smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001022096487 790989010 /nfs/dbraw/zinc/98/90/10/790989010.db2.gz FEFNAGDHABCOOA-BETUJISGSA-N 2 0 289.383 -0.072 20 30 CBEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175255 805849361 /nfs/dbraw/zinc/84/93/61/805849361.db2.gz XLJDUGYAWMGVFG-YNEHKIRRSA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@H]2O)CC1 ZINC001078227361 805860889 /nfs/dbraw/zinc/86/08/89/805860889.db2.gz WJHHHSBPIVMLKU-HUUCEWRRSA-N 2 0 293.411 -0.097 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999889 814928831 /nfs/dbraw/zinc/92/88/31/814928831.db2.gz HHAFJPFLFKVGGB-LBPRGKRZSA-N 2 0 294.399 -0.521 20 30 CBEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053268 806480273 /nfs/dbraw/zinc/48/02/73/806480273.db2.gz XLJDUGYAWMGVFG-XQQFMLRXSA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2CCO)CC1 ZINC001085986635 806632187 /nfs/dbraw/zinc/63/21/87/806632187.db2.gz JOKLLRDJDDRCMG-HNNXBMFYSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001026045279 798987764 /nfs/dbraw/zinc/98/77/64/798987764.db2.gz XSTOZCQVQVOQGZ-QSLWVIQJSA-N 2 0 261.369 -0.136 20 30 CBEDRP C=CCCN1CCO[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325868 799892278 /nfs/dbraw/zinc/89/22/78/799892278.db2.gz DLJAWXASIAQJTE-ZIAGYGMSSA-N 2 0 297.399 -0.290 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2CCCO)CC1 ZINC001039042608 801283158 /nfs/dbraw/zinc/28/31/58/801283158.db2.gz UTCGLAZDRBBXLB-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047528825 801893431 /nfs/dbraw/zinc/89/34/31/801893431.db2.gz DFBMDNDPEFFDFC-RDBSUJKOSA-N 2 0 279.384 -0.535 20 30 CBEDRP OC[C@H]1[C@@H]2C[NH+](CC#CC[N@H+]3C[C@H]4[C@H](CO)[C@H]4C3)C[C@H]12 ZINC001117683577 812430969 /nfs/dbraw/zinc/43/09/69/812430969.db2.gz YAVJWTHYNHMZFL-FRMPLNAESA-N 2 0 276.380 -0.670 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H]([NH2+]CCO)C1 ZINC001122176428 813127827 /nfs/dbraw/zinc/12/78/27/813127827.db2.gz XLDTVSGCONQTBB-CQSZACIVSA-N 2 0 279.384 -0.438 20 30 CBEDRP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133290935 814237297 /nfs/dbraw/zinc/23/72/97/814237297.db2.gz FHQAUNRMQMSUBL-UHFFFAOYSA-N 2 0 296.415 -0.156 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)O)CC1 ZINC001322088798 803857871 /nfs/dbraw/zinc/85/78/71/803857871.db2.gz OOJGJDZIAOYGDK-QWHCGFSZSA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001325109630 804240737 /nfs/dbraw/zinc/24/07/37/804240737.db2.gz FQLPUDKFRDHPRV-HIFRSBDPSA-N 2 0 279.384 -0.343 20 30 CBEDRP COCC#CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001151536447 815081863 /nfs/dbraw/zinc/08/18/63/815081863.db2.gz QACCFXNLPHLBCP-ZIAGYGMSSA-N 2 0 281.400 -0.166 20 30 CBEDRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152136350 815106552 /nfs/dbraw/zinc/10/65/52/815106552.db2.gz AFYHSMQPUUAEIY-TXEJJXNPSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](O)COC)CC1 ZINC001152323868 815114996 /nfs/dbraw/zinc/11/49/96/815114996.db2.gz FPTJWOKKALILND-AWEZNQCLSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](CC)C(N)=O)CC1 ZINC001152330710 815115079 /nfs/dbraw/zinc/11/50/79/815115079.db2.gz TUDYCLCXRKSTQT-ZDUSSCGKSA-N 2 0 294.399 -0.699 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152452286 815122365 /nfs/dbraw/zinc/12/23/65/815122365.db2.gz ZLOPWHXHNUVZHY-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152452285 815122426 /nfs/dbraw/zinc/12/24/26/815122426.db2.gz ZLOPWHXHNUVZHY-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP N#Cc1c2c(cnc1N(CC[NH3+])CCO)C[NH2+]CCC2 ZINC001155948407 815324448 /nfs/dbraw/zinc/32/44/48/815324448.db2.gz QLQLWLQQKMNDEM-UHFFFAOYSA-N 2 0 275.356 -0.254 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091957 810241516 /nfs/dbraw/zinc/24/15/16/810241516.db2.gz UJKAAGQGXCXHER-LJISPDSOSA-N 2 0 291.395 -0.033 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086371717 810265897 /nfs/dbraw/zinc/26/58/97/810265897.db2.gz UJKAAGQGXCXHER-TUVASFSCSA-N 2 0 291.395 -0.033 20 30 CBEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730081 810559649 /nfs/dbraw/zinc/55/96/49/810559649.db2.gz FWPKHKLFAHUHFM-CHWSQXEVSA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001098561130 810852249 /nfs/dbraw/zinc/85/22/49/810852249.db2.gz SVSJURHDXBYCSB-CQSZACIVSA-N 2 0 293.411 -0.143 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973469 810981966 /nfs/dbraw/zinc/98/19/66/810981966.db2.gz DPLOELCLOJTLFX-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987241 810985783 /nfs/dbraw/zinc/98/57/83/810985783.db2.gz WULYARUPHUABHG-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=CCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074721 811015657 /nfs/dbraw/zinc/01/56/57/811015657.db2.gz RHPDTLAVOSZIRF-UONOGXRCSA-N 2 0 299.415 -0.308 20 30 CBEDRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)NO ZINC001157303380 815420995 /nfs/dbraw/zinc/42/09/95/815420995.db2.gz GSPXNUHBNLDLTR-IUCAKERBSA-N 2 0 292.405 -0.958 20 30 CBEDRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCCC[NH3+])C(=O)NO ZINC001157304180 815421532 /nfs/dbraw/zinc/42/15/32/815421532.db2.gz UXBRWYRMUDZZTA-UWVGGRQHSA-N 2 0 274.365 -0.521 20 30 CBEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001118087742 812468265 /nfs/dbraw/zinc/46/82/65/812468265.db2.gz FEIXKWHMKJYZDL-HUUCEWRRSA-N 2 0 297.447 -0.582 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507034 815536126 /nfs/dbraw/zinc/53/61/26/815536126.db2.gz OOGIYDMDMPBNFS-KGLIPLIRSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507060 815536362 /nfs/dbraw/zinc/53/63/62/815536362.db2.gz OYUQMBPPQZLQIG-ZIAGYGMSSA-N 2 0 279.384 -0.031 20 30 CBEDRP CC[NH+]1CCN(CC[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC001120482104 812973117 /nfs/dbraw/zinc/97/31/17/812973117.db2.gz WHQUGDGVWUWLME-OAHLLOKOSA-N 2 0 297.447 -0.580 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC001120536612 812985236 /nfs/dbraw/zinc/98/52/36/812985236.db2.gz PJLCVDGAIVWICA-CQSZACIVSA-N 2 0 296.415 -0.039 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)CN1CCC(CO)CC1 ZINC001120678331 813010763 /nfs/dbraw/zinc/01/07/63/813010763.db2.gz CZKDGAWFKDLDHG-UHFFFAOYSA-N 2 0 267.373 -0.628 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001122288380 813141169 /nfs/dbraw/zinc/14/11/69/813141169.db2.gz JFGLMJAPPUFSAX-GFCCVEGCSA-N 2 0 254.378 -0.309 20 30 CBEDRP COCC[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001122313047 813144467 /nfs/dbraw/zinc/14/44/67/813144467.db2.gz LEPLDNSRHCZTKX-AWEZNQCLSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124836388 813484942 /nfs/dbraw/zinc/48/49/42/813484942.db2.gz GFUXHYBHWXMVTB-NSHDSACASA-N 2 0 268.361 -0.911 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127066355 813709051 /nfs/dbraw/zinc/70/90/51/813709051.db2.gz MEQFNSAOJKVYER-ZDUSSCGKSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127695525 813740874 /nfs/dbraw/zinc/74/08/74/813740874.db2.gz PKVIIBHIIAVSAZ-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784830 813749108 /nfs/dbraw/zinc/74/91/08/813749108.db2.gz BSQIXABQJRSGIS-OLZOCXBDSA-N 2 0 265.357 -0.421 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949980 813883171 /nfs/dbraw/zinc/88/31/71/813883171.db2.gz NBPMIHZQFGIGCM-STQMWFEESA-N 2 0 296.415 -0.584 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995303 814206782 /nfs/dbraw/zinc/20/67/82/814206782.db2.gz QXAXOBMIMJDFIG-GFCCVEGCSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286006 814235339 /nfs/dbraw/zinc/23/53/39/814235339.db2.gz SEFYKUYRBZSLGB-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434317 814253013 /nfs/dbraw/zinc/25/30/13/814253013.db2.gz NBPMIHZQFGIGCM-CHWSQXEVSA-N 2 0 296.415 -0.584 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849630 814307533 /nfs/dbraw/zinc/30/75/33/814307533.db2.gz AYVHZEMGEYJXRX-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899614 814320088 /nfs/dbraw/zinc/32/00/88/814320088.db2.gz OTTHHSCZHUSMJE-UHFFFAOYSA-N 2 0 298.431 -0.028 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001133966259 814330601 /nfs/dbraw/zinc/33/06/01/814330601.db2.gz ZVGNXUMUENZPNI-OLZOCXBDSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135371836 814470219 /nfs/dbraw/zinc/47/02/19/814470219.db2.gz JLZZMTCKUCWOPT-QWHCGFSZSA-N 2 0 296.415 -0.440 20 30 CBEDRP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+](C)C ZINC001135373429 814470916 /nfs/dbraw/zinc/47/09/16/814470916.db2.gz WGOWJQGPFOAPCF-VXGBXAGGSA-N 2 0 297.403 -0.549 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[NH+](CC)CC)C1=O ZINC001135510654 814478759 /nfs/dbraw/zinc/47/87/59/814478759.db2.gz DQCWSDKDUDQNRJ-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP CC[NH+](CC)CC(=O)NCC[NH2+]CC#CCOC ZINC001135511700 814481656 /nfs/dbraw/zinc/48/16/56/814481656.db2.gz ZFOGHFPVTLIMRT-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711031 814843861 /nfs/dbraw/zinc/84/38/61/814843861.db2.gz NLQPLKJVNKQTQH-GFCCVEGCSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900122 814923835 /nfs/dbraw/zinc/92/38/35/814923835.db2.gz HZVPPUNUYJRHGJ-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160432446 815620886 /nfs/dbraw/zinc/62/08/86/815620886.db2.gz WHUAXHARIXTVHA-CYBMUJFWSA-N 2 0 266.389 -0.357 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N(CCOC)C1CC[NH+](C)CC1 ZINC001160438730 815621825 /nfs/dbraw/zinc/62/18/25/815621825.db2.gz BRAMCIUUNILCPM-AWEZNQCLSA-N 2 0 267.373 -0.094 20 30 CBEDRP N#CCCN1CCN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160482827 815627925 /nfs/dbraw/zinc/62/79/25/815627925.db2.gz ASTDTZMXPXQCDR-ZDUSSCGKSA-N 2 0 281.404 -0.109 20 30 CBEDRP N#CCCN1CCN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160483170 815628279 /nfs/dbraw/zinc/62/82/79/815628279.db2.gz FNSAONHTMVXQHC-CYBMUJFWSA-N 2 0 279.388 -0.629 20 30 CBEDRP N#C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160640678 815648546 /nfs/dbraw/zinc/64/85/46/815648546.db2.gz LFWXMUUZNUMRMU-OUCADQQQSA-N 2 0 262.357 -0.052 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160651535 815653078 /nfs/dbraw/zinc/65/30/78/815653078.db2.gz PMQSKQCHUQHWPQ-MNOVXSKESA-N 2 0 253.350 -0.973 20 30 CBEDRP N#C[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160880521 815684219 /nfs/dbraw/zinc/68/42/19/815684219.db2.gz YMNSVFWKNYZOJV-NEPJUHHUSA-N 2 0 278.356 -0.388 20 30 CBEDRP N#C[C@H]1COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160933723 815688908 /nfs/dbraw/zinc/68/89/08/815688908.db2.gz NQAHBWMWWJIRIQ-QWRGUYRKSA-N 2 0 252.318 -0.936 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@H](N2CCC([NH3+])CC2)C1 ZINC001161379397 815748943 /nfs/dbraw/zinc/74/89/43/815748943.db2.gz OOMWHCQDUHDFIP-JSGCOSHPSA-N 2 0 264.373 -0.639 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N(CC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC001161445286 815755744 /nfs/dbraw/zinc/75/57/44/815755744.db2.gz OEBLIVNZJRHUFZ-OCCSQVGLSA-N 3 0 266.389 -0.521 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161479808 815758323 /nfs/dbraw/zinc/75/83/23/815758323.db2.gz MCXMUWXKRQHXER-LEWSCRJBSA-N 2 0 279.340 -0.909 20 30 CBEDRP N#CCc1cc(N[C@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163252167 815874727 /nfs/dbraw/zinc/87/47/27/815874727.db2.gz FWGPHPYSJYCFNZ-AAEUAGOBSA-N 2 0 257.297 -0.440 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575048 817221108 /nfs/dbraw/zinc/22/11/08/817221108.db2.gz SONUFDNMMJJYIE-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320231363 817299707 /nfs/dbraw/zinc/29/97/07/817299707.db2.gz MJEVAMIZTHRRNU-FRRDWIJNSA-N 2 0 269.389 -0.031 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001320233181 817300264 /nfs/dbraw/zinc/30/02/64/817300264.db2.gz GBQNMQPNZWPBJU-NEPJUHHUSA-N 2 0 257.378 -0.175 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320295421 817317349 /nfs/dbraw/zinc/31/73/49/817317349.db2.gz JBIBCCXHHZDQMK-VXGBXAGGSA-N 2 0 253.346 -0.972 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165781734 819983352 /nfs/dbraw/zinc/98/33/52/819983352.db2.gz YGLDXUCRJTVESI-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)CC[NH+](C)C)C1=O ZINC001165781733 819983884 /nfs/dbraw/zinc/98/38/84/819983884.db2.gz YGLDXUCRJTVESI-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794220 819983960 /nfs/dbraw/zinc/98/39/60/819983960.db2.gz NFMOFELQBVDHCE-UHFFFAOYSA-N 2 0 270.377 -0.664 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788540 819983985 /nfs/dbraw/zinc/98/39/85/819983985.db2.gz QELQKTJURQHRHF-LBPRGKRZSA-N 2 0 282.388 -0.828 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165794268 819984015 /nfs/dbraw/zinc/98/40/15/819984015.db2.gz PNHXQOCUXWJHOJ-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668358 820012729 /nfs/dbraw/zinc/01/27/29/820012729.db2.gz ZSYJUTWNOXDBHZ-CYBMUJFWSA-N 2 0 294.399 -0.827 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001166714164 820017863 /nfs/dbraw/zinc/01/78/63/820017863.db2.gz HCYALXDLVYSJPV-UONOGXRCSA-N 2 0 281.400 -0.070 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001166714161 820019993 /nfs/dbraw/zinc/01/99/93/820019993.db2.gz HCYALXDLVYSJPV-KGLIPLIRSA-N 2 0 281.400 -0.070 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170212469 820282434 /nfs/dbraw/zinc/28/24/34/820282434.db2.gz ZZAWGIFBTRSGBU-UHFFFAOYSA-N 2 0 284.404 -0.274 20 30 CBEDRP C=CC(N[C@@H]1C[NH2+]C[C@H]1C(=O)OCC)=[NH+]COC ZINC001170867907 820331788 /nfs/dbraw/zinc/33/17/88/820331788.db2.gz MNOOFPBNHBQREP-NXEZZACHSA-N 2 0 255.318 -0.085 20 30 CBEDRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171219464 820350214 /nfs/dbraw/zinc/35/02/14/820350214.db2.gz XKLIOXUKYZVBPD-GFCCVEGCSA-N 2 0 295.387 -0.936 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171303665 820356424 /nfs/dbraw/zinc/35/64/24/820356424.db2.gz VVXZLFCGYMZMDK-UHFFFAOYSA-N 2 0 294.399 -0.520 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176102183 820439708 /nfs/dbraw/zinc/43/97/08/820439708.db2.gz CAESKKIESHJSKX-UHFFFAOYSA-N 2 0 267.373 -0.172 20 30 CBEDRP C=CC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115222 821212966 /nfs/dbraw/zinc/21/29/66/821212966.db2.gz GWXWCMFVMVYLCB-GFCCVEGCSA-N 2 0 255.362 -0.059 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001279710774 828335717 /nfs/dbraw/zinc/33/57/17/828335717.db2.gz CRQYZNHYTFHRNJ-CQSZACIVSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001279746582 828337706 /nfs/dbraw/zinc/33/77/06/828337706.db2.gz NCGNZYHOGLLDCJ-CYBMUJFWSA-N 2 0 267.373 -0.486 20 30 CBEDRP C#CC[NH2+]CCCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001283470394 828520564 /nfs/dbraw/zinc/52/05/64/828520564.db2.gz BIIKJJXQANISBV-UHFFFAOYSA-N 2 0 279.384 -0.172 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001283816350 828552151 /nfs/dbraw/zinc/55/21/51/828552151.db2.gz PDGVJEHIZNGJGR-CYBMUJFWSA-N 2 0 299.415 -0.260 20 30 CBEDRP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283827746 828554402 /nfs/dbraw/zinc/55/44/02/828554402.db2.gz REJMHFAWQIYMMI-CHWSQXEVSA-N 2 0 269.389 -0.029 20 30 CBEDRP C=CCCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283827748 828554599 /nfs/dbraw/zinc/55/45/99/828554599.db2.gz REJMHFAWQIYMMI-QWHCGFSZSA-N 2 0 269.389 -0.029 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001284457850 828598836 /nfs/dbraw/zinc/59/88/36/828598836.db2.gz XXLKUTANLUNGNG-VXGBXAGGSA-N 2 0 257.378 -0.079 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001284436968 828595589 /nfs/dbraw/zinc/59/55/89/828595589.db2.gz VRUJMGCYSMKRLD-LBPRGKRZSA-N 2 0 269.389 -0.077 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001284456125 828598754 /nfs/dbraw/zinc/59/87/54/828598754.db2.gz IXQSCEZIPVBHPT-QWHCGFSZSA-N 2 0 269.389 -0.077 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001284456124 828598476 /nfs/dbraw/zinc/59/84/76/828598476.db2.gz IXQSCEZIPVBHPT-OLZOCXBDSA-N 2 0 269.389 -0.077 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001284456123 828598959 /nfs/dbraw/zinc/59/89/59/828598959.db2.gz IXQSCEZIPVBHPT-CHWSQXEVSA-N 2 0 269.389 -0.077 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195677581 824127549 /nfs/dbraw/zinc/12/75/49/824127549.db2.gz TZNSOBIGXRSPQU-CHWSQXEVSA-N 2 0 279.384 -0.487 20 30 CBEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197826227 824203734 /nfs/dbraw/zinc/20/37/34/824203734.db2.gz RKAHZALOZKCVAD-CHWSQXEVSA-N 2 0 285.388 -0.698 20 30 CBEDRP C#CCC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199942971 824297569 /nfs/dbraw/zinc/29/75/69/824297569.db2.gz CFXQDNLFHDKKRH-CQSZACIVSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050166 824340732 /nfs/dbraw/zinc/34/07/32/824340732.db2.gz SOOMPEXEBHVWQB-AWEZNQCLSA-N 2 0 279.384 -0.078 20 30 CBEDRP C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202316387 824346664 /nfs/dbraw/zinc/34/66/64/824346664.db2.gz ZROXGVRSUQBVKO-UHFFFAOYSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CC[NH2+][C@@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210677812 824480472 /nfs/dbraw/zinc/48/04/72/824480472.db2.gz PSLDONAVJMIVOW-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832281 824562045 /nfs/dbraw/zinc/56/20/45/824562045.db2.gz NNPWZUWUICBYJV-KVSVUVNWSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#Cc1cnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001218504711 824573419 /nfs/dbraw/zinc/57/34/19/824573419.db2.gz RTLUHAVHXNMENN-QMMMGPOBSA-N 2 0 266.330 -0.694 20 30 CBEDRP Cc1noc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1C#N ZINC001218503488 824573562 /nfs/dbraw/zinc/57/35/62/824573562.db2.gz NVELFYIUOPJRMF-SECBINFHSA-N 2 0 261.285 -0.398 20 30 CBEDRP C#Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)ccn1 ZINC001218519762 824581375 /nfs/dbraw/zinc/58/13/75/824581375.db2.gz DQNMJYSQXWMLLI-IAQYHMDHSA-N 2 0 270.336 -0.378 20 30 CBEDRP N#Cc1nc[nH]c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218595442 824602480 /nfs/dbraw/zinc/60/24/80/824602480.db2.gz NGGRHIUPLYRKRN-LURJTMIESA-N 2 0 254.319 -0.761 20 30 CBEDRP Cc1nc(C#N)c(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001218650297 824615883 /nfs/dbraw/zinc/61/58/83/824615883.db2.gz XTSJJPGOMKQGNK-SNVBAGLBSA-N 2 0 292.343 -0.456 20 30 CBEDRP N#Cc1cc[nH]c1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218655744 824617266 /nfs/dbraw/zinc/61/72/66/824617266.db2.gz IZMKKQGOXCEIOF-NSHDSACASA-N 2 0 276.344 -0.425 20 30 CBEDRP N#Cc1c(N)nn(C(=O)c2ccc([C@H](N)C[NH3+])cc2)c1N ZINC001218660704 824618235 /nfs/dbraw/zinc/61/82/35/824618235.db2.gz QQDGLQPGTFQWNW-SNVBAGLBSA-N 2 0 285.311 -0.434 20 30 CBEDRP O=C(NC1=CC(=O)CCC1)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219885269 824909504 /nfs/dbraw/zinc/90/95/04/824909504.db2.gz MKHGIVQLYVKMIG-QMTHXVAHSA-N 2 0 263.341 -0.061 20 30 CBEDRP N#CN=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccncc1 ZINC001219972350 824926203 /nfs/dbraw/zinc/92/62/03/824926203.db2.gz OAICJQVCLSCQAF-JTQLQIEISA-N 2 0 260.301 -0.508 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220043473 824941827 /nfs/dbraw/zinc/94/18/27/824941827.db2.gz STSLRBKUUBXHNY-LBPRGKRZSA-N 2 0 282.388 -0.488 20 30 CBEDRP N#CCCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220191425 824984972 /nfs/dbraw/zinc/98/49/72/824984972.db2.gz IHYFWLJVORBPGL-GFCCVEGCSA-N 2 0 267.377 -0.453 20 30 CBEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220498436 825049553 /nfs/dbraw/zinc/04/95/53/825049553.db2.gz GRPNPPBVKQCVDD-MNOVXSKESA-N 2 0 294.355 -0.568 20 30 CBEDRP COC(=O)c1ccc(C(=[NH2+])NC(O)=C2C[C@@H]([NH3+])CN2)cc1 ZINC001220579110 825069596 /nfs/dbraw/zinc/06/95/96/825069596.db2.gz DYENXJLKSKKVQG-MNOVXSKESA-N 2 0 290.323 -0.606 20 30 CBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NC1=C(C(=O)OCC)C[NH2+]C1 ZINC001220827005 825107336 /nfs/dbraw/zinc/10/73/36/825107336.db2.gz FBPWIISYAQZOHQ-AMIZOPFISA-N 2 0 265.313 -0.574 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220868063 825114807 /nfs/dbraw/zinc/11/48/07/825114807.db2.gz AGFSFLBIOLLASE-RYUDHWBXSA-N 3 0 254.378 -0.181 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]12CC[C@@H](N1)[C@H]([NH3+])C2 ZINC001220868668 825117673 /nfs/dbraw/zinc/11/76/73/825117673.db2.gz OEIVNKHMTDGTSJ-JLNYLFASSA-N 2 0 278.400 -0.025 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976422 825132463 /nfs/dbraw/zinc/13/24/63/825132463.db2.gz YUKWMSXTFBDZLB-MCIONIFRSA-N 2 0 297.399 -0.698 20 30 CBEDRP N#CC1(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)Cc2ccccc2C1 ZINC001221367329 825176472 /nfs/dbraw/zinc/17/64/72/825176472.db2.gz PQCKFRQCHFFHHT-AWEZNQCLSA-N 2 0 296.374 -0.027 20 30 CBEDRP C[C@H](C#N)S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239070 825549101 /nfs/dbraw/zinc/54/91/01/825549101.db2.gz BMNMHFUPUWCABL-GHMZBOCLSA-N 2 0 286.401 -0.308 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246007139 825620508 /nfs/dbraw/zinc/62/05/08/825620508.db2.gz JCGOIYNUJJWGGC-MNOVXSKESA-N 2 0 259.350 -0.878 20 30 CBEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246021521 825624864 /nfs/dbraw/zinc/62/48/64/825624864.db2.gz NQXNXTFPFADLBW-QWHCGFSZSA-N 2 0 256.346 -0.827 20 30 CBEDRP C=CCOC[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028098 825625647 /nfs/dbraw/zinc/62/56/47/825625647.db2.gz ZYAJICSCFWORIS-OLZOCXBDSA-N 2 0 258.362 -0.274 20 30 CBEDRP C=C[C@@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246048492 825629496 /nfs/dbraw/zinc/62/94/96/825629496.db2.gz XWJVNUXMHZGPJP-VVSAWPALSA-N 2 0 280.368 -0.136 20 30 CBEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246555037 825684099 /nfs/dbraw/zinc/68/40/99/825684099.db2.gz ARFGNMCIUOKEGP-RWMBFGLXSA-N 2 0 252.362 -0.194 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001251821398 825789761 /nfs/dbraw/zinc/78/97/61/825789761.db2.gz NRBCZPQROQDFNV-CQSZACIVSA-N 2 0 269.389 -0.824 20 30 CBEDRP C#CCOC[C@@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001251843616 825794164 /nfs/dbraw/zinc/79/41/64/825794164.db2.gz KVPDIWWRIFPKJZ-HRCADAONSA-N 2 0 295.427 -0.293 20 30 CBEDRP C#CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001263178233 826749418 /nfs/dbraw/zinc/74/94/18/826749418.db2.gz GXHZYOQNGQIUQH-RKDXNWHRSA-N 2 0 263.263 -0.195 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001263193131 826753269 /nfs/dbraw/zinc/75/32/69/826753269.db2.gz CCSGONGCLWEJRQ-RKDXNWHRSA-N 2 0 263.263 -0.053 20 30 CBEDRP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264430525 826810498 /nfs/dbraw/zinc/81/04/98/826810498.db2.gz DWIRFOAURXSTNH-HAQNSBGRSA-N 2 0 295.387 -0.938 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265489802 826900214 /nfs/dbraw/zinc/90/02/14/826900214.db2.gz SZYICGPSMIIKLF-JHJVBQTASA-N 2 0 294.399 -0.380 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001265870165 826932226 /nfs/dbraw/zinc/93/22/26/826932226.db2.gz KMXLZYJCKNGHSR-NEPJUHHUSA-N 2 0 294.399 -0.700 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001265895467 826935603 /nfs/dbraw/zinc/93/56/03/826935603.db2.gz LZWBHMCBCPTCEB-STQMWFEESA-N 2 0 294.399 -0.427 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001266836727 827074520 /nfs/dbraw/zinc/07/45/20/827074520.db2.gz WAYDVEHMKIXZMY-LBPRGKRZSA-N 2 0 282.388 -0.876 20 30 CBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267455690 827174289 /nfs/dbraw/zinc/17/42/89/827174289.db2.gz BZCURJUWKHCGKU-GFCCVEGCSA-N 2 0 295.387 -0.984 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1ccnc1C ZINC001267468891 827175366 /nfs/dbraw/zinc/17/53/66/827175366.db2.gz DZOIYWHRSYHJNW-UHFFFAOYSA-N 2 0 293.371 -0.458 20 30 CBEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268014864 827241867 /nfs/dbraw/zinc/24/18/67/827241867.db2.gz YTVFFEICKOGMNR-UONOGXRCSA-N 2 0 281.400 -0.070 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268314810 827294274 /nfs/dbraw/zinc/29/42/74/827294274.db2.gz LSHVPXWUUCXUFH-NWDGAFQWSA-N 2 0 253.346 -0.829 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268317278 827295476 /nfs/dbraw/zinc/29/54/76/827295476.db2.gz QEMWVMVVHDUIHH-VXGBXAGGSA-N 2 0 253.346 -0.829 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268336008 827308870 /nfs/dbraw/zinc/30/88/70/827308870.db2.gz QCOMZRQMXJEESF-ZIAGYGMSSA-N 2 0 297.399 -0.955 20 30 CBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424725 827325757 /nfs/dbraw/zinc/32/57/57/827325757.db2.gz XKSODTRCJMLUNQ-NEPJUHHUSA-N 2 0 295.387 -0.938 20 30 CBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268424732 827326664 /nfs/dbraw/zinc/32/66/64/827326664.db2.gz XKSODTRCJMLUNQ-RYUDHWBXSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268673863 827399850 /nfs/dbraw/zinc/39/98/50/827399850.db2.gz LOZCMMUTKQHQDS-GFCCVEGCSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001270371504 827562217 /nfs/dbraw/zinc/56/22/17/827562217.db2.gz HXXVRDDDUSIFCB-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271208311 827676178 /nfs/dbraw/zinc/67/61/78/827676178.db2.gz IRLAFFHDFRZQDY-ZBFHGGJFSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001272307127 827778873 /nfs/dbraw/zinc/77/88/73/827778873.db2.gz LMSPDJWQWIIUOR-ZDUSSCGKSA-N 2 0 269.389 -0.075 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001272306988 827779260 /nfs/dbraw/zinc/77/92/60/827779260.db2.gz HOAWFEYRGOTVOL-ZDUSSCGKSA-N 2 0 267.373 -0.628 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)C[N@H+](C)C(C)C ZINC001272315870 827779880 /nfs/dbraw/zinc/77/98/80/827779880.db2.gz XVPZJXORBONHPZ-UHFFFAOYSA-N 2 0 269.389 -0.240 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272455742 827799766 /nfs/dbraw/zinc/79/97/66/827799766.db2.gz VNYMZGAYYYGFRK-RYUDHWBXSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001276174743 828136762 /nfs/dbraw/zinc/13/67/62/828136762.db2.gz WEZSJJFXVZIGEG-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277178206 828179148 /nfs/dbraw/zinc/17/91/48/828179148.db2.gz UANABTFOJSXSOI-LBPRGKRZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396657 828268416 /nfs/dbraw/zinc/26/84/16/828268416.db2.gz BPTGHEYDKUOADC-NWDGAFQWSA-N 2 0 295.387 -0.843 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001278736939 828278296 /nfs/dbraw/zinc/27/82/96/828278296.db2.gz DQERIBIAUARWPT-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001278798705 828290936 /nfs/dbraw/zinc/29/09/36/828290936.db2.gz SKLXRFZFKVOERL-LBPRGKRZSA-N 2 0 267.373 -0.630 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001343425729 889907260 /nfs/dbraw/zinc/90/72/60/889907260.db2.gz VPJNBTJGFMGKIZ-WCQYABFASA-N 2 0 269.389 -0.031 20 30 CBEDRP C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001210314970 884762055 /nfs/dbraw/zinc/76/20/55/884762055.db2.gz HMBIMACWIVUAHE-CHWSQXEVSA-N 2 0 267.373 -0.366 20 30 CBEDRP C=CCOCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378615 884779103 /nfs/dbraw/zinc/77/91/03/884779103.db2.gz ZATWIBDXCIZNKY-ZIAGYGMSSA-N 2 0 299.415 -0.044 20 30 CBEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278821686 884820299 /nfs/dbraw/zinc/82/02/99/884820299.db2.gz MHFWSPQKAKBCAL-TZMCWYRMSA-N 2 0 267.373 -0.323 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326979172 885209675 /nfs/dbraw/zinc/20/96/75/885209675.db2.gz NSUPYALRQTWLFL-CABCVRRESA-N 2 0 291.395 -0.222 20 30 CBEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC001327131433 885268469 /nfs/dbraw/zinc/26/84/69/885268469.db2.gz RHDOEUFFDCWYBG-SDDRHHMPSA-N 2 0 268.361 -0.028 20 30 CBEDRP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001328388391 885665946 /nfs/dbraw/zinc/66/59/46/885665946.db2.gz DTBDFFPHJPFDKV-NWDGAFQWSA-N 2 0 295.387 -0.795 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NCCC[NH+]1CCC(O)CC1 ZINC001330590489 886489094 /nfs/dbraw/zinc/48/90/94/886489094.db2.gz ALIWEKPZKBXGRR-UHFFFAOYSA-N 2 0 293.411 -0.048 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001331630781 886873179 /nfs/dbraw/zinc/87/31/79/886873179.db2.gz JQFCRXRMFYVAES-OLZOCXBDSA-N 2 0 296.415 -0.323 20 30 CBEDRP CC[C@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)[NH+](C)C ZINC001331824744 887000219 /nfs/dbraw/zinc/00/02/19/887000219.db2.gz KEELNZWCHQQICQ-CHWSQXEVSA-N 2 0 285.388 -0.957 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)CC[N@@H+](C)CC ZINC001331824441 887002821 /nfs/dbraw/zinc/00/28/21/887002821.db2.gz INUZGCFOJAGUNN-GFCCVEGCSA-N 2 0 255.362 -0.582 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H](C[NH3+])C1CC1)C2 ZINC001331956972 887062036 /nfs/dbraw/zinc/06/20/36/887062036.db2.gz HECZUYVQBFGZNI-BEVNXUHPSA-N 2 0 262.357 -0.021 20 30 CBEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332664553 887397339 /nfs/dbraw/zinc/39/73/39/887397339.db2.gz VGDICYMWGPYBFW-UONOGXRCSA-N 2 0 283.416 -0.043 20 30 CBEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@@H]1CC[NH2+]C1 ZINC001333632262 887726361 /nfs/dbraw/zinc/72/63/61/887726361.db2.gz XDLHPBPNPYGHBC-MRFPXMQZSA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCN1CC[NH+](CC)CC1 ZINC001335383896 888520602 /nfs/dbraw/zinc/52/06/02/888520602.db2.gz JEVPKPKGBBQXEJ-UHFFFAOYSA-N 2 0 280.416 -0.257 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)COC1CCOCC1 ZINC001336770942 888874812 /nfs/dbraw/zinc/87/48/12/888874812.db2.gz MXYALRMNHBESOB-ZDUSSCGKSA-N 2 0 270.373 -0.303 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC001336770940 888876360 /nfs/dbraw/zinc/87/63/60/888876360.db2.gz MXYALRMNHBESOB-CYBMUJFWSA-N 2 0 270.373 -0.303 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001340267591 889417977 /nfs/dbraw/zinc/41/79/77/889417977.db2.gz UHJRWYGPNXYKND-PWSUYJOCSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340617859 889457211 /nfs/dbraw/zinc/45/72/11/889457211.db2.gz ZEUWOPRXUXDUIU-IUCAKERBSA-N 2 0 259.737 -0.297 20 30 CBEDRP C#CCNCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC001340874027 889504889 /nfs/dbraw/zinc/50/48/89/889504889.db2.gz WZIXGWGFWWTIIH-UHFFFAOYSA-N 2 0 265.357 -0.468 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341240621 889562436 /nfs/dbraw/zinc/56/24/36/889562436.db2.gz UNIYAUZWUGSEHG-MWLCHTKSSA-N 2 0 261.753 -0.232 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001342724055 889820483 /nfs/dbraw/zinc/82/04/83/889820483.db2.gz SDHFTXIXEGAWNL-YPMHNXCESA-N 2 0 255.362 -0.018 20 30 CBEDRP C[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC001346089792 890213377 /nfs/dbraw/zinc/21/33/77/890213377.db2.gz XIFZVSDKWHTNCR-OLZOCXBDSA-N 2 0 281.404 -0.240 20 30 CBEDRP C[NH2+]CCOCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001349816522 890897892 /nfs/dbraw/zinc/89/78/92/890897892.db2.gz PDRTUKCTXAPGQE-OWYJLGKBSA-N 2 0 294.399 -0.180 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001354016319 891498981 /nfs/dbraw/zinc/49/89/81/891498981.db2.gz SQDHLLGORJIGPS-UHFFFAOYSA-N 2 0 266.389 -0.438 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001357911222 891944289 /nfs/dbraw/zinc/94/42/89/891944289.db2.gz VHFYEEZNSXQKEE-NSHDSACASA-N 2 0 253.346 -0.129 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001401575858 902173753 /nfs/dbraw/zinc/17/37/53/902173753.db2.gz GLYOGRQHFQLLRM-NSHDSACASA-N 2 0 287.791 -0.099 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001502600406 921371714 /nfs/dbraw/zinc/37/17/14/921371714.db2.gz UVWGTZYFCAWPEY-ZFWWWQNUSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001506896679 921636959 /nfs/dbraw/zinc/63/69/59/921636959.db2.gz TUHINWUQZDROFN-JOCQHMNTSA-N 2 0 294.399 -0.828 20 30 CBEDRP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063601 921665282 /nfs/dbraw/zinc/66/52/82/921665282.db2.gz RUDJUMJSGOHKIL-RYUDHWBXSA-N 2 0 295.387 -0.843 20 30 CBEDRP C=CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001507182161 921719466 /nfs/dbraw/zinc/71/94/66/921719466.db2.gz HJBFXWKNHLLHET-RYUDHWBXSA-N 2 0 255.362 -0.277 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001507200644 921736552 /nfs/dbraw/zinc/73/65/52/921736552.db2.gz BURGNVPTYFXOSY-KGLIPLIRSA-N 2 0 299.415 -0.711 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507233718 921766676 /nfs/dbraw/zinc/76/66/76/921766676.db2.gz TYUFVYZXJOKLSU-NWDGAFQWSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CC[NH+](C)CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC001477869474 916019200 /nfs/dbraw/zinc/01/92/00/916019200.db2.gz YMJGDLJYJXXDAD-AWEZNQCLSA-N 2 0 295.431 -0.514 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001479394021 916129122 /nfs/dbraw/zinc/12/91/22/916129122.db2.gz SSMKFTYUZVUUID-JOCQHMNTSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCN1CC[NH+](CCCNC(=O)CC[NH+](C)C)CC1 ZINC001479922092 916214881 /nfs/dbraw/zinc/21/48/81/916214881.db2.gz PTIWZIGQSMYNJR-UHFFFAOYSA-N 2 0 280.416 -0.305 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480122210 916296196 /nfs/dbraw/zinc/29/61/96/916296196.db2.gz WBZLRCCVPGDSOS-ZDUSSCGKSA-N 2 0 294.399 -0.734 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001480530502 916458306 /nfs/dbraw/zinc/45/83/06/916458306.db2.gz IMBYYXDMCDHOHB-NEPJUHHUSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482587171 917168257 /nfs/dbraw/zinc/16/82/57/917168257.db2.gz AFDRAUDPGKZEIQ-GFCCVEGCSA-N 2 0 255.362 -0.107 20 30 CBEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001482650061 917196975 /nfs/dbraw/zinc/19/69/75/917196975.db2.gz RNGSIRQTSMFKDS-CQSZACIVSA-N 2 0 281.400 -0.022 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482742529 917246708 /nfs/dbraw/zinc/24/67/08/917246708.db2.gz RWRFWUOCSLHLAC-STQMWFEESA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCOC)CC1 ZINC001482798668 917291425 /nfs/dbraw/zinc/29/14/25/917291425.db2.gz JAXWSMCGAZFGKI-AWEZNQCLSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482913723 917335455 /nfs/dbraw/zinc/33/54/55/917335455.db2.gz BIPVBKXJUNMFEB-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484208064 917763395 /nfs/dbraw/zinc/76/33/95/917763395.db2.gz LGPUPFFPXBIVQT-HIFRSBDPSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001484490957 917872311 /nfs/dbraw/zinc/87/23/11/917872311.db2.gz JABIJIDQWIPCGG-KBPBESRZSA-N 2 0 281.400 -0.240 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484897341 917961935 /nfs/dbraw/zinc/96/19/35/917961935.db2.gz KBKWNQHBQHEXPM-STQMWFEESA-N 2 0 296.415 -0.323 20 30 CBEDRP C[NH+](C)CCC(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001485100627 917993715 /nfs/dbraw/zinc/99/37/15/917993715.db2.gz DUVOEEGMQIIJGU-UHFFFAOYSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485228533 918031942 /nfs/dbraw/zinc/03/19/42/918031942.db2.gz VIESKQRNHQWEGK-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485225070 918034540 /nfs/dbraw/zinc/03/45/40/918034540.db2.gz HNSQMIBUOIVRGR-NWDGAFQWSA-N 2 0 295.387 -0.795 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001486022610 918313793 /nfs/dbraw/zinc/31/37/93/918313793.db2.gz GGUJHSLQVIHDHP-ZDUSSCGKSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001486066601 918354641 /nfs/dbraw/zinc/35/46/41/918354641.db2.gz QYRWBKPXSGQLNG-AWEZNQCLSA-N 2 0 281.400 -0.048 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298422 918415847 /nfs/dbraw/zinc/41/58/47/918415847.db2.gz ORVMPYRZINNIMI-CYBMUJFWSA-N 2 0 267.373 -0.630 20 30 CBEDRP C[NH+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488770137 918764900 /nfs/dbraw/zinc/76/49/00/918764900.db2.gz DWIRFOAURXSTNH-TXEJJXNPSA-N 2 0 295.387 -0.938 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001490841520 918977097 /nfs/dbraw/zinc/97/70/97/918977097.db2.gz SKKLZPGHUCOJEG-LBPRGKRZSA-N 2 0 282.388 -0.569 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001491080583 919025402 /nfs/dbraw/zinc/02/54/02/919025402.db2.gz QCRXCUYZZNMPFH-BETUJISGSA-N 2 0 294.399 -0.687 20 30 CBEDRP C=CCN1CC[C@H]([NH2+][C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568730 919207360 /nfs/dbraw/zinc/20/73/60/919207360.db2.gz MKXJOJMHLPOXTC-OLZOCXBDSA-N 2 0 296.415 -0.181 20 30 CBEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640786 919243202 /nfs/dbraw/zinc/24/32/02/919243202.db2.gz MCRVQAOBRMYSIR-ZDUSSCGKSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001493501871 919564268 /nfs/dbraw/zinc/56/42/68/919564268.db2.gz XTYIPEKJSHHWQV-LBPRGKRZSA-N 2 0 282.388 -0.569 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001493501870 919564853 /nfs/dbraw/zinc/56/48/53/919564853.db2.gz XTYIPEKJSHHWQV-GFCCVEGCSA-N 2 0 282.388 -0.569 20 30 CBEDRP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001495576011 919906344 /nfs/dbraw/zinc/90/63/44/919906344.db2.gz OGXPZVUASNXVSC-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149835 920033336 /nfs/dbraw/zinc/03/33/36/920033336.db2.gz NFUWAHVCTLTRSM-OLZOCXBDSA-N 2 0 296.415 -0.488 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496978941 920190981 /nfs/dbraw/zinc/19/09/81/920190981.db2.gz LZHQXVGRBVJMEV-JHJVBQTASA-N 2 0 267.373 -0.583 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497046253 920228143 /nfs/dbraw/zinc/22/81/43/920228143.db2.gz IBYUUKHWKQRXOH-QWHCGFSZSA-N 2 0 269.389 -0.337 20 30 CBEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001497991425 920433991 /nfs/dbraw/zinc/43/39/91/920433991.db2.gz QNOOCWAOVHRRIY-OLZOCXBDSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498060059 920462970 /nfs/dbraw/zinc/46/29/70/920462970.db2.gz LYFRFRFIASJABN-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1ccnc1 ZINC001498661772 920622664 /nfs/dbraw/zinc/62/26/64/920622664.db2.gz YQFRIRYGOZMCAX-UHFFFAOYSA-N 2 0 291.355 -0.929 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507502325 921861701 /nfs/dbraw/zinc/86/17/01/921861701.db2.gz ILKOYRRVEWRPNQ-CYBMUJFWSA-N 2 0 269.389 -0.077 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001521504589 922359894 /nfs/dbraw/zinc/35/98/94/922359894.db2.gz YVNVAOGMLCVFAN-AWEZNQCLSA-N 2 0 278.400 -0.552 20 30 CBEDRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001523587271 922601376 /nfs/dbraw/zinc/60/13/76/922601376.db2.gz UDDJNLBAMRSLDJ-GHMZBOCLSA-N 2 0 254.334 -0.546 20 30 CBEDRP C=CCNC(=O)C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000063179612 351580688 /nfs/dbraw/zinc/58/06/88/351580688.db2.gz WZBROZTXECFTPG-LLVKDONJSA-N 2 0 268.361 -0.925 20 30 CBEDRP CN(CCC[N@H+](C)CC(=O)NCC#N)CC[NH+](C)C ZINC000344026942 353303251 /nfs/dbraw/zinc/30/32/51/353303251.db2.gz KEMXPZCSLYYXBE-UHFFFAOYSA-N 2 0 269.393 -0.559 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000491339650 354455219 /nfs/dbraw/zinc/45/52/19/354455219.db2.gz RKBHVLHZIXXOHY-CYBMUJFWSA-N 2 0 282.388 -0.381 20 30 CBEDRP C=CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566054827 354751431 /nfs/dbraw/zinc/75/14/31/354751431.db2.gz JYKXSQPRHCLEIZ-UHFFFAOYSA-N 2 0 284.404 -0.417 20 30 CBEDRP C=CCNC(=O)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000566302716 354762743 /nfs/dbraw/zinc/76/27/43/354762743.db2.gz NRMXMKHODYCXGV-AWEZNQCLSA-N 2 0 280.416 -0.094 20 30 CBEDRP C=CC[C@H](CO)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000569927936 354849771 /nfs/dbraw/zinc/84/97/71/354849771.db2.gz RDCRKSYYWMAXPJ-SYQHCUMBSA-N 2 0 272.389 -0.017 20 30 CBEDRP CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H](C[NH3+])C1 ZINC000594426630 355247880 /nfs/dbraw/zinc/24/78/80/355247880.db2.gz QBTIUJVIKHXYSK-NWDGAFQWSA-N 2 0 267.377 -0.501 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000594444361 355248678 /nfs/dbraw/zinc/24/86/78/355248678.db2.gz PWEOBTQMEJXCQG-UONOGXRCSA-N 2 0 293.415 -0.096 20 30 CBEDRP CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H](C[NH3+])C1 ZINC000594426629 355247640 /nfs/dbraw/zinc/24/76/40/355247640.db2.gz QBTIUJVIKHXYSK-NEPJUHHUSA-N 2 0 267.377 -0.501 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000595968948 355331252 /nfs/dbraw/zinc/33/12/52/355331252.db2.gz AHEVIOGHJLPNHT-TYNCELHUSA-N 2 0 292.383 -0.545 20 30 CBEDRP CN(CCC#N)C(=O)CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000611302352 355800712 /nfs/dbraw/zinc/80/07/12/355800712.db2.gz KXFJMAFSYOPJPH-TXEJJXNPSA-N 2 0 250.346 -0.100 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627386900 356637509 /nfs/dbraw/zinc/63/75/09/356637509.db2.gz ZVLPREIMHBQSEN-CYBMUJFWSA-N 2 0 294.399 -0.379 20 30 CBEDRP C#CCNC(NCCN1CCC[N@H+](C)CC1)=[NH+]C ZINC000262614721 372910883 /nfs/dbraw/zinc/91/08/83/372910883.db2.gz LBUIMLTXKXMQIA-UHFFFAOYSA-N 2 0 251.378 -0.578 20 30 CBEDRP C=CCN(CCOC)CC(=O)N1CCN(C)CC1 ZINC000191097292 220234198 /nfs/dbraw/zinc/23/41/98/220234198.db2.gz NLKBLINHXRLAED-UHFFFAOYSA-N 2 0 255.362 -0.105 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174675 220235871 /nfs/dbraw/zinc/23/58/71/220235871.db2.gz FNRPILSJEYCODQ-VXGBXAGGSA-N 2 0 282.388 -0.536 20 30 CBEDRP C[NH+]=C(NCCn1cccc1)NC[C@H]1C[N@H+](C)CCN1C ZINC000261769810 220244558 /nfs/dbraw/zinc/24/45/58/220244558.db2.gz NVYDJCXIQBDPBP-AWEZNQCLSA-N 2 0 292.431 -0.101 20 30 CBEDRP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261819943 220246627 /nfs/dbraw/zinc/24/66/27/220246627.db2.gz UJICCKDJKOVEPI-ZWNOBZJWSA-N 2 0 293.415 -0.087 20 30 CBEDRP C=CCNC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000262132430 220248449 /nfs/dbraw/zinc/24/84/49/220248449.db2.gz DCPQSCBIAJYMJO-UHFFFAOYSA-N 2 0 280.416 -0.094 20 30 CBEDRP C[C@H]1C[NH+]=C(NCCN2CC[N@H+](C)C(C)(C)C2)N1 ZINC000262688754 220254555 /nfs/dbraw/zinc/25/45/55/220254555.db2.gz ZOLXSVFCDSQSCP-NSHDSACASA-N 2 0 253.394 -0.050 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262658314 220256130 /nfs/dbraw/zinc/25/61/30/220256130.db2.gz MFFYVDVPONFKLW-VXGBXAGGSA-N 2 0 253.394 -0.050 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(O)CC1 ZINC000262825332 220257064 /nfs/dbraw/zinc/25/70/64/220257064.db2.gz ZPKGEMHJSZADQP-GFCCVEGCSA-N 2 0 281.404 -0.982 20 30 CBEDRP C=CCNC(NC[C@H]1C[NH+]2CCN1CC2)=[NH+]CC ZINC000262807126 220258216 /nfs/dbraw/zinc/25/82/16/220258216.db2.gz SYZSMAKMIYWYAQ-LBPRGKRZSA-N 2 0 251.378 -0.273 20 30 CBEDRP C[NH+](C)CCNC(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000264117854 220263046 /nfs/dbraw/zinc/26/30/46/220263046.db2.gz TYQZCLGDMPHWGM-UHFFFAOYSA-N 2 0 263.345 -0.249 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C[NH2+]CCOC)CC1 ZINC000237171495 419578668 /nfs/dbraw/zinc/57/86/68/419578668.db2.gz QNSAAEKXDVXZIE-UHFFFAOYSA-N 2 0 255.362 -0.011 20 30 CBEDRP C=CC[C@@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCC[NH2+]1 ZINC000662947011 419790894 /nfs/dbraw/zinc/79/08/94/419790894.db2.gz GCJJKZNRJQOLDC-AWEZNQCLSA-N 2 0 291.355 -0.045 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000659705980 420452573 /nfs/dbraw/zinc/45/25/73/420452573.db2.gz BCVVLSHBCHYTKJ-UHFFFAOYSA-N 2 0 296.415 -0.050 20 30 CBEDRP C#CCN1CCN(C(=O)CN(C)CCC(=O)OCC)CC1 ZINC000491284810 261398755 /nfs/dbraw/zinc/39/87/55/261398755.db2.gz AAGZOOXUFNHKOW-UHFFFAOYSA-N 2 0 295.383 -0.351 20 30 CBEDRP CN(C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000564978188 327308907 /nfs/dbraw/zinc/30/89/07/327308907.db2.gz KOIQPJLNJSBATN-ZIAGYGMSSA-N 2 0 293.367 -0.190 20 30 CBEDRP C#CC[N@H+](C)CCCNC[C@H](O)C[NH+](C)C1CC1 ZINC000327952062 330259941 /nfs/dbraw/zinc/25/99/41/330259941.db2.gz AGGXVYPHCZWTSO-AWEZNQCLSA-N 3 0 253.390 -0.014 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000491381460 332201235 /nfs/dbraw/zinc/20/12/35/332201235.db2.gz FIJNAUNAHKIXEO-BETUJISGSA-N 2 0 264.373 -0.198 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000491672168 332278915 /nfs/dbraw/zinc/27/89/15/332278915.db2.gz OUDWNEZHJBDBJM-ZDUSSCGKSA-N 2 0 281.404 -0.774 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000491734107 332314858 /nfs/dbraw/zinc/31/48/58/332314858.db2.gz NKQHPJFIZNNHHO-UHFFFAOYSA-N 2 0 280.416 -0.259 20 30 CBEDRP C#CCNC(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000491743727 332321836 /nfs/dbraw/zinc/32/18/36/332321836.db2.gz KZJPIRVQKBIQEI-UHFFFAOYSA-N 2 0 280.416 -0.305 20 30 CBEDRP C#C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000491814432 332366134 /nfs/dbraw/zinc/36/61/34/332366134.db2.gz CVJOKWWWEYXYHZ-KGLIPLIRSA-N 2 0 253.390 -0.158 20 30 CBEDRP CC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104172380 582113196 /nfs/dbraw/zinc/11/31/96/582113196.db2.gz TZXZCNMRWARTDT-CQSZACIVSA-N 2 0 297.447 -0.045 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000808173960 582441982 /nfs/dbraw/zinc/44/19/82/582441982.db2.gz GNMSIEDPOJCFBY-ZDUSSCGKSA-N 2 0 267.373 -0.630 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000808223751 582442443 /nfs/dbraw/zinc/44/24/43/582442443.db2.gz OVPQYICIHWIRBT-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831091656 582956519 /nfs/dbraw/zinc/95/65/19/582956519.db2.gz AJCMDIASZPTWDX-ZDUSSCGKSA-N 2 0 252.362 -0.007 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000834483889 583124258 /nfs/dbraw/zinc/12/42/58/583124258.db2.gz AVDQXSRJTVBLJP-SBMIAAHKSA-N 2 0 274.328 -0.672 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000834484143 583124588 /nfs/dbraw/zinc/12/45/88/583124588.db2.gz FEKNSEAZNJEBGX-RYUDHWBXSA-N 2 0 250.346 -0.006 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000834484141 583124653 /nfs/dbraw/zinc/12/46/53/583124653.db2.gz FEKNSEAZNJEBGX-NEPJUHHUSA-N 2 0 250.346 -0.006 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000834485628 583125054 /nfs/dbraw/zinc/12/50/54/583125054.db2.gz ZNORFALJRPQDDH-UPJWGTAASA-N 2 0 258.325 -0.216 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000838623743 583151882 /nfs/dbraw/zinc/15/18/82/583151882.db2.gz KJIGBOHIFFJUPP-CQSZACIVSA-N 2 0 284.404 -0.447 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851662612 583518858 /nfs/dbraw/zinc/51/88/58/583518858.db2.gz XZMZDZACWSEUHB-UHFFFAOYSA-N 2 0 264.373 -0.007 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NCCN1CC[NH2+]CC1 ZINC000852793038 583552732 /nfs/dbraw/zinc/55/27/32/583552732.db2.gz NNFZQMJQKOAKGX-UHFFFAOYSA-N 2 0 264.373 -0.989 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852827678 583557161 /nfs/dbraw/zinc/55/71/61/583557161.db2.gz NICOHMGHGOJEFP-CMPLNLGQSA-N 2 0 289.339 -0.017 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000852863793 583563165 /nfs/dbraw/zinc/56/31/65/583563165.db2.gz IPCMKQIRNRFURB-HUUCEWRRSA-N 2 0 291.395 -0.031 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000852863791 583563445 /nfs/dbraw/zinc/56/34/45/583563445.db2.gz IPCMKQIRNRFURB-CABCVRRESA-N 2 0 291.395 -0.031 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852867076 583564395 /nfs/dbraw/zinc/56/43/95/583564395.db2.gz QHRNMAJJKZEUIO-NSHDSACASA-N 2 0 266.345 -0.143 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000852882666 583567354 /nfs/dbraw/zinc/56/73/54/583567354.db2.gz NTUHFLGULZDCKO-ZDUSSCGKSA-N 2 0 265.357 -0.516 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862649377 583813902 /nfs/dbraw/zinc/81/39/02/583813902.db2.gz XUGVLJUQMCCRCM-LBPRGKRZSA-N 2 0 282.388 -0.440 20 30 CBEDRP C#CC[C@H](COC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000863588522 583847995 /nfs/dbraw/zinc/84/79/95/583847995.db2.gz BGQYXTPTUDODAS-KGLIPLIRSA-N 2 0 269.389 -0.777 20 30 CBEDRP C=C1[C@H](C(=O)NCC[NH+](C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000866116954 583916471 /nfs/dbraw/zinc/91/64/71/583916471.db2.gz XHRQYKDWBRJNQT-TXEJJXNPSA-N 2 0 282.388 -0.856 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000876511184 584130326 /nfs/dbraw/zinc/13/03/26/584130326.db2.gz YZJBYKGUQCXNSM-SNVBAGLBSA-N 2 0 260.769 -0.522 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000876511556 584130335 /nfs/dbraw/zinc/13/03/35/584130335.db2.gz MIXLVBIVSLCGOR-SNVBAGLBSA-N 2 0 288.779 -0.654 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000876783385 584144554 /nfs/dbraw/zinc/14/45/54/584144554.db2.gz AKHBYTIHACLSID-GHMZBOCLSA-N 2 0 274.796 -0.182 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000876846260 584149130 /nfs/dbraw/zinc/14/91/30/584149130.db2.gz ACECORIIJDCUID-ZJUUUORDSA-N 2 0 289.763 -0.180 20 30 CBEDRP CN(CCOCC[NH3+])C(=O)C#CC1CC[NH2+]CC1 ZINC000877057165 584164426 /nfs/dbraw/zinc/16/44/26/584164426.db2.gz WGPGMSJAWBAASJ-UHFFFAOYSA-N 2 0 253.346 -0.577 20 30 CBEDRP C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]1 ZINC000884032409 584356607 /nfs/dbraw/zinc/35/66/07/584356607.db2.gz QJYQJJTVBWYDLV-WDBLDGLGSA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891921300 584594330 /nfs/dbraw/zinc/59/43/30/584594330.db2.gz MOQFRAGXULEODU-RYUDHWBXSA-N 2 0 250.346 -0.303 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891921903 584594461 /nfs/dbraw/zinc/59/44/61/584594461.db2.gz XSYRHCCCQOHHOS-TXEJJXNPSA-N 2 0 252.362 -0.022 20 30 CBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492754 584891746 /nfs/dbraw/zinc/89/17/46/584891746.db2.gz SHKWTHCDDULUHR-OHTBPHCPSA-N 2 0 295.383 -0.111 20 30 CBEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591757 613285825 /nfs/dbraw/zinc/28/58/25/613285825.db2.gz IEYABFDNSNWXFZ-QWHCGFSZSA-N 2 0 277.368 -0.876 20 30 CBEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219790 613286650 /nfs/dbraw/zinc/28/66/50/613286650.db2.gz NWJVHSCVSJVFGE-DZGCQCFKSA-N 2 0 298.346 -0.010 20 30 CBEDRP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958373244 613288348 /nfs/dbraw/zinc/28/83/48/613288348.db2.gz DSETUSYEFBSFKA-ZIAGYGMSSA-N 2 0 279.384 -0.630 20 30 CBEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)[C@H](O)C1 ZINC000958268718 613289501 /nfs/dbraw/zinc/28/95/01/613289501.db2.gz XHFCJJGLOYYGDJ-UKRRQHHQSA-N 2 0 298.346 -0.010 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958268717 613303044 /nfs/dbraw/zinc/30/30/44/613303044.db2.gz XHFCJJGLOYYGDJ-HIFRSBDPSA-N 2 0 298.346 -0.010 20 30 CBEDRP C#CCNC(=O)CC[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482049 659472320 /nfs/dbraw/zinc/47/23/20/659472320.db2.gz ZSGXGWKVAFKPOB-UHFFFAOYSA-N 2 0 267.373 -0.486 20 30 CBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262255164 656130212 /nfs/dbraw/zinc/13/02/12/656130212.db2.gz DTDQHHPXURZEQA-VXGBXAGGSA-N 2 0 269.393 -0.685 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCCOC ZINC000303786987 656139210 /nfs/dbraw/zinc/13/92/10/656139210.db2.gz RYBLSKSKOYDIEP-NSHDSACASA-N 2 0 285.392 -0.862 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303780863 656139535 /nfs/dbraw/zinc/13/95/35/656139535.db2.gz LTKWGEATMIHPDJ-GFCCVEGCSA-N 2 0 281.404 -0.099 20 30 CBEDRP C[NH+]=C(NC[C@H](C)N1CC[NH+](C)CC1)NC1CC1 ZINC000303412325 656139612 /nfs/dbraw/zinc/13/96/12/656139612.db2.gz XYQWQXFITUSMKA-NSHDSACASA-N 2 0 253.394 -0.050 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000303701106 656139775 /nfs/dbraw/zinc/13/97/75/656139775.db2.gz IBJMMGSMZJVJEH-AWEZNQCLSA-N 2 0 297.447 -0.032 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CCC[N@H+](C)C1 ZINC000304685422 656141034 /nfs/dbraw/zinc/14/10/34/656141034.db2.gz GAVBGXWSMXVXNS-CQSZACIVSA-N 2 0 297.447 -0.175 20 30 CBEDRP C#CC[N@H+](C)CCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000327977110 656149155 /nfs/dbraw/zinc/14/91/55/656149155.db2.gz HUNNPKXIFQYXLT-CQSZACIVSA-N 2 0 253.390 -0.012 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C ZINC000908436321 656725727 /nfs/dbraw/zinc/72/57/27/656725727.db2.gz PCZOWFCQPLWJNX-TZMCWYRMSA-N 2 0 267.373 -0.487 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000913523195 657492872 /nfs/dbraw/zinc/49/28/72/657492872.db2.gz PUKAUEGSJIVDPO-UHFFFAOYSA-N 2 0 277.372 -0.261 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001016337646 657694659 /nfs/dbraw/zinc/69/46/59/657694659.db2.gz SOQGKEFHSOVPAW-DZGCQCFKSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001019778942 657939364 /nfs/dbraw/zinc/93/93/64/657939364.db2.gz DYUNJEJFHPAUOX-KBPBESRZSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)C2)CC1 ZINC001019816042 657948814 /nfs/dbraw/zinc/94/88/14/657948814.db2.gz RMVUBTMTZDENQY-AWEZNQCLSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001020165004 658021613 /nfs/dbraw/zinc/02/16/13/658021613.db2.gz FEFNAGDHABCOOA-JOCQHMNTSA-N 2 0 289.383 -0.072 20 30 CBEDRP C#CCN1CCC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000923551653 658318460 /nfs/dbraw/zinc/31/84/60/658318460.db2.gz CANMKBWJVIXLNA-GJZGRUSLSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC1(O)CC[NH+]([C@H](C)C(=O)N2CCN(CC)CC2)CC1 ZINC000931141704 659386157 /nfs/dbraw/zinc/38/61/57/659386157.db2.gz GDKHSZSMJXZKEW-CQSZACIVSA-N 2 0 293.411 -0.001 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)[C@@H]2C)CC1 ZINC000987569812 659512004 /nfs/dbraw/zinc/51/20/04/659512004.db2.gz IRNXGWHBGKBVQS-DZGCQCFKSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451919 791015036 /nfs/dbraw/zinc/01/50/36/791015036.db2.gz HJHKTZIGBQXSQX-NHGZVPIDSA-N 2 0 289.379 -0.280 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001077675388 805768578 /nfs/dbraw/zinc/76/85/78/805768578.db2.gz LYLGSYPRSALFTN-BFHYXJOUSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001077778460 805784277 /nfs/dbraw/zinc/78/42/77/805784277.db2.gz KWWKDGHAXYVHLE-HUUCEWRRSA-N 2 0 293.411 -0.097 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147977896 814927347 /nfs/dbraw/zinc/92/73/47/814927347.db2.gz ZHDQPAUUMMJDBV-UHFFFAOYSA-N 2 0 265.357 -0.562 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147970264 814927852 /nfs/dbraw/zinc/92/78/52/814927852.db2.gz DVSFOSQMZGDRBP-UHFFFAOYSA-N 2 0 280.372 -0.910 20 30 CBEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083957808 806471151 /nfs/dbraw/zinc/47/11/51/806471151.db2.gz OZKHDBQAGDUVRK-OLZOCXBDSA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001026045278 798988345 /nfs/dbraw/zinc/98/83/45/798988345.db2.gz XSTOZCQVQVOQGZ-POQQGIQPSA-N 2 0 261.369 -0.136 20 30 CBEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688857 799534201 /nfs/dbraw/zinc/53/42/01/799534201.db2.gz MRHOECXDNNEISV-GJZGRUSLSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCO)C2)CC1 ZINC001032207196 799593552 /nfs/dbraw/zinc/59/35/52/799593552.db2.gz HDPNZJDVJKYYMX-UHFFFAOYSA-N 2 0 279.384 -0.628 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](C)O)C2)CC1 ZINC001032207200 799593849 /nfs/dbraw/zinc/59/38/49/799593849.db2.gz HFXJICGBHOEBHD-CYBMUJFWSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@@H](C)O)CC1 ZINC001039041887 801284279 /nfs/dbraw/zinc/28/42/79/801284279.db2.gz ILMBMFKRRLAETJ-HIFRSBDPSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001047545644 801897341 /nfs/dbraw/zinc/89/73/41/801897341.db2.gz UGPVCWMDFJVTAK-STQMWFEESA-N 2 0 276.340 -0.521 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001047598222 801909292 /nfs/dbraw/zinc/90/92/92/801909292.db2.gz AEVDLTHFIRDTHC-KBPBESRZSA-N 2 0 291.395 -0.391 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001124033850 813393510 /nfs/dbraw/zinc/39/35/10/813393510.db2.gz WVGJAAOCPHUTGM-ZFWWWQNUSA-N 2 0 290.411 -0.412 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001124033849 813394490 /nfs/dbraw/zinc/39/44/90/813394490.db2.gz WVGJAAOCPHUTGM-UKRRQHHQSA-N 2 0 290.411 -0.412 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148577836 814951168 /nfs/dbraw/zinc/95/11/68/814951168.db2.gz GGOFIZHGNVYHOI-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655839 814956152 /nfs/dbraw/zinc/95/61/52/814956152.db2.gz SRFZSJIDPUDPBY-GFCCVEGCSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCC[NH2+]C[C@@H](C)NC(=O)CCN1CCOCC1 ZINC001321680543 803800468 /nfs/dbraw/zinc/80/04/68/803800468.db2.gz HESRLSXTVKSSHP-CYBMUJFWSA-N 2 0 267.373 -0.174 20 30 CBEDRP COCC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001323349542 804014164 /nfs/dbraw/zinc/01/41/64/804014164.db2.gz AGKSBXANBOMFAQ-UONOGXRCSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001325154786 804249247 /nfs/dbraw/zinc/24/92/47/804249247.db2.gz WFLLSEWIIFEHLP-OAHLLOKOSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=C[C@@H](COC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001325843892 804323564 /nfs/dbraw/zinc/32/35/64/804323564.db2.gz KJAAQUWVQWKJPL-STQMWFEESA-N 2 0 257.378 -0.615 20 30 CBEDRP C#CCN1CCC[C@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001325865081 804326743 /nfs/dbraw/zinc/32/67/43/804326743.db2.gz LDCHKWYUZPDAQX-HNNXBMFYSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072927 815056102 /nfs/dbraw/zinc/05/61/02/815056102.db2.gz AODNMPXJRFELOV-NEPJUHHUSA-N 2 0 282.388 -0.665 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151066151 815056437 /nfs/dbraw/zinc/05/64/37/815056437.db2.gz RBHHBUFFQUOUDH-GFCCVEGCSA-N 2 0 255.362 -0.154 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072928 815057713 /nfs/dbraw/zinc/05/77/13/815057713.db2.gz AODNMPXJRFELOV-NWDGAFQWSA-N 2 0 282.388 -0.665 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151097192 815060610 /nfs/dbraw/zinc/06/06/10/815060610.db2.gz LBHDITIGDZRTGF-CYBMUJFWSA-N 2 0 294.399 -0.425 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151152350 815064708 /nfs/dbraw/zinc/06/47/08/815064708.db2.gz PXZJGWBIFPPGAQ-GFCCVEGCSA-N 2 0 255.362 -0.154 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151158553 815065779 /nfs/dbraw/zinc/06/57/79/815065779.db2.gz PIVFJLDKMXQFPB-AWEZNQCLSA-N 2 0 299.415 -0.137 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCCO)CC1 ZINC001152330498 815115434 /nfs/dbraw/zinc/11/54/34/815115434.db2.gz QAPWFBXOLUUMQC-UHFFFAOYSA-N 2 0 267.373 -0.580 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822365 815315495 /nfs/dbraw/zinc/31/54/95/815315495.db2.gz OTJXYYCAQQLGEO-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086091959 810241693 /nfs/dbraw/zinc/24/16/93/810241693.db2.gz UJKAAGQGXCXHER-XGUBFFRZSA-N 2 0 291.395 -0.033 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086371718 810265224 /nfs/dbraw/zinc/26/52/24/810265224.db2.gz UJKAAGQGXCXHER-ZQDZILKHSA-N 2 0 291.395 -0.033 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086371716 810266051 /nfs/dbraw/zinc/26/60/51/810266051.db2.gz UJKAAGQGXCXHER-KBUPBQIOSA-N 2 0 291.395 -0.033 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090544541 810520818 /nfs/dbraw/zinc/52/08/18/810520818.db2.gz WABIFIIPGDZPFP-CABCVRRESA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@@H]2O)CC1 ZINC001090832023 810572113 /nfs/dbraw/zinc/57/21/13/810572113.db2.gz XVFVFVKOFQXKJO-CABCVRRESA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1CN(C)CCO1)C2 ZINC001096912033 810788414 /nfs/dbraw/zinc/78/84/14/810788414.db2.gz VUPKFWIQDLTOAK-MQYQWHSLSA-N 2 0 277.368 -0.328 20 30 CBEDRP C#CCN1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CN(C)CCO1)C2 ZINC001096912034 810788729 /nfs/dbraw/zinc/78/87/29/810788729.db2.gz VUPKFWIQDLTOAK-YIYPIFLZSA-N 2 0 277.368 -0.328 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985917 810983199 /nfs/dbraw/zinc/98/31/99/810983199.db2.gz GYHFPFBZPUSCQY-QWHCGFSZSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CCOCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987243 810985944 /nfs/dbraw/zinc/98/59/44/810985944.db2.gz WULYARUPHUABHG-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074837 811015759 /nfs/dbraw/zinc/01/57/59/811015759.db2.gz UDLHEPBYGHALSH-QWHCGFSZSA-N 2 0 285.388 -0.698 20 30 CBEDRP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100081464 811017345 /nfs/dbraw/zinc/01/73/45/811017345.db2.gz SUBRYPNSSCWDEL-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100081463 811018584 /nfs/dbraw/zinc/01/85/84/811018584.db2.gz SUBRYPNSSCWDEL-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[N@H+]1C[C@@H]2CN(C(=O)COCC[NH+](C)C)C[C@]2(C)C1 ZINC001101431682 811103332 /nfs/dbraw/zinc/10/33/32/811103332.db2.gz ZTBJTCGMSBHSPU-ZBFHGGJFSA-N 2 0 293.411 -0.022 20 30 CBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114778301 812160008 /nfs/dbraw/zinc/16/00/08/812160008.db2.gz IIVJUSVMMWJGBV-NHAGDIPZSA-N 2 0 279.384 -0.366 20 30 CBEDRP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126198 812180858 /nfs/dbraw/zinc/18/08/58/812180858.db2.gz KBPUTHZPVXKZPS-NHAGDIPZSA-N 2 0 279.384 -0.366 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001115245346 812186870 /nfs/dbraw/zinc/18/68/70/812186870.db2.gz PNXUFUGHCZQTPF-KBXIAJHMSA-N 2 0 291.395 -0.366 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118322699 812529594 /nfs/dbraw/zinc/52/95/94/812529594.db2.gz NWEYMNGWVQAIIH-KBPBESRZSA-N 2 0 293.415 -0.096 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001118384501 812543621 /nfs/dbraw/zinc/54/36/21/812543621.db2.gz UXFXTUUDCPBGOP-RYUDHWBXSA-N 2 0 268.361 -0.108 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@H](C2([NH3+])CC2)[C@H](CF)C1 ZINC001158576817 815539163 /nfs/dbraw/zinc/53/91/63/815539163.db2.gz DWIVBLUYZTUUTC-SCVCMEIPSA-N 2 0 253.321 -0.128 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]([NH3+])C1CC1)C2 ZINC001119297021 812745812 /nfs/dbraw/zinc/74/58/12/812745812.db2.gz IEVKSCKVDVAPND-MRFPXMQZSA-N 2 0 262.357 -0.021 20 30 CBEDRP C=CCOCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001120467188 812971475 /nfs/dbraw/zinc/97/14/75/812971475.db2.gz IQBYAFPONOKJBJ-AWEZNQCLSA-N 2 0 271.405 -0.223 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC001122067594 813111917 /nfs/dbraw/zinc/11/19/17/813111917.db2.gz IGDMORQUNCLLOZ-GFCCVEGCSA-N 2 0 276.344 -0.877 20 30 CBEDRP COCC[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001122313048 813144737 /nfs/dbraw/zinc/14/47/37/813144737.db2.gz LEPLDNSRHCZTKX-CQSZACIVSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866335 813489049 /nfs/dbraw/zinc/48/90/49/813489049.db2.gz AFXQLGLKCXUEOM-RYUDHWBXSA-N 2 0 282.388 -0.523 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124877600 813493333 /nfs/dbraw/zinc/49/33/33/813493333.db2.gz HCDNBGPLXXXLQL-QWHCGFSZSA-N 2 0 294.399 -0.427 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124877603 813494570 /nfs/dbraw/zinc/49/45/70/813494570.db2.gz HCDNBGPLXXXLQL-STQMWFEESA-N 2 0 294.399 -0.427 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535187 813849645 /nfs/dbraw/zinc/84/96/45/813849645.db2.gz KVTZXNJNYLQYJO-LBPRGKRZSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129849775 813869624 /nfs/dbraw/zinc/86/96/24/813869624.db2.gz UOJJENNMKMEINF-CYBMUJFWSA-N 2 0 296.415 -0.131 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129849776 813872272 /nfs/dbraw/zinc/87/22/72/813872272.db2.gz UOJJENNMKMEINF-ZDUSSCGKSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129991929 813893138 /nfs/dbraw/zinc/89/31/38/813893138.db2.gz CVOAAGZINAFVHL-OLZOCXBDSA-N 2 0 290.371 -0.796 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200847 813915991 /nfs/dbraw/zinc/91/59/91/813915991.db2.gz OOVMYFYWMZTORU-VXGBXAGGSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130296966 813922032 /nfs/dbraw/zinc/92/20/32/813922032.db2.gz GCBBQCTYWDLHKM-LBPRGKRZSA-N 2 0 282.388 -0.521 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419255 813938415 /nfs/dbraw/zinc/93/84/15/813938415.db2.gz RKUWACOOKHARML-UHFFFAOYSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccn2c[nH+]cc2c1 ZINC001130867990 813989170 /nfs/dbraw/zinc/98/91/70/813989170.db2.gz VGCGJTNYNKJYID-UHFFFAOYSA-N 2 0 299.334 -0.597 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133285961 814235278 /nfs/dbraw/zinc/23/52/78/814235278.db2.gz PVQZBYHVVCUUAD-UHFFFAOYSA-N 2 0 282.388 -0.664 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434368 814253351 /nfs/dbraw/zinc/25/33/51/814253351.db2.gz OFOGRVDYABZIBH-QWHCGFSZSA-N 2 0 298.431 -0.031 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001133685082 814287350 /nfs/dbraw/zinc/28/73/50/814287350.db2.gz PQKQYZHYZWJDDS-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849628 814306772 /nfs/dbraw/zinc/30/67/72/814306772.db2.gz AYVHZEMGEYJXRX-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849618 814308381 /nfs/dbraw/zinc/30/83/81/814308381.db2.gz AQCSTRJQVWHVEF-OLZOCXBDSA-N 2 0 296.415 -0.275 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869124 814314283 /nfs/dbraw/zinc/31/42/83/814314283.db2.gz BIDGCDRCJRMJEJ-STQMWFEESA-N 2 0 267.373 -0.460 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133899662 814320883 /nfs/dbraw/zinc/32/08/83/814320883.db2.gz QYKIVCJHOUBYQF-UHFFFAOYSA-N 2 0 296.415 -0.581 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133967796 814331400 /nfs/dbraw/zinc/33/14/00/814331400.db2.gz DHOJTZDXSDQTPX-NEPJUHHUSA-N 2 0 284.404 -0.277 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H](CC)[NH+](C)C)C1=O ZINC001133966260 814331476 /nfs/dbraw/zinc/33/14/76/814331476.db2.gz ZVGNXUMUENZPNI-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+](C)C ZINC001135373427 814469753 /nfs/dbraw/zinc/46/97/53/814469753.db2.gz WGOWJQGPFOAPCF-NWDGAFQWSA-N 2 0 297.403 -0.549 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160421444 815619066 /nfs/dbraw/zinc/61/90/66/815619066.db2.gz RBKFGQUYOPUUEM-AWEZNQCLSA-N 2 0 298.431 -0.029 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958519 814540980 /nfs/dbraw/zinc/54/09/80/814540980.db2.gz BFYBFWCHOSUMTF-UHFFFAOYSA-N 2 0 267.373 -0.174 20 30 CBEDRP CC[N@H+](C)CCC(=O)NCC[NH2+]CC#CCOC ZINC001146719673 814844891 /nfs/dbraw/zinc/84/48/91/814844891.db2.gz TVIFENSFNHDDNP-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP C[NH+](C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001159915754 815604140 /nfs/dbraw/zinc/60/41/40/815604140.db2.gz NDJFPDLHBFGXQP-ZDUSSCGKSA-N 2 0 295.387 -0.938 20 30 CBEDRP N#C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160642465 815650739 /nfs/dbraw/zinc/65/07/39/815650739.db2.gz JGNVFEUCAUUSCG-ZJUUUORDSA-N 2 0 256.375 -0.232 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889111 815685349 /nfs/dbraw/zinc/68/53/49/815685349.db2.gz CYFFYLVAAQWQDM-QWHCGFSZSA-N 2 0 296.415 -0.440 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872666 815846664 /nfs/dbraw/zinc/84/66/64/815846664.db2.gz ZVCSACAHCFKSAO-JVWICGRDSA-N 2 0 277.368 -0.421 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC001293590687 816521886 /nfs/dbraw/zinc/52/18/86/816521886.db2.gz WGSNTNBNGXUWJS-LBPRGKRZSA-N 2 0 255.362 -0.059 20 30 CBEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001317092864 816930263 /nfs/dbraw/zinc/93/02/63/816930263.db2.gz PIRFVRQLYPGVIQ-HDJSIYSDSA-N 2 0 279.384 -0.031 20 30 CBEDRP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317626543 817033249 /nfs/dbraw/zinc/03/32/49/817033249.db2.gz NCRPJKZUVCOGPW-CYBMUJFWSA-N 2 0 297.403 -0.740 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001317655090 817040929 /nfs/dbraw/zinc/04/09/29/817040929.db2.gz PYHFFJQOLDLDSO-OLZOCXBDSA-N 2 0 296.415 -0.488 20 30 CBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320232304 817299938 /nfs/dbraw/zinc/29/99/38/817299938.db2.gz OESHSEDBXUGDNY-ZIAGYGMSSA-N 2 0 281.400 -0.029 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001320235980 817301468 /nfs/dbraw/zinc/30/14/68/817301468.db2.gz TZCBRERBQUTGMV-ZDUSSCGKSA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001320264052 817308989 /nfs/dbraw/zinc/30/89/89/817308989.db2.gz QCUGCOLNDRWGDC-ZIAGYGMSSA-N 2 0 281.400 -0.192 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320295485 817317453 /nfs/dbraw/zinc/31/74/53/817317453.db2.gz KCKFNCLHKUKUGQ-NSHDSACASA-N 2 0 253.346 -0.665 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001320315554 817321364 /nfs/dbraw/zinc/32/13/64/817321364.db2.gz JAEGIKNUOAFVIA-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC#CC)CC1 ZINC001320318821 817322485 /nfs/dbraw/zinc/32/24/85/817322485.db2.gz ZDOYTJQJQDZLIA-OAHLLOKOSA-N 2 0 291.395 -0.578 20 30 CBEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320372901 817328625 /nfs/dbraw/zinc/32/86/25/817328625.db2.gz RSPOOXCRSIGFDT-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP CC[NH+](CC)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001168755665 820176624 /nfs/dbraw/zinc/17/66/24/820176624.db2.gz OYTHQGPKYFWKPD-UHFFFAOYSA-N 2 0 283.376 -0.936 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171769625 820370668 /nfs/dbraw/zinc/37/06/68/820370668.db2.gz AWQPRNJSEJCUHG-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NC)CC1 ZINC001176926111 820479821 /nfs/dbraw/zinc/47/98/21/820479821.db2.gz GWIJGKDNORQLFO-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC[NH3+])S(C)(=O)=O ZINC001183027222 820966293 /nfs/dbraw/zinc/96/62/93/820966293.db2.gz LNKLFMNXHVWNEM-UHFFFAOYSA-N 2 0 275.374 -0.615 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400553 821127229 /nfs/dbraw/zinc/12/72/29/821127229.db2.gz CLBDCXLKIQZPHU-CHWSQXEVSA-N 2 0 296.415 -0.181 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186809194 821199181 /nfs/dbraw/zinc/19/91/81/821199181.db2.gz XSVJAHONDGZPLA-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001280567260 828361539 /nfs/dbraw/zinc/36/15/39/828361539.db2.gz QVZFXDQNTKGMCE-STQMWFEESA-N 2 0 265.357 -0.469 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001280567258 828362103 /nfs/dbraw/zinc/36/21/03/828362103.db2.gz QVZFXDQNTKGMCE-OLZOCXBDSA-N 2 0 265.357 -0.469 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001187825331 822298782 /nfs/dbraw/zinc/29/87/82/822298782.db2.gz KRZSEDJUCDPLFM-ZIAGYGMSSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCO)CC1 ZINC001282241383 828439466 /nfs/dbraw/zinc/43/94/66/828439466.db2.gz KNXKDSOBLWILTD-QWHCGFSZSA-N 2 0 281.400 -0.193 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283798007 828549566 /nfs/dbraw/zinc/54/95/66/828549566.db2.gz UEWKKRHHMZBBQA-IHRRRGAJSA-N 2 0 281.400 -0.193 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001283798493 828549170 /nfs/dbraw/zinc/54/91/70/828549170.db2.gz YDOGFMKDEQEQFN-LBPRGKRZSA-N 2 0 269.389 -0.029 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283812975 828551479 /nfs/dbraw/zinc/55/14/79/828551479.db2.gz KXQRHXNKARXVEE-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283827749 828554765 /nfs/dbraw/zinc/55/47/65/828554765.db2.gz REJMHFAWQIYMMI-STQMWFEESA-N 2 0 269.389 -0.029 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001284456126 828598781 /nfs/dbraw/zinc/59/87/81/828598781.db2.gz IXQSCEZIPVBHPT-STQMWFEESA-N 2 0 269.389 -0.077 20 30 CBEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001284509701 828606563 /nfs/dbraw/zinc/60/65/63/828606563.db2.gz OWZXKQDTOVYYHF-ZDUSSCGKSA-N 2 0 269.389 -0.288 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001284467545 828599886 /nfs/dbraw/zinc/59/98/86/828599886.db2.gz KLHLJPSVQNKFSC-UONOGXRCSA-N 2 0 299.415 -0.450 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859152 824134504 /nfs/dbraw/zinc/13/45/04/824134504.db2.gz FULBRZCJSXMCGE-VXGBXAGGSA-N 2 0 253.346 -0.877 20 30 CBEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197784456 824201420 /nfs/dbraw/zinc/20/14/20/824201420.db2.gz XFBATOJOBCYZHG-CHWSQXEVSA-N 2 0 285.388 -0.698 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200114346 824306613 /nfs/dbraw/zinc/30/66/13/824306613.db2.gz CPTIOULLDQLWKJ-UONOGXRCSA-N 2 0 279.384 -0.079 20 30 CBEDRP C=CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864076 824337796 /nfs/dbraw/zinc/33/77/96/824337796.db2.gz SURKTHFUCYTMAK-CQSZACIVSA-N 2 0 299.415 -0.042 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730407 824515213 /nfs/dbraw/zinc/51/52/13/824515213.db2.gz OHCOKCSKSYDSCI-ZIAGYGMSSA-N 2 0 297.399 -0.597 20 30 CBEDRP N#Cc1cnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218504258 824573693 /nfs/dbraw/zinc/57/36/93/824573693.db2.gz NFWGQXDLERCYSQ-NSHDSACASA-N 2 0 289.343 -0.963 20 30 CBEDRP C#Cc1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)ccn1 ZINC001218521308 824580689 /nfs/dbraw/zinc/58/06/89/824580689.db2.gz URTOCSSZJVMAAA-LBPRGKRZSA-N 2 0 256.309 -0.768 20 30 CBEDRP C#CCN1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218575539 824597029 /nfs/dbraw/zinc/59/70/29/824597029.db2.gz MNCGPEGMHYUBHY-QWHCGFSZSA-N 2 0 265.357 -0.517 20 30 CBEDRP Cn1cc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(C#N)n1 ZINC001218668687 824619740 /nfs/dbraw/zinc/61/97/40/824619740.db2.gz SFXORZRVWVPVAI-QMMMGPOBSA-N 2 0 250.306 -0.313 20 30 CBEDRP Cn1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(C#N)n1 ZINC001218667407 824620146 /nfs/dbraw/zinc/62/01/46/824620146.db2.gz FUBBFKRBIURNGD-NSHDSACASA-N 2 0 262.317 -0.443 20 30 CBEDRP C#CCN1C[C@H]2OCCN(C(=O)C[NH+](CC)CC)[C@H]2C1 ZINC001218803120 824640053 /nfs/dbraw/zinc/64/00/53/824640053.db2.gz GHCLKRAYVDXRCD-UONOGXRCSA-N 2 0 279.384 -0.127 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220124887 824959655 /nfs/dbraw/zinc/95/96/55/824959655.db2.gz OIEIQRXQTIMTQA-VIFPVBQESA-N 2 0 275.374 -0.759 20 30 CBEDRP C=CCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220484883 825047926 /nfs/dbraw/zinc/04/79/26/825047926.db2.gz YWFAHFOGGZVGNH-LBPRGKRZSA-N 2 0 254.378 -0.181 20 30 CBEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220498440 825049699 /nfs/dbraw/zinc/04/96/99/825049699.db2.gz GRPNPPBVKQCVDD-WDEREUQCSA-N 2 0 294.355 -0.568 20 30 CBEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220499199 825050178 /nfs/dbraw/zinc/05/01/78/825050178.db2.gz UHKGQBZHKAYCGA-UWVGGRQHSA-N 2 0 270.333 -0.725 20 30 CBEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220498843 825050606 /nfs/dbraw/zinc/05/06/06/825050606.db2.gz LWEXYXPLTUJAOO-IUCAKERBSA-N 2 0 256.306 -0.986 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220804299 825104620 /nfs/dbraw/zinc/10/46/20/825104620.db2.gz NTYDRZUNTCMNGP-WEDXCCLWSA-N 2 0 263.263 -0.006 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@@H]([NH3+])CN1 ZINC001220868145 825114679 /nfs/dbraw/zinc/11/46/79/825114679.db2.gz CJKUCYCWPVGQQS-WOPDTQHZSA-N 2 0 252.362 -0.558 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220868146 825114702 /nfs/dbraw/zinc/11/47/02/825114702.db2.gz CKDKKGBKXGJPFD-IJEWVQPXSA-N 3 0 292.427 -0.048 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CN1CC[NH2+]CC1 ZINC001220868368 825114786 /nfs/dbraw/zinc/11/47/86/825114786.db2.gz HFWFOEQARXGWFD-ZDUSSCGKSA-N 2 0 266.389 -0.342 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220868057 825115818 /nfs/dbraw/zinc/11/58/18/825115818.db2.gz AGFSFLBIOLLASE-NWDGAFQWSA-N 3 0 254.378 -0.181 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(N)CC[NH2+]C1 ZINC001220868870 825116522 /nfs/dbraw/zinc/11/65/22/825116522.db2.gz XUCWIXDTPSRSCE-WCQYABFASA-N 2 0 252.362 -0.556 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(N)CC[NH2+]C1 ZINC001220868869 825117069 /nfs/dbraw/zinc/11/70/69/825117069.db2.gz XUCWIXDTPSRSCE-AAEUAGOBSA-N 2 0 252.362 -0.556 20 30 CBEDRP C#CCCC1(CCNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)N=N1 ZINC001221411635 825187819 /nfs/dbraw/zinc/18/78/19/825187819.db2.gz ZVAKXDWUMFLJAU-LLVKDONJSA-N 2 0 275.356 -0.123 20 30 CBEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235869680 825515831 /nfs/dbraw/zinc/51/58/31/825515831.db2.gz HNEMHKVSMKOCHJ-UHFFFAOYSA-N 2 0 288.399 -0.462 20 30 CBEDRP C=CCN(CCN(CC[NH3+])CC[NH3+])C(=O)OCC ZINC001235875348 825518385 /nfs/dbraw/zinc/51/83/85/825518385.db2.gz FMEGSYNZXNASTM-UHFFFAOYSA-N 2 0 258.366 -0.150 20 30 CBEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246025488 825625557 /nfs/dbraw/zinc/62/55/57/825625557.db2.gz YNYGFVFYEXHNIL-OLZOCXBDSA-N 2 0 258.362 -0.274 20 30 CBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@@]1(O)CCC[NH2+]C1 ZINC001246000122 825619372 /nfs/dbraw/zinc/61/93/72/825619372.db2.gz KQVYMTOBVQYTRW-ZFWWWQNUSA-N 2 0 299.415 -0.083 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246020182 825623029 /nfs/dbraw/zinc/62/30/29/825623029.db2.gz MYMRDRCYXAZTQJ-RYUDHWBXSA-N 2 0 273.377 -0.617 20 30 CBEDRP C#CCOC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246028603 825627702 /nfs/dbraw/zinc/62/77/02/825627702.db2.gz KBIYKSLPGARXEZ-ZDUSSCGKSA-N 2 0 267.373 -0.976 20 30 CBEDRP C#CCOC[C@@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052806 825630814 /nfs/dbraw/zinc/63/08/14/825630814.db2.gz ORRCGBOPBATEHD-MJBXVCDLSA-N 2 0 252.358 -0.072 20 30 CBEDRP N#C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CCN1 ZINC001246086515 825634971 /nfs/dbraw/zinc/63/49/71/825634971.db2.gz CXLZDESSFTWVGF-NOOOWODRSA-N 2 0 256.325 -0.717 20 30 CBEDRP NC(=O)c1ccc(C(=[NH2+])N[C@@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246313309 825663345 /nfs/dbraw/zinc/66/33/45/825663345.db2.gz CHTMTXDCSMUIIM-GFCCVEGCSA-N 2 0 287.367 -0.415 20 30 CBEDRP C#CCCN1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246347501 825666878 /nfs/dbraw/zinc/66/68/78/825666878.db2.gz UDOGDBVPXLOYNY-KGLIPLIRSA-N 2 0 290.411 -0.316 20 30 CBEDRP C=CCN1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246363077 825668745 /nfs/dbraw/zinc/66/87/45/825668745.db2.gz OVQITENOVNEZHC-QWHCGFSZSA-N 2 0 278.400 -0.153 20 30 CBEDRP C=CCN1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246363079 825668989 /nfs/dbraw/zinc/66/89/89/825668989.db2.gz OVQITENOVNEZHC-STQMWFEESA-N 2 0 278.400 -0.153 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001251821228 825790049 /nfs/dbraw/zinc/79/00/49/825790049.db2.gz KFOWAHAHJCQMGG-MRXNPFEDSA-N 2 0 297.443 -0.044 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001251847217 825794145 /nfs/dbraw/zinc/79/41/45/825794145.db2.gz BIXSSYQRMDCAQC-MRXNPFEDSA-N 2 0 295.427 -0.291 20 30 CBEDRP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)CO)CC1 ZINC001252062016 825823329 /nfs/dbraw/zinc/82/33/29/825823329.db2.gz CZWYBORTMJGSRG-HNNXBMFYSA-N 2 0 283.416 -0.369 20 30 CBEDRP C=CCOC[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252464828 825866973 /nfs/dbraw/zinc/86/69/73/825866973.db2.gz AUBLWRFRWMCRTJ-CQSZACIVSA-N 2 0 273.421 -0.025 20 30 CBEDRP C=C[C@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253587264 825918232 /nfs/dbraw/zinc/91/82/32/825918232.db2.gz KCPASGZVUXKCGF-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC001262564052 826710031 /nfs/dbraw/zinc/71/00/31/826710031.db2.gz XFOMOQVQYJKUHT-UHFFFAOYSA-N 2 0 294.443 -0.011 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC001263107405 826739862 /nfs/dbraw/zinc/73/98/62/826739862.db2.gz VZSSCMOOWVQMEC-LBPRGKRZSA-N 2 0 280.372 -0.945 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001263173607 826749457 /nfs/dbraw/zinc/74/94/57/826749457.db2.gz FUYXYCYOOIVMBE-ZWNOBZJWSA-N 2 0 266.345 -0.334 20 30 CBEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265266489 826863980 /nfs/dbraw/zinc/86/39/80/826863980.db2.gz OVVFAVBTQCILLH-HNNXBMFYSA-N 2 0 292.427 -0.305 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265567318 826904662 /nfs/dbraw/zinc/90/46/62/826904662.db2.gz XPNDLFKJTQNRMJ-FRRDWIJNSA-N 2 0 296.415 -0.134 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265566998 826905344 /nfs/dbraw/zinc/90/53/44/826905344.db2.gz RSSOECGYPRTXQK-XQQFMLRXSA-N 2 0 294.399 -0.687 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265567319 826905494 /nfs/dbraw/zinc/90/54/94/826905494.db2.gz XPNDLFKJTQNRMJ-XQQFMLRXSA-N 2 0 296.415 -0.134 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266515365 827016027 /nfs/dbraw/zinc/01/60/27/827016027.db2.gz WOMKPGYNNJTFBC-QWHCGFSZSA-N 2 0 292.383 -0.980 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744000 827059974 /nfs/dbraw/zinc/05/99/74/827059974.db2.gz NDLKEZVTPJVAAN-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NCC#N ZINC001266944683 827092748 /nfs/dbraw/zinc/09/27/48/827092748.db2.gz PACLHAXXHGXAAA-LLVKDONJSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@H](C)C(N)=O)CC1 ZINC001267116574 827113704 /nfs/dbraw/zinc/11/37/04/827113704.db2.gz DSXHZYXFKBCMAH-GFCCVEGCSA-N 2 0 294.399 -0.747 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001267116575 827114108 /nfs/dbraw/zinc/11/41/08/827114108.db2.gz DSXHZYXFKBCMAH-LBPRGKRZSA-N 2 0 294.399 -0.747 20 30 CBEDRP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800061 827223276 /nfs/dbraw/zinc/22/32/76/827223276.db2.gz MLDLYFTZZAGCPH-NEPJUHHUSA-N 2 0 295.387 -0.795 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268014865 827242215 /nfs/dbraw/zinc/24/22/15/827242215.db2.gz YTVFFEICKOGMNR-ZIAGYGMSSA-N 2 0 281.400 -0.070 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268329424 827304568 /nfs/dbraw/zinc/30/45/68/827304568.db2.gz UEESXSZKAYLPGM-NWDGAFQWSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCC)CC1 ZINC001268335467 827307365 /nfs/dbraw/zinc/30/73/65/827307365.db2.gz UQDZQOBPJBDZIG-CQSZACIVSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC)CC1 ZINC001268334616 827307978 /nfs/dbraw/zinc/30/79/78/827307978.db2.gz KRMAHWAJSUDQOK-ZDUSSCGKSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271192555 827675860 /nfs/dbraw/zinc/67/58/60/827675860.db2.gz NATWDMCIOWBAOP-GXTWGEPZSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271218883 827677223 /nfs/dbraw/zinc/67/72/23/827677223.db2.gz DNXHCDWWVBVTEM-TZMCWYRMSA-N 2 0 265.357 -0.876 20 30 CBEDRP C#CCCN1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271387842 827698097 /nfs/dbraw/zinc/69/80/97/827698097.db2.gz GRNWODNKHZDZAC-GFCCVEGCSA-N 2 0 265.357 -0.876 20 30 CBEDRP C=C(C)C[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001272307126 827778934 /nfs/dbraw/zinc/77/89/34/827778934.db2.gz LMSPDJWQWIIUOR-CYBMUJFWSA-N 2 0 269.389 -0.075 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001272443921 827798325 /nfs/dbraw/zinc/79/83/25/827798325.db2.gz QSXHZLTUFKVSME-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CCN1C[C@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030888 827857755 /nfs/dbraw/zinc/85/77/55/827857755.db2.gz QPKXYMJFIUFEKM-MRXNPFEDSA-N 2 0 291.395 -0.078 20 30 CBEDRP C#CCN1C[C@]2(CCN(CCC[NH+](C)C)C2)OCC1=O ZINC001273711486 827921025 /nfs/dbraw/zinc/92/10/25/827921025.db2.gz DXLCUNGFTKSWRC-OAHLLOKOSA-N 2 0 279.384 -0.125 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCOC ZINC001274096483 827968328 /nfs/dbraw/zinc/96/83/28/827968328.db2.gz FMNMNFGWXNKKLT-NNTXTVRGSA-N 2 0 279.384 -0.008 20 30 CBEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001275800803 828116222 /nfs/dbraw/zinc/11/62/22/828116222.db2.gz LFSAETMGXWHXBF-ZIAGYGMSSA-N 2 0 297.399 -0.597 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278077555 828242826 /nfs/dbraw/zinc/24/28/26/828242826.db2.gz KZUVDEUGHDUMFU-CHWSQXEVSA-N 2 0 267.373 -0.441 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001278099180 828246889 /nfs/dbraw/zinc/24/68/89/828246889.db2.gz FQNVAKNDSPTUSV-CQSZACIVSA-N 2 0 293.411 -0.048 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001278798704 828290625 /nfs/dbraw/zinc/29/06/25/828290625.db2.gz SKLXRFZFKVOERL-GFCCVEGCSA-N 2 0 267.373 -0.630 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001278826395 828292942 /nfs/dbraw/zinc/29/29/42/828292942.db2.gz FMMJCWLPTBBDEW-VXGBXAGGSA-N 2 0 255.362 -0.631 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001278826394 828293629 /nfs/dbraw/zinc/29/36/29/828293629.db2.gz FMMJCWLPTBBDEW-RYUDHWBXSA-N 2 0 255.362 -0.631 20 30 CBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCC#N)CC1 ZINC001348957975 890738342 /nfs/dbraw/zinc/73/83/42/890738342.db2.gz NNWCCFZQOXJRQF-CYBMUJFWSA-N 2 0 254.378 -0.122 20 30 CBEDRP C[NH+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001336975534 888939322 /nfs/dbraw/zinc/93/93/22/888939322.db2.gz DCQZSGZQPBALNH-AKJDGMEZSA-N 2 0 250.346 -0.196 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC001340891652 889506077 /nfs/dbraw/zinc/50/60/77/889506077.db2.gz BMDYFEVZNFWCFG-CYBMUJFWSA-N 2 0 266.389 -0.791 20 30 CBEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001326149548 884924532 /nfs/dbraw/zinc/92/45/32/884924532.db2.gz YAOSXQUZTCEEHI-ZDUSSCGKSA-N 2 0 269.389 -0.075 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001327857070 885503236 /nfs/dbraw/zinc/50/32/36/885503236.db2.gz RJBXXHVVDJJAME-MNOVXSKESA-N 2 0 254.334 -0.498 20 30 CBEDRP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330447964 886450513 /nfs/dbraw/zinc/45/05/13/886450513.db2.gz WELKHCYTMUNFIA-KGLIPLIRSA-N 2 0 279.384 -0.079 20 30 CBEDRP C[NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001330865354 886603244 /nfs/dbraw/zinc/60/32/44/886603244.db2.gz BBRADADKEWHKMJ-AKJDGMEZSA-N 2 0 250.346 -0.149 20 30 CBEDRP C[NH2+]CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001330865355 886604483 /nfs/dbraw/zinc/60/44/83/886604483.db2.gz BBRADADKEWHKMJ-QWKFWESOSA-N 2 0 250.346 -0.149 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001331053150 886659436 /nfs/dbraw/zinc/65/94/36/886659436.db2.gz MJEQKZZDHMSTAA-SECBINFHSA-N 2 0 261.753 -0.232 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001331725901 886940138 /nfs/dbraw/zinc/94/01/38/886940138.db2.gz QXRBLMKFOJPYHD-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001331725892 886940489 /nfs/dbraw/zinc/94/04/89/886940489.db2.gz QXRBLMKFOJPYHD-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C[C@@H](C[NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331968418 887068844 /nfs/dbraw/zinc/06/88/44/887068844.db2.gz IIHHWAIPIOIKHK-MSLYCWSTSA-N 2 0 250.346 -0.163 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333179126 887555735 /nfs/dbraw/zinc/55/57/35/887555735.db2.gz SCELPFASJNFNIC-NSHDSACASA-N 2 0 282.388 -0.394 20 30 CBEDRP CN(CCC[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001333632012 887726601 /nfs/dbraw/zinc/72/66/01/887726601.db2.gz VVYGCASPNKFUPX-QWKFWESOSA-N 2 0 250.346 -0.067 20 30 CBEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001335350631 888510837 /nfs/dbraw/zinc/51/08/37/888510837.db2.gz FSOQFKZPINXKAK-AWEZNQCLSA-N 2 0 283.420 -0.970 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001340154820 889398127 /nfs/dbraw/zinc/39/81/27/889398127.db2.gz LMYSVDVNXHPTOK-CQSZACIVSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC001342355948 889758973 /nfs/dbraw/zinc/75/89/73/889758973.db2.gz VZONOZAGKSHJBD-ZDUSSCGKSA-N 2 0 292.383 -0.980 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC001346236506 890247087 /nfs/dbraw/zinc/24/70/87/890247087.db2.gz HIGYDRHKCOPAFY-OLZOCXBDSA-N 2 0 256.346 -0.957 20 30 CBEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001348973486 890741419 /nfs/dbraw/zinc/74/14/19/890741419.db2.gz RRIYAMWLIURZCN-KKUMJFAQSA-N 2 0 283.416 -0.225 20 30 CBEDRP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H](C)[NH3+] ZINC001349817069 890899267 /nfs/dbraw/zinc/89/92/67/890899267.db2.gz RSWAHVGHJJCHQM-GOZORUHBSA-N 2 0 250.346 -0.022 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001353918702 891487556 /nfs/dbraw/zinc/48/75/56/891487556.db2.gz SXCLMCRMOSAIDT-NSHDSACASA-N 2 0 255.362 -0.018 20 30 CBEDRP C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+](C)C ZINC001356597978 891784407 /nfs/dbraw/zinc/78/44/07/891784407.db2.gz WLNUPIIWADMYNM-STQMWFEESA-N 2 0 256.394 -0.020 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401565830 902168652 /nfs/dbraw/zinc/16/86/52/902168652.db2.gz VTGBYOGHRHCKFB-GHMZBOCLSA-N 2 0 275.780 -0.100 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001507228912 921760766 /nfs/dbraw/zinc/76/07/66/921760766.db2.gz XSVYBJDCRJRREK-UONOGXRCSA-N 2 0 281.400 -0.192 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507232232 921764701 /nfs/dbraw/zinc/76/47/01/921764701.db2.gz KJAKPHYEKGFTPV-CHWSQXEVSA-N 2 0 267.373 -0.582 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC001471630914 915603032 /nfs/dbraw/zinc/60/30/32/915603032.db2.gz ZTVAGMRUCICRGM-CYBMUJFWSA-N 2 0 270.377 -0.837 20 30 CBEDRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001471630145 915604023 /nfs/dbraw/zinc/60/40/23/915604023.db2.gz LIQGCAPSKZTLIU-ZIAGYGMSSA-N 2 0 296.415 -0.352 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001507263637 921792163 /nfs/dbraw/zinc/79/21/63/921792163.db2.gz ARMLOWGKBUGUQO-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=CC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001479941425 916222021 /nfs/dbraw/zinc/22/20/21/916222021.db2.gz OTHWHTYIJJEKER-AWEZNQCLSA-N 2 0 280.416 -0.142 20 30 CBEDRP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001480530628 916458821 /nfs/dbraw/zinc/45/88/21/916458821.db2.gz LCKXFVRMXKCRKW-LLVKDONJSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571576 916477214 /nfs/dbraw/zinc/47/72/14/916477214.db2.gz IVJCFLAYMAVXBQ-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[NH+](C)C ZINC001482135465 917064011 /nfs/dbraw/zinc/06/40/11/917064011.db2.gz AWDYJJKJGQWTFY-ZDUSSCGKSA-N 2 0 269.389 -0.070 20 30 CBEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482588256 917168327 /nfs/dbraw/zinc/16/83/27/917168327.db2.gz PEBKDMUABGEVGB-ZDUSSCGKSA-N 2 0 267.373 -0.270 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482742528 917249198 /nfs/dbraw/zinc/24/91/98/917249198.db2.gz RWRFWUOCSLHLAC-QWHCGFSZSA-N 2 0 267.373 -0.439 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482763924 917263876 /nfs/dbraw/zinc/26/38/76/917263876.db2.gz GBQNMQPNZWPBJU-NWDGAFQWSA-N 2 0 257.378 -0.175 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001484208058 917761555 /nfs/dbraw/zinc/76/15/55/917761555.db2.gz LGPUPFFPXBIVQT-DZGCQCFKSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239090 917786427 /nfs/dbraw/zinc/78/64/27/917786427.db2.gz QZYTWVCZEVOOSI-ZDUSSCGKSA-N 2 0 253.346 -0.876 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485994574 918290777 /nfs/dbraw/zinc/29/07/77/918290777.db2.gz BMOINIMJYFZMIZ-IJLUTSLNSA-N 2 0 255.362 -0.421 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001486031062 918321984 /nfs/dbraw/zinc/32/19/84/918321984.db2.gz BURGNVPTYFXOSY-ZIAGYGMSSA-N 2 0 299.415 -0.711 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001486041381 918337712 /nfs/dbraw/zinc/33/77/12/918337712.db2.gz PQGFUMWTQHPPBF-AWEZNQCLSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001486052474 918347054 /nfs/dbraw/zinc/34/70/54/918347054.db2.gz IJKCGROOHQBMDS-RYUDHWBXSA-N 2 0 255.362 -0.583 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001486056420 918350556 /nfs/dbraw/zinc/35/05/56/918350556.db2.gz RVKRORPFKFSJLI-HIFRSBDPSA-N 2 0 279.384 -0.438 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053364 918350630 /nfs/dbraw/zinc/35/06/30/918350630.db2.gz ZMMYPMQMQGPIML-QWHCGFSZSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053362 918350790 /nfs/dbraw/zinc/35/07/90/918350790.db2.gz ZMMYPMQMQGPIML-OLZOCXBDSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)CCC[NH+]1CCCC1 ZINC001486066361 918352229 /nfs/dbraw/zinc/35/22/29/918352229.db2.gz OVTLKMIAERZRPP-AWEZNQCLSA-N 2 0 281.400 -0.048 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001491078910 919024290 /nfs/dbraw/zinc/02/42/90/919024290.db2.gz ALLOSHCQAICTAH-BETUJISGSA-N 2 0 292.383 -0.932 20 30 CBEDRP C=CCN1CC[C@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568733 919208104 /nfs/dbraw/zinc/20/81/04/919208104.db2.gz MKXJOJMHLPOXTC-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497046251 920229504 /nfs/dbraw/zinc/22/95/04/920229504.db2.gz IBYUUKHWKQRXOH-CHWSQXEVSA-N 2 0 269.389 -0.337 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497082493 920242181 /nfs/dbraw/zinc/24/21/81/920242181.db2.gz YFCJSKVEXWLWBW-CYBMUJFWSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497113677 920251684 /nfs/dbraw/zinc/25/16/84/920251684.db2.gz LLEGNLZUWJIAMG-NEPJUHHUSA-N 2 0 253.346 -0.972 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001497361390 920292333 /nfs/dbraw/zinc/29/23/33/920292333.db2.gz FOCHUAYLKHIATH-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651150 920364284 /nfs/dbraw/zinc/36/42/84/920364284.db2.gz UTDGZXIIAIEMKM-MUBLQREKSA-N 2 0 294.399 -0.355 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498106809 920480765 /nfs/dbraw/zinc/48/07/65/920480765.db2.gz WQTBOKSSNCFJBO-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CC[NH2+]C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001498133164 920491431 /nfs/dbraw/zinc/49/14/31/920491431.db2.gz DZWVJTIRPYCWQH-LBPRGKRZSA-N 2 0 277.372 -0.214 20 30 CBEDRP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001498528839 920602472 /nfs/dbraw/zinc/60/24/72/920602472.db2.gz IGTKJCNUQFGYLM-LBPRGKRZSA-N 2 0 255.362 -0.059 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500750481 920876871 /nfs/dbraw/zinc/87/68/71/920876871.db2.gz FJYGUKBJKXZNFJ-HNNXBMFYSA-N 2 0 277.368 -0.732 20 30 CBEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762911 920880584 /nfs/dbraw/zinc/88/05/84/920880584.db2.gz RFKBFBBXUDWZDC-AWEZNQCLSA-N 2 0 267.373 -0.179 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1CCC(O)CC1 ZINC001521439430 922356060 /nfs/dbraw/zinc/35/60/60/922356060.db2.gz PQDGRWHZRBTNSX-UHFFFAOYSA-N 2 0 253.346 -0.828 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC2(C[NH2+]C2)OC(C)(C)C1 ZINC001548575415 923399235 /nfs/dbraw/zinc/39/92/35/923399235.db2.gz DRJURZSNKNMZSR-UHFFFAOYSA-N 2 0 251.330 -0.811 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180341 351579927 /nfs/dbraw/zinc/57/99/27/351579927.db2.gz FNRPILSJEYCODQ-NEPJUHHUSA-N 2 0 282.388 -0.536 20 30 CBEDRP C=CCNC(=O)C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063179611 351580763 /nfs/dbraw/zinc/58/07/63/351580763.db2.gz WZBROZTXECFTPG-NSHDSACASA-N 2 0 268.361 -0.925 20 30 CBEDRP C=CCNC(=O)NC(=O)[C@@H](C)NCC1([NH3+])CCC1 ZINC000342126747 353219026 /nfs/dbraw/zinc/21/90/26/353219026.db2.gz JOQKKJCFJFRHMX-SECBINFHSA-N 2 0 254.334 -0.142 20 30 CBEDRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444556 355248728 /nfs/dbraw/zinc/24/87/28/355248728.db2.gz SZDBTWXTAVGCCI-NWDGAFQWSA-N 2 0 296.371 -0.239 20 30 CBEDRP CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C[NH3+])C1 ZINC000594426632 355247678 /nfs/dbraw/zinc/24/76/78/355247678.db2.gz QBTIUJVIKHXYSK-VXGBXAGGSA-N 2 0 267.377 -0.501 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000594424398 355247736 /nfs/dbraw/zinc/24/77/36/355247736.db2.gz CVYBJLMLQATKRJ-ZDUSSCGKSA-N 2 0 281.404 -0.191 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)CCC[NH2+]1 ZINC000595968942 355331099 /nfs/dbraw/zinc/33/10/99/355331099.db2.gz AHEVIOGHJLPNHT-LALPHHSUSA-N 2 0 292.383 -0.545 20 30 CBEDRP C=C(CNC(=O)[C@H](C)[NH+](C)C)CNC(=O)[C@H](C)[NH+](C)C ZINC000620748752 356248874 /nfs/dbraw/zinc/24/88/74/356248874.db2.gz YIPZLVYMMKJLQQ-RYUDHWBXSA-N 2 0 284.404 -0.325 20 30 CBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCCC1 ZINC000178986954 220222139 /nfs/dbraw/zinc/22/21/39/220222139.db2.gz ZOYRHCZOKAXNMN-LBPRGKRZSA-N 2 0 251.378 -0.343 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@]1(C)CCCO1 ZINC000261772360 220244736 /nfs/dbraw/zinc/24/47/36/220244736.db2.gz OGCFJZYUHKXNCB-HIFRSBDPSA-N 2 0 295.431 -0.280 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000262011835 220247620 /nfs/dbraw/zinc/24/76/20/220247620.db2.gz UJMLPTQVGAPWKU-RYUDHWBXSA-N 2 0 270.377 -0.210 20 30 CBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262312147 220249890 /nfs/dbraw/zinc/24/98/90/220249890.db2.gz PYSIAKPMXIZEJG-CMPLNLGQSA-N 2 0 256.350 -0.864 20 30 CBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262312151 220250160 /nfs/dbraw/zinc/25/01/60/220250160.db2.gz PYSIAKPMXIZEJG-ZYHUDNBSSA-N 2 0 256.350 -0.864 20 30 CBEDRP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1CCC[N@@H+]1C ZINC000262452011 220251684 /nfs/dbraw/zinc/25/16/84/220251684.db2.gz UUDACHLRDLCBPW-QWHCGFSZSA-N 2 0 294.403 -0.287 20 30 CBEDRP CN1CC[NH+]=C1NCCN1CCC([NH+](C)C)CC1 ZINC000262631062 220253361 /nfs/dbraw/zinc/25/33/61/220253361.db2.gz FSTJBCYNRFOKHE-UHFFFAOYSA-N 2 0 253.394 -0.097 20 30 CBEDRP CN1CC[NH+]=C1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000262656643 220255474 /nfs/dbraw/zinc/25/54/74/220255474.db2.gz UQHPZKXWESLOJX-UHFFFAOYSA-N 2 0 281.404 -0.130 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262658297 220255777 /nfs/dbraw/zinc/25/57/77/220255777.db2.gz MFFYVDVPONFKLW-NWDGAFQWSA-N 2 0 253.394 -0.050 20 30 CBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCC(O)CC1 ZINC000262819387 220258453 /nfs/dbraw/zinc/25/84/53/220258453.db2.gz XTGQOGSNGGGRKL-CYBMUJFWSA-N 2 0 295.431 -0.592 20 30 CBEDRP CCOCCCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303886673 220325506 /nfs/dbraw/zinc/32/55/06/220325506.db2.gz NVVXWGIRCCLICX-UHFFFAOYSA-N 2 0 285.436 -0.045 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653117533 420118748 /nfs/dbraw/zinc/11/87/48/420118748.db2.gz OGQJEEKQXCTKQZ-WFASDCNBSA-N 2 0 279.384 -0.011 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262728028 276371202 /nfs/dbraw/zinc/37/12/02/276371202.db2.gz HPNUVACYOXJBAB-YRGRVCCFSA-N 2 0 284.404 -0.085 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262758928 276378051 /nfs/dbraw/zinc/37/80/51/276378051.db2.gz FFZOBYVJSJSYBX-UONOGXRCSA-N 3 0 294.447 -0.625 20 30 CBEDRP CNC(=O)CNC(=[NH+]C)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000262427195 277749327 /nfs/dbraw/zinc/74/93/27/277749327.db2.gz CZLBILIWSFMZRT-GFCCVEGCSA-N 2 0 281.404 -0.132 20 30 CBEDRP CN(C)C(=[NH+]CCC(=O)N1CCN(C)CC1)N(C)C ZINC000170912747 329072398 /nfs/dbraw/zinc/07/23/98/329072398.db2.gz YUYGQJDTTUVCMD-UHFFFAOYSA-N 2 0 269.393 -0.370 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)[C@H]1COCCN1CC ZINC000491462551 332215965 /nfs/dbraw/zinc/21/59/65/332215965.db2.gz JHPHEEZNUWHGCI-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000491806028 332359380 /nfs/dbraw/zinc/35/93/80/332359380.db2.gz QATCTUGGDWEKRJ-GFCCVEGCSA-N 2 0 268.361 -0.771 20 30 CBEDRP C#C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000491814431 332366011 /nfs/dbraw/zinc/36/60/11/332366011.db2.gz CVJOKWWWEYXYHZ-KBPBESRZSA-N 2 0 253.390 -0.158 20 30 CBEDRP C#C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000491814433 332366086 /nfs/dbraw/zinc/36/60/86/332366086.db2.gz CVJOKWWWEYXYHZ-UONOGXRCSA-N 2 0 253.390 -0.158 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000581776890 336145660 /nfs/dbraw/zinc/14/56/60/336145660.db2.gz CEGOOLDLZDHAPY-AWEZNQCLSA-N 2 0 295.431 -0.079 20 30 CBEDRP C=CC[C@H](CO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582003725 336189234 /nfs/dbraw/zinc/18/92/34/336189234.db2.gz WDERSHUMAXEXOQ-UONOGXRCSA-N 2 0 271.405 -0.631 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+](C)C(C)C ZINC000104191716 582113279 /nfs/dbraw/zinc/11/32/79/582113279.db2.gz LLFHAYVHCBYHPL-UHFFFAOYSA-N 2 0 285.436 -0.176 20 30 CBEDRP NC(=[NH2+])N=NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000731559512 582153161 /nfs/dbraw/zinc/15/31/61/582153161.db2.gz GOWGVBGCWAIRFB-UHFFFAOYSA-N 2 0 268.365 -0.747 20 30 CBEDRP C#CCNC(=O)CC[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000819054695 582525545 /nfs/dbraw/zinc/52/55/45/582525545.db2.gz RXJTVZDQOHKGQV-AWEZNQCLSA-N 2 0 292.427 -0.116 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000822469912 582636163 /nfs/dbraw/zinc/63/61/63/582636163.db2.gz SAMDAFXCFHDVRK-UHFFFAOYSA-N 2 0 282.388 -0.663 20 30 CBEDRP CC1CC[NH+](CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834479246 583124074 /nfs/dbraw/zinc/12/40/74/583124074.db2.gz BMDUNIOQKAJXHZ-NWDGAFQWSA-N 2 0 250.346 -0.054 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000834485058 583125080 /nfs/dbraw/zinc/12/50/80/583125080.db2.gz RDUDMBIDOZMQRC-XQHKEYJVSA-N 2 0 262.357 -0.150 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000841909792 583176435 /nfs/dbraw/zinc/17/64/35/583176435.db2.gz HUOXVUSHCGTTBL-STQMWFEESA-N 2 0 282.388 -0.301 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000846357370 583359563 /nfs/dbraw/zinc/35/95/63/583359563.db2.gz QPHLRNSCCDSNHL-UHFFFAOYSA-N 2 0 282.388 -0.663 20 30 CBEDRP C#CCC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CCOC)CC1 ZINC000846836678 583388728 /nfs/dbraw/zinc/38/87/28/583388728.db2.gz HPYPCOWAYDCKOC-HNNXBMFYSA-N 2 0 283.416 -0.434 20 30 CBEDRP CN1CC[NH+]=C1NCCCC[NH+]1CCN(C)CC1 ZINC000848989176 583464445 /nfs/dbraw/zinc/46/44/45/583464445.db2.gz CUZUQNWBKILASE-UHFFFAOYSA-N 2 0 253.394 -0.095 20 30 CBEDRP C[C@H](CNC1=[NH+]C[C@H](C)N1)C[NH+]1CCN(C)CC1 ZINC000848994714 583465494 /nfs/dbraw/zinc/46/54/94/583465494.db2.gz YIZFJCJKVVWVMV-NEPJUHHUSA-N 2 0 253.394 -0.193 20 30 CBEDRP C=CCNC(=[NH2+])NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999331 583465564 /nfs/dbraw/zinc/46/55/64/583465564.db2.gz WDZJQGDBYKVOFS-NSHDSACASA-N 2 0 267.377 -0.126 20 30 CBEDRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC1=[NH+]CCN1C ZINC000849001313 583466405 /nfs/dbraw/zinc/46/64/05/583466405.db2.gz PELNSEUUBJGMFW-LBPRGKRZSA-N 2 0 281.404 -0.180 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000849004803 583466922 /nfs/dbraw/zinc/46/69/22/583466922.db2.gz AXGKMFNDUBUDAX-CQSZACIVSA-N 2 0 297.447 -0.175 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC#N ZINC000849028014 583469487 /nfs/dbraw/zinc/46/94/87/583469487.db2.gz WWTKQBGWOOSJCA-JTQLQIEISA-N 2 0 266.349 -0.776 20 30 CBEDRP CN(CCN1CC[NH2+]CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852795504 583553050 /nfs/dbraw/zinc/55/30/50/583553050.db2.gz IJJAHVLIULXSPM-UHFFFAOYSA-N 2 0 278.400 -0.647 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852827681 583557111 /nfs/dbraw/zinc/55/71/11/583557111.db2.gz NICOHMGHGOJEFP-ZYHUDNBSSA-N 2 0 289.339 -0.017 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852863794 583563146 /nfs/dbraw/zinc/56/31/46/583563146.db2.gz IPCMKQIRNRFURB-LSDHHAIUSA-N 2 0 291.395 -0.031 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852863792 583563256 /nfs/dbraw/zinc/56/32/56/583563256.db2.gz IPCMKQIRNRFURB-GJZGRUSLSA-N 2 0 291.395 -0.031 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852875673 583566225 /nfs/dbraw/zinc/56/62/25/583566225.db2.gz NBBPNHLKBNRUDA-KHQFGBGNSA-N 2 0 276.262 -0.244 20 30 CBEDRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852880264 583566895 /nfs/dbraw/zinc/56/68/95/583566895.db2.gz LLPLSEUNYDJAGM-CYBMUJFWSA-N 2 0 293.367 -0.647 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NCC[N@@H+]1CCCOCC1 ZINC000852886532 583569073 /nfs/dbraw/zinc/56/90/73/583569073.db2.gz OUBLWOTWQJHRSH-UHFFFAOYSA-N 2 0 279.384 -0.172 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC[C@@H](O)C2)CC1 ZINC000863324367 583838494 /nfs/dbraw/zinc/83/84/94/583838494.db2.gz WTBWTIAAXGNQPE-CQSZACIVSA-N 2 0 279.384 -0.486 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502870 584129767 /nfs/dbraw/zinc/12/97/67/584129767.db2.gz PZRSXSPGWLIXKY-LLVKDONJSA-N 2 0 274.796 -0.132 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000876754869 584142757 /nfs/dbraw/zinc/14/27/57/584142757.db2.gz GMOVKJCESACWBJ-LBPRGKRZSA-N 2 0 254.378 -0.358 20 30 CBEDRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000876803340 584146675 /nfs/dbraw/zinc/14/66/75/584146675.db2.gz VVVMAPICSBSONI-CMPLNLGQSA-N 2 0 276.344 -0.714 20 30 CBEDRP C[NH2+]CCOCCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000877029408 584162717 /nfs/dbraw/zinc/16/27/17/584162717.db2.gz BMNXLXJQGCTGNL-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000900657882 584819367 /nfs/dbraw/zinc/81/93/67/584819367.db2.gz CKUALGIXFAZMLE-ZDUSSCGKSA-N 2 0 268.405 -0.144 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000968714392 612966652 /nfs/dbraw/zinc/96/66/52/612966652.db2.gz KWXGWCUKAFPEMM-CYBMUJFWSA-N 2 0 289.383 -0.118 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCO)C2)CC1 ZINC000939807876 613129750 /nfs/dbraw/zinc/12/97/50/613129750.db2.gz ARGJNURKTBKBKP-UKRRQHHQSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373243 613285393 /nfs/dbraw/zinc/28/53/93/613285393.db2.gz DSETUSYEFBSFKA-UONOGXRCSA-N 2 0 279.384 -0.630 20 30 CBEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958595459 613614650 /nfs/dbraw/zinc/61/46/50/613614650.db2.gz RTAHZMHSCZOCLF-ZIAGYGMSSA-N 2 0 291.395 -0.486 20 30 CBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262255162 656129908 /nfs/dbraw/zinc/12/99/08/656129908.db2.gz DTDQHHPXURZEQA-RYUDHWBXSA-N 2 0 269.393 -0.685 20 30 CBEDRP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000262316922 656130480 /nfs/dbraw/zinc/13/04/80/656130480.db2.gz QVPDJYZVFPZJLX-WDEREUQCSA-N 2 0 281.404 -0.135 20 30 CBEDRP CNC(=[NH2+])NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303387466 656138699 /nfs/dbraw/zinc/13/86/99/656138699.db2.gz WSVDMMPKWNLMMY-JTQLQIEISA-N 2 0 255.366 -0.537 20 30 CBEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000303389741 656138930 /nfs/dbraw/zinc/13/89/30/656138930.db2.gz CSKSBEPPDYXVIR-QWHCGFSZSA-N 2 0 283.420 -0.294 20 30 CBEDRP C[C@@H](CNC(=[NH2+])NC[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000303371363 656138936 /nfs/dbraw/zinc/13/89/36/656138936.db2.gz KXKZDAZVTUCENA-UONOGXRCSA-N 2 0 297.447 -0.047 20 30 CBEDRP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000303389743 656138986 /nfs/dbraw/zinc/13/89/86/656138986.db2.gz CSKSBEPPDYXVIR-STQMWFEESA-N 2 0 283.420 -0.294 20 30 CBEDRP [NH2+]=C(NCCC[NH+]1CCC(O)CC1)N1CCOCC1 ZINC000303889754 656139193 /nfs/dbraw/zinc/13/91/93/656139193.db2.gz MBWVNZNSLXSEKD-UHFFFAOYSA-N 2 0 270.377 -0.520 20 30 CBEDRP CCCNC(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000303775080 656139306 /nfs/dbraw/zinc/13/93/06/656139306.db2.gz GPGTUFQMGMDNMR-NSHDSACASA-N 2 0 269.393 -0.099 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C1CC1)[NH+](C)C ZINC000303876285 656139334 /nfs/dbraw/zinc/13/93/34/656139334.db2.gz IBPQYIHDUIHKCE-AWEZNQCLSA-N 2 0 297.447 -0.176 20 30 CBEDRP C[NH+](C)[C@H](CNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000303879138 656139406 /nfs/dbraw/zinc/13/94/06/656139406.db2.gz JOGGBPRMXHCJIW-CQSZACIVSA-N 2 0 297.447 -0.047 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303792187 656139437 /nfs/dbraw/zinc/13/94/37/656139437.db2.gz YFSBBGPGMUOJLG-LLVKDONJSA-N 2 0 267.377 -0.346 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(NCCN1CCOCC1)=[NH+]C ZINC000303701107 656139515 /nfs/dbraw/zinc/13/95/15/656139515.db2.gz IBJMMGSMZJVJEH-CQSZACIVSA-N 2 0 297.447 -0.032 20 30 CBEDRP CC[N@@H+]1CC[C@@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303906751 656140233 /nfs/dbraw/zinc/14/02/33/656140233.db2.gz WHCSMKBPKQCAOT-AWEZNQCLSA-N 2 0 297.447 -0.175 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303980727 656140477 /nfs/dbraw/zinc/14/04/77/656140477.db2.gz OKLGRTOOBDQIRP-CYBMUJFWSA-N 2 0 285.436 -0.047 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304690335 656140726 /nfs/dbraw/zinc/14/07/26/656140726.db2.gz HBIGVDGZPNIRQZ-GFCCVEGCSA-N 2 0 285.436 -0.048 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305797471 656141247 /nfs/dbraw/zinc/14/12/47/656141247.db2.gz GEBMOGZAOPURHO-GFCCVEGCSA-N 2 0 281.404 -0.099 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710648101 656199143 /nfs/dbraw/zinc/19/91/43/656199143.db2.gz FZSVRCSMKLWCFH-LBPRGKRZSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911701925 657106932 /nfs/dbraw/zinc/10/69/32/657106932.db2.gz HDANGZWLNDBUER-LLVKDONJSA-N 2 0 268.361 -0.782 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001016337651 657694365 /nfs/dbraw/zinc/69/43/65/657694365.db2.gz SOQGKEFHSOVPAW-UKRRQHHQSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001021090266 658151953 /nfs/dbraw/zinc/15/19/53/658151953.db2.gz QYMGFCGSLAZRBB-HDJSIYSDSA-N 2 0 279.384 -0.439 20 30 CBEDRP C#CC1(O)CC[NH+]([C@@H](C)C(=O)N2CCN(CC)CC2)CC1 ZINC000931141703 659386093 /nfs/dbraw/zinc/38/60/93/659386093.db2.gz GDKHSZSMJXZKEW-AWEZNQCLSA-N 2 0 293.411 -0.001 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCN2CCOCC2)C1 ZINC000989561063 659594121 /nfs/dbraw/zinc/59/41/21/659594121.db2.gz BIAKGLINYBBHSB-KGLIPLIRSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000092492945 790372870 /nfs/dbraw/zinc/37/28/70/790372870.db2.gz FXHYGVOKWJSMEK-UHFFFAOYSA-N 2 0 279.384 -0.220 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001022451920 791015256 /nfs/dbraw/zinc/01/52/56/791015256.db2.gz HJHKTZIGBQXSQX-VAVUMJPSSA-N 2 0 289.379 -0.280 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001077679716 805769166 /nfs/dbraw/zinc/76/91/66/805769166.db2.gz ZZTQINJZKULLTB-MGPQQGTHSA-N 2 0 279.384 -0.487 20 30 CBEDRP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078012036 805823034 /nfs/dbraw/zinc/82/30/34/805823034.db2.gz RWARWPUWNYWZOT-CHWSQXEVSA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](OC)C1 ZINC001082328772 806165311 /nfs/dbraw/zinc/16/53/11/806165311.db2.gz KIEJDNRIOYWFRN-ZIAGYGMSSA-N 2 0 291.395 -0.079 20 30 CBEDRP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053266 806480701 /nfs/dbraw/zinc/48/07/01/806480701.db2.gz XLJDUGYAWMGVFG-UPJWGTAASA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797889 798976916 /nfs/dbraw/zinc/97/69/16/798976916.db2.gz YXSYBELVTCWJLW-SBJFKYEJSA-N 2 0 289.379 -0.471 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001047510795 801890675 /nfs/dbraw/zinc/89/06/75/801890675.db2.gz AWEGDBXTPPBTFE-GJZGRUSLSA-N 2 0 293.411 -0.145 20 30 CBEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001047528203 801895329 /nfs/dbraw/zinc/89/53/29/801895329.db2.gz MZNSNAIMRFKUFN-ILXRZTDVSA-N 2 0 293.411 -0.145 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291506 814238342 /nfs/dbraw/zinc/23/83/42/814238342.db2.gz SLPWGQLFEAORLK-NSHDSACASA-N 2 0 270.377 -0.665 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570344 814949605 /nfs/dbraw/zinc/94/96/05/814949605.db2.gz BCIJXBDZDBATDK-UHFFFAOYSA-N 2 0 282.388 -0.827 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001321652263 803796502 /nfs/dbraw/zinc/79/65/02/803796502.db2.gz GBFZPBNKFTUYMA-NEPJUHHUSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=C[C@H](COC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001325843889 804324209 /nfs/dbraw/zinc/32/42/09/804324209.db2.gz KJAAQUWVQWKJPL-CHWSQXEVSA-N 2 0 257.378 -0.615 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151159422 815064681 /nfs/dbraw/zinc/06/46/81/815064681.db2.gz TUCIEVHDKAHHMQ-AWEZNQCLSA-N 2 0 297.399 -0.690 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151152065 815065889 /nfs/dbraw/zinc/06/58/89/815065889.db2.gz FBRXMHPZAIHWNT-GFCCVEGCSA-N 2 0 253.346 -0.706 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151158548 815066106 /nfs/dbraw/zinc/06/61/06/815066106.db2.gz PITNJEYUFMFFHL-CYBMUJFWSA-N 2 0 267.373 -0.316 20 30 CBEDRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152136351 815106606 /nfs/dbraw/zinc/10/66/06/815106606.db2.gz AFYHSMQPUUAEIY-VXGBXAGGSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152145905 815108509 /nfs/dbraw/zinc/10/85/09/815108509.db2.gz FYCMDKNMVGSJQY-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCO)CC1 ZINC001152330809 815115674 /nfs/dbraw/zinc/11/56/74/815115674.db2.gz VUALBDRVEHBNOE-UHFFFAOYSA-N 2 0 253.346 -0.970 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155821866 815314112 /nfs/dbraw/zinc/31/41/12/815314112.db2.gz DKSXVTFQTZJLTM-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001086371715 810265943 /nfs/dbraw/zinc/26/59/43/810265943.db2.gz UJKAAGQGXCXHER-AJNGGQMLSA-N 2 0 291.395 -0.033 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCO)C2)CC1 ZINC001086558437 810280731 /nfs/dbraw/zinc/28/07/31/810280731.db2.gz PNLMLCXAPAGFHB-CTYIDZIISA-N 2 0 293.411 -0.192 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537789 810519502 /nfs/dbraw/zinc/51/95/02/810519502.db2.gz NZIZTEDBTOQFRR-CABCVRRESA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989513 810986222 /nfs/dbraw/zinc/98/62/22/810986222.db2.gz RRYHLOWBMFBILB-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041403 811000954 /nfs/dbraw/zinc/00/09/54/811000954.db2.gz IZDIDAQVTQXUIV-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041401 811001784 /nfs/dbraw/zinc/00/17/84/811001784.db2.gz IZDIDAQVTQXUIV-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1C ZINC001106877900 811317939 /nfs/dbraw/zinc/31/79/39/811317939.db2.gz CGJIFVQCFCCMIH-ZIAGYGMSSA-N 2 0 281.400 -0.118 20 30 CBEDRP CC1([NH3+])CN(C(=O)[C@@H]([NH3+])Cc2cccc(C#N)c2)C1 ZINC001157632673 815449621 /nfs/dbraw/zinc/44/96/21/815449621.db2.gz FKXQFAOGAUITOP-LBPRGKRZSA-N 2 0 258.325 -0.012 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157981676 815494181 /nfs/dbraw/zinc/49/41/81/815494181.db2.gz GIWAXKJBKIIFEL-NEPJUHHUSA-N 2 0 267.377 -0.630 20 30 CBEDRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC001118087740 812467867 /nfs/dbraw/zinc/46/78/67/812467867.db2.gz FEIXKWHMKJYZDL-CABCVRRESA-N 2 0 297.447 -0.582 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118200531 812493668 /nfs/dbraw/zinc/49/36/68/812493668.db2.gz FDONNWSQLNEUAJ-OLZOCXBDSA-N 2 0 279.388 -0.486 20 30 CBEDRP C=CC[C@]1(C(=O)N(C)C[C@H](O)C[NH2+]C)CCC[NH2+]1 ZINC001122099064 813116903 /nfs/dbraw/zinc/11/69/03/813116903.db2.gz CODCFDXUBWQZMC-DGCLKSJQSA-N 2 0 255.362 -0.277 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660339 813741953 /nfs/dbraw/zinc/74/19/53/813741953.db2.gz WOWRVNDLXTYVFJ-YNEHKIRRSA-N 2 0 296.415 -0.277 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778465 813747011 /nfs/dbraw/zinc/74/70/11/813747011.db2.gz FQPBYENWZLARBF-NWDGAFQWSA-N 2 0 253.346 -0.259 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779277 813748564 /nfs/dbraw/zinc/74/85/64/813748564.db2.gz KPIJFPKLONUYFB-NWDGAFQWSA-N 2 0 251.330 -0.811 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364354 813840151 /nfs/dbraw/zinc/84/01/51/813840151.db2.gz SZHPSIMHBWTNJB-LBPRGKRZSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129435836 813842512 /nfs/dbraw/zinc/84/25/12/813842512.db2.gz JQOUUMXFBOCVRS-ZDUSSCGKSA-N 2 0 282.388 -0.665 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535500 813849332 /nfs/dbraw/zinc/84/93/32/813849332.db2.gz VHJBNQISVSUOLC-GFCCVEGCSA-N 2 0 294.399 -0.686 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848301 814192628 /nfs/dbraw/zinc/19/26/28/814192628.db2.gz DLYNYTBZHPOUNT-AWEZNQCLSA-N 2 0 297.399 -0.549 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994827 814205885 /nfs/dbraw/zinc/20/58/85/814205885.db2.gz CZUANYCCUDMUGJ-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133831014 814302596 /nfs/dbraw/zinc/30/25/96/814302596.db2.gz GNMDZTIAAYGWOV-GFCCVEGCSA-N 2 0 282.388 -0.521 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849627 814306804 /nfs/dbraw/zinc/30/68/04/814306804.db2.gz AYVHZEMGEYJXRX-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849629 814308093 /nfs/dbraw/zinc/30/80/93/814308093.db2.gz AYVHZEMGEYJXRX-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849620 814309277 /nfs/dbraw/zinc/30/92/77/814309277.db2.gz AQCSTRJQVWHVEF-STQMWFEESA-N 2 0 296.415 -0.275 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869123 814313412 /nfs/dbraw/zinc/31/34/12/814313412.db2.gz BIDGCDRCJRMJEJ-QWHCGFSZSA-N 2 0 267.373 -0.460 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876950 814921164 /nfs/dbraw/zinc/92/11/64/814921164.db2.gz AELUGJOJNVFQQY-GFCCVEGCSA-N 2 0 282.388 -0.664 20 30 CBEDRP C=CCN1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160437406 815622659 /nfs/dbraw/zinc/62/26/59/815622659.db2.gz VHNINBZUXLSVHB-AWEZNQCLSA-N 2 0 295.431 -0.933 20 30 CBEDRP N#C[C@@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160643088 815650925 /nfs/dbraw/zinc/65/09/25/815650925.db2.gz XOURFBWJMAQQLU-WCQYABFASA-N 2 0 279.388 -0.501 20 30 CBEDRP CCCCN(CC#N)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160730362 815665703 /nfs/dbraw/zinc/66/57/03/815665703.db2.gz QHGQNITZSIZRHT-LLVKDONJSA-N 2 0 250.346 -0.052 20 30 CBEDRP N#C[C@@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160933514 815687993 /nfs/dbraw/zinc/68/79/93/815687993.db2.gz LNKCLCXTJOVUTR-NEPJUHHUSA-N 2 0 278.356 -0.388 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC[C@@H]1C#N ZINC001160934210 815688024 /nfs/dbraw/zinc/68/80/24/815688024.db2.gz YFIFCAPLPLRQEJ-QWRGUYRKSA-N 2 0 254.334 -0.546 20 30 CBEDRP N#C[C@H]1COCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160933516 815688286 /nfs/dbraw/zinc/68/82/86/815688286.db2.gz LNKCLCXTJOVUTR-RYUDHWBXSA-N 2 0 278.356 -0.388 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCOC[C@H]1C#N ZINC001160934209 815688935 /nfs/dbraw/zinc/68/89/35/815688935.db2.gz YFIFCAPLPLRQEJ-MNOVXSKESA-N 2 0 254.334 -0.546 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161139452 815720401 /nfs/dbraw/zinc/72/04/01/815720401.db2.gz UTXUGURGZXCJKY-GUBZILKMSA-N 2 0 252.293 -0.742 20 30 CBEDRP CC[N@H+](C)C(C)(C)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161251309 815734033 /nfs/dbraw/zinc/73/40/33/815734033.db2.gz NNGPJTRVPCJRIE-UHFFFAOYSA-N 2 0 297.403 -0.548 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CCO[C@@H](C[NH+]2CCCC2)C1 ZINC001161389273 815750319 /nfs/dbraw/zinc/75/03/19/815750319.db2.gz PVOOEVAVTXAUEC-JSGCOSHPSA-N 2 0 265.357 -0.340 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161479809 815758344 /nfs/dbraw/zinc/75/83/44/815758344.db2.gz MCXMUWXKRQHXER-SWHYSGLUSA-N 2 0 279.340 -0.909 20 30 CBEDRP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161537064 815769645 /nfs/dbraw/zinc/76/96/45/815769645.db2.gz OZJDIXHBDDKQEG-RYUDHWBXSA-N 2 0 298.387 -0.044 20 30 CBEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001317119071 816933815 /nfs/dbraw/zinc/93/38/15/816933815.db2.gz HNNZHLPNUACOKB-BETUJISGSA-N 2 0 267.373 -0.175 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317281593 816957107 /nfs/dbraw/zinc/95/71/07/816957107.db2.gz DSDJVSSYYDDUJZ-OLZOCXBDSA-N 2 0 296.415 -0.275 20 30 CBEDRP CN(CCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC001317451498 816983148 /nfs/dbraw/zinc/98/31/48/816983148.db2.gz NJMNXNBKXLPJIN-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]1CCCC1 ZINC001319575047 817220642 /nfs/dbraw/zinc/22/06/42/817220642.db2.gz SONUFDNMMJJYIE-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320232299 817300361 /nfs/dbraw/zinc/30/03/61/817300361.db2.gz OESHSEDBXUGDNY-KBPBESRZSA-N 2 0 281.400 -0.029 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001320242284 817302465 /nfs/dbraw/zinc/30/24/65/817302465.db2.gz LIIALFVRTSMDCY-ZDUSSCGKSA-N 2 0 279.384 -0.295 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320315552 817320873 /nfs/dbraw/zinc/32/08/73/817320873.db2.gz JAEGIKNUOAFVIA-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CC#CC)CC1 ZINC001320318820 817322086 /nfs/dbraw/zinc/32/20/86/817322086.db2.gz ZDOYTJQJQDZLIA-HNNXBMFYSA-N 2 0 291.395 -0.578 20 30 CBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320921630 817410685 /nfs/dbraw/zinc/41/06/85/817410685.db2.gz OFERAIWGUDIPAZ-GFCCVEGCSA-N 2 0 295.387 -0.984 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367356 819958420 /nfs/dbraw/zinc/95/84/20/819958420.db2.gz UMKIWNFVQAFJQW-UHFFFAOYSA-N 2 0 284.404 -0.274 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166633143 820009253 /nfs/dbraw/zinc/00/92/53/820009253.db2.gz AHOYHNQZOCVXDB-ZDUSSCGKSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626252 820009292 /nfs/dbraw/zinc/00/92/92/820009292.db2.gz CQPXHKFSIQJZNY-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001166714159 820018570 /nfs/dbraw/zinc/01/85/70/820018570.db2.gz HCYALXDLVYSJPV-KBPBESRZSA-N 2 0 281.400 -0.070 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168762749 820179772 /nfs/dbraw/zinc/17/97/72/820179772.db2.gz HZAMQRPMHWEYCE-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170221573 820282080 /nfs/dbraw/zinc/28/20/80/820282080.db2.gz DWXFERPTZUPNFV-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204918 820348711 /nfs/dbraw/zinc/34/87/11/820348711.db2.gz IBTGKPVMJNEUKD-UHFFFAOYSA-N 2 0 285.388 -0.690 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176981046 820485557 /nfs/dbraw/zinc/48/55/57/820485557.db2.gz YPWBZMLVHCZMLE-UHFFFAOYSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121262 821212054 /nfs/dbraw/zinc/21/20/54/821212054.db2.gz GCQHNPFLXYBAOF-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001187817870 822298291 /nfs/dbraw/zinc/29/82/91/822298291.db2.gz KRORVEZSPNVMHX-CHWSQXEVSA-N 2 0 294.399 -0.569 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187842386 822300502 /nfs/dbraw/zinc/30/05/02/822300502.db2.gz LWTKGHBNMVFNCF-CQSZACIVSA-N 2 0 279.384 -0.078 20 30 CBEDRP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001283713488 828535749 /nfs/dbraw/zinc/53/57/49/828535749.db2.gz ILFPQAWAYQVMFA-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001283805778 828550655 /nfs/dbraw/zinc/55/06/55/828550655.db2.gz ZYUJCBIXUGNZKB-ZDUSSCGKSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001283815031 828552324 /nfs/dbraw/zinc/55/23/24/828552324.db2.gz BSPPKUPIFNDCRH-GFCCVEGCSA-N 2 0 267.373 -0.275 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283826556 828554192 /nfs/dbraw/zinc/55/41/92/828554192.db2.gz XLTUFWRXZOUREP-CHWSQXEVSA-N 2 0 269.389 -0.337 20 30 CBEDRP C=CCCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283827747 828554790 /nfs/dbraw/zinc/55/47/90/828554790.db2.gz REJMHFAWQIYMMI-OLZOCXBDSA-N 2 0 269.389 -0.029 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001284467543 828599482 /nfs/dbraw/zinc/59/94/82/828599482.db2.gz KLHLJPSVQNKFSC-KBPBESRZSA-N 2 0 299.415 -0.450 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001193447576 824028869 /nfs/dbraw/zinc/02/88/69/824028869.db2.gz SGDNDJHVJYEBFT-MGPQQGTHSA-N 2 0 299.390 -0.149 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111811 824249781 /nfs/dbraw/zinc/24/97/81/824249781.db2.gz NHAILDMFEACRGV-ZIAGYGMSSA-N 2 0 299.415 -0.310 20 30 CBEDRP CC#CC[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199942993 824297192 /nfs/dbraw/zinc/29/71/92/824297192.db2.gz DEUPSEZLBVAOSW-AWEZNQCLSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863737 824337273 /nfs/dbraw/zinc/33/72/73/824337273.db2.gz PCUFQAWXCHYKSY-CQSZACIVSA-N 2 0 297.399 -0.595 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057236 824341259 /nfs/dbraw/zinc/34/12/59/824341259.db2.gz FUHCLOYZYYVFCX-KBPBESRZSA-N 2 0 279.384 -0.222 20 30 CBEDRP C[NH+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209420193 824470653 /nfs/dbraw/zinc/47/06/53/824470653.db2.gz SASJFLDPORNGHR-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP N#Cc1cnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218504809 824573952 /nfs/dbraw/zinc/57/39/52/824573952.db2.gz UFMBQZNCEJSIGX-NSHDSACASA-N 2 0 260.301 -0.386 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C[NH2+]CC2 ZINC001218554777 824590014 /nfs/dbraw/zinc/59/00/14/824590014.db2.gz WTOPXNIFLCTEFL-GMSGAONNSA-N 2 0 292.364 -0.073 20 30 CBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219617964 824859455 /nfs/dbraw/zinc/85/94/55/824859455.db2.gz SMJUSNAVUCUMMI-RBLKWDMZSA-N 2 0 257.309 -0.932 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1OC[C@@H]2CC[NH2+]C[C@@H]21 ZINC001219852081 824903405 /nfs/dbraw/zinc/90/34/05/824903405.db2.gz LFAODYJVJAZNMZ-KQXIARHKSA-N 2 0 251.330 -0.922 20 30 CBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001219875223 824905406 /nfs/dbraw/zinc/90/54/06/824905406.db2.gz UGGVGDFIPXIXJP-MCIONIFRSA-N 2 0 299.415 -0.310 20 30 CBEDRP N#CN=C(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)c1ccncc1 ZINC001219972222 824925574 /nfs/dbraw/zinc/92/55/74/824925574.db2.gz MPRCWRNBJNPBNB-GFCCVEGCSA-N 2 0 286.339 -0.248 20 30 CBEDRP N#CCCCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220191853 824984819 /nfs/dbraw/zinc/98/48/19/824984819.db2.gz QZJSKEBBLNTNIX-DGCLKSJQSA-N 2 0 250.346 -0.004 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230903 824991361 /nfs/dbraw/zinc/99/13/61/824991361.db2.gz TZNSOBIGXRSPQU-OLZOCXBDSA-N 2 0 279.384 -0.487 20 30 CBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276967 825003373 /nfs/dbraw/zinc/00/33/73/825003373.db2.gz PIEWLCXWUFJCDM-OLZOCXBDSA-N 2 0 285.388 -0.698 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NCc1ncn2c1C[NH2+]CCC2 ZINC001220311348 825011320 /nfs/dbraw/zinc/01/13/20/825011320.db2.gz MYJDJICPSGWUPH-ZDUSSCGKSA-N 2 0 261.329 -0.657 20 30 CBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)OCC ZINC001220570823 825064405 /nfs/dbraw/zinc/06/44/05/825064405.db2.gz AUHTZOZHTPNTNS-BREBYQMCSA-N 2 0 269.345 -0.323 20 30 CBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220571767 825066506 /nfs/dbraw/zinc/06/65/06/825066506.db2.gz ZHHPAFFYWVWNNH-JMSVASOKSA-N 2 0 295.383 -0.063 20 30 CBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582762 825070279 /nfs/dbraw/zinc/07/02/79/825070279.db2.gz CPMVUCUXGZSHAC-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP N=C(NC(=O)[C@@H]([NH3+])CCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643358 825079337 /nfs/dbraw/zinc/07/93/37/825079337.db2.gz BSTGOTNNOGQWBM-JTQLQIEISA-N 2 0 277.328 -0.916 20 30 CBEDRP C=CCCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764225 825098769 /nfs/dbraw/zinc/09/87/69/825098769.db2.gz DBAPXUZSVKQANY-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1O ZINC001220868451 825115949 /nfs/dbraw/zinc/11/59/49/825115949.db2.gz KIRWGNTZYVFTQZ-SRVKXCTJSA-N 2 0 253.346 -0.667 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CCN1 ZINC001220868608 825117021 /nfs/dbraw/zinc/11/70/21/825117021.db2.gz LWXHIALNLVVVOS-RYUDHWBXSA-N 2 0 252.362 -0.686 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1N ZINC001220868723 825117262 /nfs/dbraw/zinc/11/72/62/825117262.db2.gz QKUJMEIQTCXCKD-SRVKXCTJSA-N 2 0 252.362 -0.700 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC001220868718 825117295 /nfs/dbraw/zinc/11/72/95/825117295.db2.gz PYXFETHLWQAZFJ-QJPTWQEYSA-N 2 0 253.346 -0.524 20 30 CBEDRP N#CC1(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCOCC1 ZINC001220966967 825129711 /nfs/dbraw/zinc/12/97/11/825129711.db2.gz MWBLQRJAXBZHPS-LLVKDONJSA-N 2 0 266.345 -0.498 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089701 825142711 /nfs/dbraw/zinc/14/27/11/825142711.db2.gz NHAILDMFEACRGV-KGLIPLIRSA-N 2 0 299.415 -0.310 20 30 CBEDRP C#C[C@](C)(N)C(=O)N(CC[NH+](CC)CC)C(N)=[NH2+] ZINC001221390692 825180216 /nfs/dbraw/zinc/18/02/16/825180216.db2.gz UAYHWRSCSVVTAF-LBPRGKRZSA-N 2 0 253.350 -0.599 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NCCOCC[NH+](C)C ZINC001226575673 825281777 /nfs/dbraw/zinc/28/17/77/825281777.db2.gz QGYIFMFEZRBFBT-UHFFFAOYSA-N 2 0 270.377 -0.571 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)COCC[NH+](C)C)CC1 ZINC001230048767 825341823 /nfs/dbraw/zinc/34/18/23/825341823.db2.gz RSIBCISZDMVBBB-UHFFFAOYSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245989101 825617566 /nfs/dbraw/zinc/61/75/66/825617566.db2.gz XVRLYZSCKMXQEM-UONOGXRCSA-N 2 0 281.400 -0.539 20 30 CBEDRP C=CCC[C@@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246053408 825630628 /nfs/dbraw/zinc/63/06/28/825630628.db2.gz HRNQHCILJVELSU-CQSZACIVSA-N 2 0 270.421 -0.602 20 30 CBEDRP N#C[C@@H]1C[C@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CCN1 ZINC001246404836 825671700 /nfs/dbraw/zinc/67/17/00/825671700.db2.gz LULHRLBWWSTUEG-VWYCJHECSA-N 2 0 253.350 -0.797 20 30 CBEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246554475 825684922 /nfs/dbraw/zinc/68/49/22/825684922.db2.gz VGIMOPJCDWQFMO-YNEHKIRRSA-N 2 0 252.362 -0.194 20 30 CBEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCCC[C@@](O)(C[NH3+])C2)CCN1 ZINC001246555039 825685072 /nfs/dbraw/zinc/68/50/72/825685072.db2.gz ARFGNMCIUOKEGP-YNEHKIRRSA-N 2 0 252.362 -0.194 20 30 CBEDRP CC[C@H](CC#N)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246821376 825715980 /nfs/dbraw/zinc/71/59/80/825715980.db2.gz OIBMCASLJNXSCH-CYBMUJFWSA-N 2 0 253.394 -0.237 20 30 CBEDRP C#CCOC[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001251821397 825789906 /nfs/dbraw/zinc/78/99/06/825789906.db2.gz NRBCZPQROQDFNV-AWEZNQCLSA-N 2 0 269.389 -0.824 20 30 CBEDRP C#CCOC[C@@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001251840754 825794232 /nfs/dbraw/zinc/79/42/32/825794232.db2.gz UTDUFIMTBNMBQE-RDBSUJKOSA-N 2 0 252.358 -0.119 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[NH+](CC)C[C@@H]2C1 ZINC001251861043 825797834 /nfs/dbraw/zinc/79/78/34/825797834.db2.gz ZEIKTMAWJYKNCX-MGPQQGTHSA-N 2 0 252.358 -0.119 20 30 CBEDRP C#CCOC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001251861044 825799179 /nfs/dbraw/zinc/79/91/79/825799179.db2.gz ZEIKTMAWJYKNCX-MJBXVCDLSA-N 2 0 252.358 -0.119 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001251903172 825805099 /nfs/dbraw/zinc/80/50/99/825805099.db2.gz GCTQLJBEGMFWGD-HNNXBMFYSA-N 2 0 282.384 -0.303 20 30 CBEDRP C=CCOC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252470365 825869966 /nfs/dbraw/zinc/86/99/66/825869966.db2.gz KFWJOXPZDNWNIL-AWEZNQCLSA-N 2 0 299.415 -0.354 20 30 CBEDRP N#C[C@@H]1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001254650033 825966860 /nfs/dbraw/zinc/96/68/60/825966860.db2.gz SHZHAHZBEDLTBL-NXEZZACHSA-N 2 0 256.310 -0.183 20 30 CBEDRP N#C[C@@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001254650044 825966899 /nfs/dbraw/zinc/96/68/99/825966899.db2.gz SHZHAHZBEDLTBL-ZJUUUORDSA-N 2 0 256.310 -0.183 20 30 CBEDRP N#C[C@H]1CC[C@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001254650042 825967028 /nfs/dbraw/zinc/96/70/28/825967028.db2.gz SHZHAHZBEDLTBL-UWVGGRQHSA-N 2 0 256.310 -0.183 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC001263102986 826738620 /nfs/dbraw/zinc/73/86/20/826738620.db2.gz KGHDSYXOUQVQPT-ZDUSSCGKSA-N 2 0 266.389 -0.649 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001263173604 826749173 /nfs/dbraw/zinc/74/91/73/826749173.db2.gz FUYXYCYOOIVMBE-GWCFXTLKSA-N 2 0 266.345 -0.334 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1NC(=O)C[C@]12CC[NH2+]C2 ZINC001263173606 826749413 /nfs/dbraw/zinc/74/94/13/826749413.db2.gz FUYXYCYOOIVMBE-MFKMUULPSA-N 2 0 266.345 -0.334 20 30 CBEDRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001263186973 826751803 /nfs/dbraw/zinc/75/18/03/826751803.db2.gz VJQRRVYNUVYACI-SSTAHTEZSA-N 2 0 262.357 -0.150 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265496519 826899552 /nfs/dbraw/zinc/89/95/52/826899552.db2.gz XPNDLFKJTQNRMJ-AVGNSLFASA-N 2 0 296.415 -0.134 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266616627 827033481 /nfs/dbraw/zinc/03/34/81/827033481.db2.gz FKBPAUFKORKWTK-AVGNSLFASA-N 2 0 296.415 -0.134 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744002 827059626 /nfs/dbraw/zinc/05/96/26/827059626.db2.gz NDLKEZVTPJVAAN-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266963289 827098184 /nfs/dbraw/zinc/09/81/84/827098184.db2.gz CPYRJIRHTHLXSR-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCO)CC1 ZINC001267474066 827176558 /nfs/dbraw/zinc/17/65/58/827176558.db2.gz NZZIPKLLSCGCQW-UHFFFAOYSA-N 2 0 281.400 -0.238 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267798333 827222033 /nfs/dbraw/zinc/22/20/33/827222033.db2.gz FYQXOTDGRRJRHV-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267798334 827222970 /nfs/dbraw/zinc/22/29/70/827222970.db2.gz FYQXOTDGRRJRHV-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001267798336 827223295 /nfs/dbraw/zinc/22/32/95/827223295.db2.gz FYQXOTDGRRJRHV-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001268314814 827294718 /nfs/dbraw/zinc/29/47/18/827294718.db2.gz LSHVPXWUUCXUFH-VXGBXAGGSA-N 2 0 253.346 -0.829 20 30 CBEDRP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268784540 827421146 /nfs/dbraw/zinc/42/11/46/827421146.db2.gz XDWZRJJAZPPBBZ-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001270594753 827581058 /nfs/dbraw/zinc/58/10/58/827581058.db2.gz JKWYELJBMHRJKC-OLZOCXBDSA-N 2 0 294.399 -0.971 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270594755 827581839 /nfs/dbraw/zinc/58/18/39/827581839.db2.gz JKWYELJBMHRJKC-QWHCGFSZSA-N 2 0 294.399 -0.971 20 30 CBEDRP C#CCCN1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271387843 827697860 /nfs/dbraw/zinc/69/78/60/827697860.db2.gz GRNWODNKHZDZAC-LBPRGKRZSA-N 2 0 265.357 -0.876 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](CC)[NH+](C)C ZINC001272196501 827769303 /nfs/dbraw/zinc/76/93/03/827769303.db2.gz LXZOCPMODDPEAB-GFCCVEGCSA-N 2 0 255.362 -0.630 20 30 CBEDRP C#CCN1C[C@@]2(CC[N@H+](CC3CC[NH2+]CC3)C2)OCC1=O ZINC001273030886 827857581 /nfs/dbraw/zinc/85/75/81/827857581.db2.gz QPKXYMJFIUFEKM-INIZCTEOSA-N 2 0 291.395 -0.078 20 30 CBEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCO1 ZINC001273244375 827876215 /nfs/dbraw/zinc/87/62/15/827876215.db2.gz PZBQWKOQVNNQPT-ZIAGYGMSSA-N 2 0 295.383 -0.843 20 30 CBEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274942280 828044425 /nfs/dbraw/zinc/04/44/25/828044425.db2.gz WDHSEHMFRWXFAO-AWEZNQCLSA-N 2 0 293.411 -0.096 20 30 CBEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001275800799 828116269 /nfs/dbraw/zinc/11/62/69/828116269.db2.gz LFSAETMGXWHXBF-KBPBESRZSA-N 2 0 297.399 -0.597 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CCCO)CC2)CC1 ZINC001277259610 828180857 /nfs/dbraw/zinc/18/08/57/828180857.db2.gz OXJLJKSFEPFWSB-UHFFFAOYSA-N 2 0 293.411 -0.048 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001278106229 828249088 /nfs/dbraw/zinc/24/90/88/828249088.db2.gz WZDHGQKKZVXGQU-LBPRGKRZSA-N 2 0 286.335 -0.044 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278826227 828293504 /nfs/dbraw/zinc/29/35/04/828293504.db2.gz BAZCFUATIPIMPM-QWHCGFSZSA-N 2 0 267.373 -0.630 20 30 CBEDRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC001349386142 890805464 /nfs/dbraw/zinc/80/54/64/890805464.db2.gz JVNMYOUOFKMLJD-LBPRGKRZSA-N 2 0 267.377 -0.629 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213378625 884777856 /nfs/dbraw/zinc/77/78/56/884777856.db2.gz ZLNPNYQWTANNIE-CHWSQXEVSA-N 2 0 267.373 -0.223 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001327129699 885266402 /nfs/dbraw/zinc/26/64/02/885266402.db2.gz AUDNLMHZXJVAJV-QWRGUYRKSA-N 2 0 254.334 -0.498 20 30 CBEDRP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330447962 886450349 /nfs/dbraw/zinc/45/03/49/886450349.db2.gz WELKHCYTMUNFIA-KBPBESRZSA-N 2 0 279.384 -0.079 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H](C[NH3+])C1CC1)C2 ZINC001331956973 887059831 /nfs/dbraw/zinc/05/98/31/887059831.db2.gz HECZUYVQBFGZNI-CBKZZEEASA-N 2 0 262.357 -0.021 20 30 CBEDRP C[NH2+]CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331970532 887072737 /nfs/dbraw/zinc/07/27/37/887072737.db2.gz WESAAUREYMCBGH-QWKFWESOSA-N 2 0 250.346 -0.196 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC001336763321 888870797 /nfs/dbraw/zinc/87/07/97/888870797.db2.gz OYXADGHGSQFFSM-ZDUSSCGKSA-N 2 0 266.389 -0.649 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001340907990 889512130 /nfs/dbraw/zinc/51/21/30/889512130.db2.gz OARQYWLAOBQVMK-GRYCIOLGSA-N 2 0 262.357 -0.006 20 30 CBEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC001343422904 889907569 /nfs/dbraw/zinc/90/75/69/889907569.db2.gz AQUQGMIRCXZHMX-VXGBXAGGSA-N 2 0 253.346 -0.565 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128972979 884669430 /nfs/dbraw/zinc/66/94/30/884669430.db2.gz PVRFTUFNPPYXCB-NSHDSACASA-N 2 0 291.355 -0.814 20 30 CBEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001326020757 884876266 /nfs/dbraw/zinc/87/62/66/884876266.db2.gz CDQBALKKLNUGOU-CHWSQXEVSA-N 2 0 269.389 -0.077 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C1([NH+](C)C)CCC1 ZINC001326034159 884879530 /nfs/dbraw/zinc/87/95/30/884879530.db2.gz SDGKTCTZMMKEAX-UHFFFAOYSA-N 2 0 267.373 -0.486 20 30 CBEDRP C=CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001326149547 884924450 /nfs/dbraw/zinc/92/44/50/884924450.db2.gz YAOSXQUZTCEEHI-CYBMUJFWSA-N 2 0 269.389 -0.075 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC[NH2+]C1CC1)C2 ZINC001330866316 886605215 /nfs/dbraw/zinc/60/52/15/886605215.db2.gz HBFWWKJYPJUYBW-IQLKVPPVSA-N 2 0 262.357 -0.006 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H](C[NH3+])C1CC1)C2 ZINC001331956970 887062490 /nfs/dbraw/zinc/06/24/90/887062490.db2.gz HECZUYVQBFGZNI-ATJQQHLPSA-N 2 0 262.357 -0.021 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332491245 887318907 /nfs/dbraw/zinc/31/89/07/887318907.db2.gz SCSNWKRGNKPFIM-RYUDHWBXSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332491244 887319610 /nfs/dbraw/zinc/31/96/10/887319610.db2.gz SCSNWKRGNKPFIM-NWDGAFQWSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001332575526 887361099 /nfs/dbraw/zinc/36/10/99/887361099.db2.gz PWTXDJVBKAJEAM-YNEHKIRRSA-N 2 0 290.367 -0.434 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC#C ZINC001332631802 887384443 /nfs/dbraw/zinc/38/44/43/887384443.db2.gz KPRKZBWPUWYGRV-GJZGRUSLSA-N 2 0 291.395 -0.532 20 30 CBEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)[C@H]1CC[NH2+]C1 ZINC001333632259 887725239 /nfs/dbraw/zinc/72/52/39/887725239.db2.gz XDLHPBPNPYGHBC-ATJQQHLPSA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC001336763320 888872193 /nfs/dbraw/zinc/87/21/93/888872193.db2.gz OYXADGHGSQFFSM-CYBMUJFWSA-N 2 0 266.389 -0.649 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCNCC[NH2+]CC1 ZINC001336893876 888909936 /nfs/dbraw/zinc/90/99/36/888909936.db2.gz LHSISTIUFBMZCE-UHFFFAOYSA-N 2 0 281.404 -0.854 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC001340154819 889399424 /nfs/dbraw/zinc/39/94/24/889399424.db2.gz LMYSVDVNXHPTOK-AWEZNQCLSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC001341719893 889651882 /nfs/dbraw/zinc/65/18/82/889651882.db2.gz BXCXWWRHQUBMRO-UHFFFAOYSA-N 2 0 295.383 -0.400 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001342143376 889719859 /nfs/dbraw/zinc/71/98/59/889719859.db2.gz RDAAHDPKICWBRL-MELADBBJSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC001342143377 889720423 /nfs/dbraw/zinc/72/04/23/889720423.db2.gz RDAAHDPKICWBRL-MJBXVCDLSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC001342143375 889720495 /nfs/dbraw/zinc/72/04/95/889720495.db2.gz RDAAHDPKICWBRL-IHRRRGAJSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC001343422902 889906474 /nfs/dbraw/zinc/90/64/74/889906474.db2.gz AQUQGMIRCXZHMX-RYUDHWBXSA-N 2 0 253.346 -0.565 20 30 CBEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC001345767463 890161659 /nfs/dbraw/zinc/16/16/59/890161659.db2.gz TXIRYWPTGKRSFD-CHWSQXEVSA-N 2 0 281.404 -0.240 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC001346452967 890293456 /nfs/dbraw/zinc/29/34/56/890293456.db2.gz FBMFYUZFJWRLDG-HAQNSBGRSA-N 2 0 252.362 -0.022 20 30 CBEDRP C=CCN1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001348958167 890738584 /nfs/dbraw/zinc/73/85/84/890738584.db2.gz PGJZLUBYJOZPDT-INIZCTEOSA-N 2 0 296.459 -0.165 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[NH2+]1)C2 ZINC001349808206 890894809 /nfs/dbraw/zinc/89/48/09/890894809.db2.gz MGEBANKFXMCSKQ-BEVNXUHPSA-N 2 0 262.357 -0.006 20 30 CBEDRP C#CCNC(=O)CC[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC001356609821 891782677 /nfs/dbraw/zinc/78/26/77/891782677.db2.gz UATDUYAAZREZJO-CQSZACIVSA-N 2 0 280.416 -0.259 20 30 CBEDRP C#CCn1cc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001357167408 891854420 /nfs/dbraw/zinc/85/44/20/891854420.db2.gz VGXAFLRKJLVRKF-HNNXBMFYSA-N 2 0 291.399 -0.786 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507064447 921664938 /nfs/dbraw/zinc/66/49/38/921664938.db2.gz VNFCCVGPPQVKFA-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001507200642 921735665 /nfs/dbraw/zinc/73/56/65/921735665.db2.gz BURGNVPTYFXOSY-KBPBESRZSA-N 2 0 299.415 -0.711 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001507228910 921760508 /nfs/dbraw/zinc/76/05/08/921760508.db2.gz XSVYBJDCRJRREK-KBPBESRZSA-N 2 0 281.400 -0.192 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC001471631221 915610438 /nfs/dbraw/zinc/61/04/38/915610438.db2.gz VKQMQNQHPYDQCB-OLZOCXBDSA-N 2 0 264.373 -0.103 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480619475 916494853 /nfs/dbraw/zinc/49/48/53/916494853.db2.gz CLBDCXLKIQZPHU-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)Cn1ccnc1C ZINC001483294339 917510236 /nfs/dbraw/zinc/51/02/36/917510236.db2.gz XBKXVRFVEVSJFA-NSHDSACASA-N 2 0 291.355 -0.965 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001484208065 917763316 /nfs/dbraw/zinc/76/33/16/917763316.db2.gz LGPUPFFPXBIVQT-UKRRQHHQSA-N 2 0 279.384 -0.343 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238940 917784158 /nfs/dbraw/zinc/78/41/58/917784158.db2.gz NPZRMSUEANEVOF-CQSZACIVSA-N 2 0 267.373 -0.486 20 30 CBEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484247213 917793651 /nfs/dbraw/zinc/79/36/51/917793651.db2.gz RIWHZGAYKZFRBE-INIZCTEOSA-N 2 0 291.395 -0.342 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484897338 917961962 /nfs/dbraw/zinc/96/19/62/917961962.db2.gz KBKWNQHBQHEXPM-CHWSQXEVSA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485228532 918032847 /nfs/dbraw/zinc/03/28/47/918032847.db2.gz VIESKQRNHQWEGK-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485225084 918034492 /nfs/dbraw/zinc/03/44/92/918034492.db2.gz HNSQMIBUOIVRGR-VXGBXAGGSA-N 2 0 295.387 -0.795 20 30 CBEDRP COCC#CC[NH2+][C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001491640784 919238287 /nfs/dbraw/zinc/23/82/87/919238287.db2.gz MCRVQAOBRMYSIR-CYBMUJFWSA-N 2 0 279.384 -0.174 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001491748439 919268680 /nfs/dbraw/zinc/26/86/80/919268680.db2.gz XUBMXUOANYXMCR-ZDUSSCGKSA-N 2 0 294.399 -0.732 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491992141 919306405 /nfs/dbraw/zinc/30/64/05/919306405.db2.gz KSRPRJTWYNQMHI-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001493575236 919581036 /nfs/dbraw/zinc/58/10/36/919581036.db2.gz VUAZRHNJQQSKPS-UHFFFAOYSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CC(=O)NC)CC1 ZINC001493806710 919623701 /nfs/dbraw/zinc/62/37/01/919623701.db2.gz NMGOWBSYIJFOLU-UHFFFAOYSA-N 2 0 294.399 -0.874 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497031465 920217312 /nfs/dbraw/zinc/21/73/12/920217312.db2.gz APTHDTGPYIWZPJ-ZDUSSCGKSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497495585 920312486 /nfs/dbraw/zinc/31/24/86/920312486.db2.gz JNRSQQROHDYOSF-CYBMUJFWSA-N 2 0 294.399 -0.874 20 30 CBEDRP C#CC[NH2+]C/C=C\CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001497697392 920373668 /nfs/dbraw/zinc/37/36/68/920373668.db2.gz MGUIBBHBKOGART-WAYWQWQTSA-N 2 0 289.383 -0.047 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001498114296 920484581 /nfs/dbraw/zinc/48/45/81/920484581.db2.gz GHUODVWHDFAZFF-AVGNSLFASA-N 2 0 296.415 -0.441 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500724621 920866857 /nfs/dbraw/zinc/86/68/57/920866857.db2.gz GNORSRUHXMBRFK-DZGCQCFKSA-N 2 0 279.384 -0.486 20 30 CBEDRP C=CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500722064 920867173 /nfs/dbraw/zinc/86/71/73/920867173.db2.gz LISIFVZEPJEGCM-ZDUSSCGKSA-N 2 0 255.362 -0.323 20 30 CBEDRP CNC(=[NH2+])NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066245395 351598015 /nfs/dbraw/zinc/59/80/15/351598015.db2.gz ZDWFVYZOYAGNHW-CYBMUJFWSA-N 2 0 262.357 -0.060 20 30 CBEDRP OC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](CO)C2)C1 ZINC000342144856 353219236 /nfs/dbraw/zinc/21/92/36/353219236.db2.gz WJWUUODSHZULFN-OKILXGFUSA-N 2 0 252.358 -0.382 20 30 CBEDRP C=CCNC(=O)CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000362830453 353668570 /nfs/dbraw/zinc/66/85/70/353668570.db2.gz KRWPWOJHVZOBSR-LBPRGKRZSA-N 2 0 280.372 -0.815 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+](C)CC(C)(C)O)CC1 ZINC000490780699 354446969 /nfs/dbraw/zinc/44/69/69/354446969.db2.gz PJGSATHHISOONX-UHFFFAOYSA-N 2 0 267.373 -0.534 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000491620994 354459738 /nfs/dbraw/zinc/45/97/38/354459738.db2.gz GLJFAOAOQIDQTL-UHFFFAOYSA-N 2 0 280.416 -0.259 20 30 CBEDRP C=CC[C@H](CO)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000569927937 354849368 /nfs/dbraw/zinc/84/93/68/354849368.db2.gz RDCRKSYYWMAXPJ-XJFOESAGSA-N 2 0 272.389 -0.017 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000595968950 355331480 /nfs/dbraw/zinc/33/14/80/355331480.db2.gz AHEVIOGHJLPNHT-YWPYICTPSA-N 2 0 292.383 -0.545 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2OCC[C@H]2[NH3+])CC1 ZINC000638102314 357417733 /nfs/dbraw/zinc/41/77/33/357417733.db2.gz SRXOQUARJZUPHP-NEPJUHHUSA-N 2 0 253.346 -0.131 20 30 CBEDRP C=CC[C@@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638613549 357505078 /nfs/dbraw/zinc/50/50/78/357505078.db2.gz YKRAGHMUJURIDY-AAEUAGOBSA-N 2 0 253.346 -0.211 20 30 CBEDRP C=CC[C@@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638613552 357506237 /nfs/dbraw/zinc/50/62/37/357506237.db2.gz YKRAGHMUJURIDY-YPMHNXCESA-N 2 0 253.346 -0.211 20 30 CBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261747739 220243596 /nfs/dbraw/zinc/24/35/96/220243596.db2.gz LLYBAWSWIMPBEW-ZDUSSCGKSA-N 2 0 294.403 -0.072 20 30 CBEDRP C[NH+]=C(NCCn1cccc1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000261769813 220243865 /nfs/dbraw/zinc/24/38/65/220243865.db2.gz NVYDJCXIQBDPBP-CQSZACIVSA-N 2 0 292.431 -0.101 20 30 CBEDRP CNC(=O)CNC(N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)=[NH+]C ZINC000261674895 220243963 /nfs/dbraw/zinc/24/39/63/220243963.db2.gz CLJVGLIMAHBAMX-GXSJLCMTSA-N 2 0 267.377 -0.620 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnnn1C ZINC000262256560 220247881 /nfs/dbraw/zinc/24/78/81/220247881.db2.gz FHHHWDCNRGXZSR-JTQLQIEISA-N 2 0 265.365 -0.296 20 30 CBEDRP C[NH+]=C(NCc1nncn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262014480 220248378 /nfs/dbraw/zinc/24/83/78/220248378.db2.gz XKYNXKUAUAFUQR-ZYHUDNBSSA-N 2 0 291.403 -0.037 20 30 CBEDRP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000262316916 220250324 /nfs/dbraw/zinc/25/03/24/220250324.db2.gz QVPDJYZVFPZJLX-GHMZBOCLSA-N 2 0 281.404 -0.135 20 30 CBEDRP C[C@@H]1CN(C(=[NH2+])NC[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC000262469270 220251224 /nfs/dbraw/zinc/25/12/24/220251224.db2.gz OKXBTKXYCZLVEW-PWSUYJOCSA-N 2 0 256.350 -0.912 20 30 CBEDRP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1CC[N@H+](C)C1 ZINC000262452064 220251384 /nfs/dbraw/zinc/25/13/84/220251384.db2.gz UVBAZCGKELVDFL-AAEUAGOBSA-N 2 0 294.403 -0.430 20 30 CBEDRP C[C@H]1CN(C(=[NH2+])NC[C@@]2(O)CC[N@H+](C)C2)CCO1 ZINC000262469269 220251795 /nfs/dbraw/zinc/25/17/95/220251795.db2.gz OKXBTKXYCZLVEW-JQWIXIFHSA-N 2 0 256.350 -0.912 20 30 CBEDRP [NH2+]=C(NCC1CCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262755828 220254651 /nfs/dbraw/zinc/25/46/51/220254651.db2.gz DJQZAOWBFNSYFV-GFCCVEGCSA-N 2 0 251.378 -0.309 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncn(C)n1 ZINC000262688587 220255756 /nfs/dbraw/zinc/25/57/56/220255756.db2.gz ZKFAHRSUWMYEEA-JTQLQIEISA-N 2 0 265.365 -0.296 20 30 CBEDRP CC(C)CCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000305199492 220325399 /nfs/dbraw/zinc/32/53/99/220325399.db2.gz MIRUNHYDWHOQFL-LBPRGKRZSA-N 2 0 253.394 -0.063 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236659734 419573723 /nfs/dbraw/zinc/57/37/23/419573723.db2.gz QYTDAAUUAMXRHB-LBPRGKRZSA-N 2 0 253.346 -0.259 20 30 CBEDRP C[C@@H]1[C@H](O)CC[NH+]1CC#CC[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650191058 419947885 /nfs/dbraw/zinc/94/78/85/419947885.db2.gz XUELFRMUNARIDM-AAVRWANBSA-N 2 0 252.358 -0.100 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000262005526 276377939 /nfs/dbraw/zinc/37/79/39/276377939.db2.gz RJHCNFHDAYLNHV-LBPRGKRZSA-N 2 0 284.404 -0.084 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CC[NH+](C)C1 ZINC000262275205 279303397 /nfs/dbraw/zinc/30/33/97/279303397.db2.gz HVFUBDHXEHDDEU-OCCSQVGLSA-N 3 0 283.420 -0.558 20 30 CBEDRP C=CCC[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000583203742 329363224 /nfs/dbraw/zinc/36/32/24/329363224.db2.gz JGLISVANIPAOOF-ZIAGYGMSSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000491768668 332336101 /nfs/dbraw/zinc/33/61/01/332336101.db2.gz ITQZKWOQPSWYGR-AWEZNQCLSA-N 2 0 296.415 -0.351 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN(CCO)C[C@H]1C ZINC000491768669 332336114 /nfs/dbraw/zinc/33/61/14/332336114.db2.gz ITQZKWOQPSWYGR-CQSZACIVSA-N 2 0 296.415 -0.351 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491806252 332359555 /nfs/dbraw/zinc/35/95/55/332359555.db2.gz QUXKJHIIKNAIJG-GFCCVEGCSA-N 2 0 252.362 -0.007 20 30 CBEDRP C=C(C)COCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000577484947 335357198 /nfs/dbraw/zinc/35/71/98/335357198.db2.gz NZDBORSHDIQQHH-AWEZNQCLSA-N 2 0 271.405 -0.223 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000834484791 583124608 /nfs/dbraw/zinc/12/46/08/583124608.db2.gz MZABBKDHXUUFTR-KXUCPTDWSA-N 2 0 254.359 -0.691 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000834485057 583124942 /nfs/dbraw/zinc/12/49/42/583124942.db2.gz RDUDMBIDOZMQRC-WUHRBBMRSA-N 2 0 262.357 -0.150 20 30 CBEDRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1(C)C ZINC000834484981 583125046 /nfs/dbraw/zinc/12/50/46/583125046.db2.gz QMRBMFBRZOVRQQ-DYNIEEOBSA-N 2 0 280.372 -0.253 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH2+]C1CC1 ZINC000841907711 583176639 /nfs/dbraw/zinc/17/66/39/583176639.db2.gz RZACBSZSKQJUAL-UHFFFAOYSA-N 2 0 252.362 -0.007 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458852 583221147 /nfs/dbraw/zinc/22/11/47/583221147.db2.gz AKEHLSFQFRZMAQ-OLZOCXBDSA-N 2 0 270.336 -0.290 20 30 CBEDRP CC[NH+]1CCN(CCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000844195536 583260443 /nfs/dbraw/zinc/26/04/43/583260443.db2.gz WVIVHDCEEYBKCT-OLZOCXBDSA-N 2 0 279.388 -0.758 20 30 CBEDRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)C#CC1CC[NH2+]CC1 ZINC000852880265 583566810 /nfs/dbraw/zinc/56/68/10/583566810.db2.gz LLPLSEUNYDJAGM-ZDUSSCGKSA-N 2 0 293.367 -0.647 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000852881881 583567098 /nfs/dbraw/zinc/56/70/98/583567098.db2.gz RQMHJSHZNXGDDC-RYUDHWBXSA-N 2 0 253.321 -0.194 20 30 CBEDRP CN(CCC[NH+](C)C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852902903 583572668 /nfs/dbraw/zinc/57/26/68/583572668.db2.gz PXEKOJXXEZNYAI-UHFFFAOYSA-N 2 0 294.443 -0.011 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NOCC[NH+](C)C)CC1 ZINC000854947146 583629469 /nfs/dbraw/zinc/62/94/69/583629469.db2.gz IBCDSQRYZDXHOC-UHFFFAOYSA-N 2 0 253.346 -0.059 20 30 CBEDRP C#CC[C@H](CCOC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000863589809 583848176 /nfs/dbraw/zinc/84/81/76/583848176.db2.gz XXDLWYXHOYYQFY-CABCVRRESA-N 2 0 283.416 -0.387 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000876511183 584130285 /nfs/dbraw/zinc/13/02/85/584130285.db2.gz YZJBYKGUQCXNSM-JTQLQIEISA-N 2 0 260.769 -0.522 20 30 CBEDRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCCC[NH2+]1 ZINC000876802508 584146632 /nfs/dbraw/zinc/14/66/32/584146632.db2.gz PTNVXQVWPSHPDS-LOWVWBTDSA-N 2 0 266.345 -0.627 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869031 584151277 /nfs/dbraw/zinc/15/12/77/584151277.db2.gz BCUJCORVVPKJIS-VHSXEESVSA-N 2 0 261.753 -0.049 20 30 CBEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]1 ZINC000884032408 584356641 /nfs/dbraw/zinc/35/66/41/584356641.db2.gz QJYQJJTVBWYDLV-KTEZZQQRSA-N 2 0 262.357 -0.054 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900812330 584828797 /nfs/dbraw/zinc/82/87/97/584828797.db2.gz VDZWFWZQSHIHSP-CHWSQXEVSA-N 2 0 268.405 -0.145 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000970727254 612961898 /nfs/dbraw/zinc/96/18/98/612961898.db2.gz DYUNJEJFHPAUOX-UONOGXRCSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373549 613033457 /nfs/dbraw/zinc/03/34/57/613033457.db2.gz HFZFIPZGKXXOKX-LSDHHAIUSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214402 613294218 /nfs/dbraw/zinc/29/42/18/613294218.db2.gz HDGYHOWCRNOKIJ-KBPBESRZSA-N 2 0 291.395 -0.343 20 30 CBEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374925 613625143 /nfs/dbraw/zinc/62/51/43/613625143.db2.gz PRSXHFAYYOJTGF-CABCVRRESA-N 2 0 293.411 -0.240 20 30 CBEDRP C=CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591439 613816430 /nfs/dbraw/zinc/81/64/30/613816430.db2.gz GZDBTLHTOQXGPD-CHWSQXEVSA-N 2 0 279.384 -0.323 20 30 CBEDRP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591451 613823938 /nfs/dbraw/zinc/82/39/38/613823938.db2.gz GZDBTLHTOQXGPD-STQMWFEESA-N 2 0 279.384 -0.323 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC[C@@]1(C)CCCO1 ZINC000261772365 656126684 /nfs/dbraw/zinc/12/66/84/656126684.db2.gz OGCFJZYUHKXNCB-UKRRQHHQSA-N 2 0 295.431 -0.280 20 30 CBEDRP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000303389739 656138995 /nfs/dbraw/zinc/13/89/95/656138995.db2.gz CSKSBEPPDYXVIR-OLZOCXBDSA-N 2 0 283.420 -0.294 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863635 656139416 /nfs/dbraw/zinc/13/94/16/656139416.db2.gz AKCQNIGUQDWYOB-LLVKDONJSA-N 2 0 269.393 -0.147 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C1CC1)[NH+](C)C ZINC000303876286 656139492 /nfs/dbraw/zinc/13/94/92/656139492.db2.gz IBPQYIHDUIHKCE-CQSZACIVSA-N 2 0 297.447 -0.176 20 30 CBEDRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303877618 656139555 /nfs/dbraw/zinc/13/95/55/656139555.db2.gz FLQZDHVSZLBCFL-ZDUSSCGKSA-N 2 0 283.420 -0.435 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)[N@H+](C)C1CC1 ZINC000303982039 656140242 /nfs/dbraw/zinc/14/02/42/656140242.db2.gz PUQGDWNYYCSEME-ZDUSSCGKSA-N 2 0 297.447 -0.034 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305797473 656141634 /nfs/dbraw/zinc/14/16/34/656141634.db2.gz GEBMOGZAOPURHO-LBPRGKRZSA-N 2 0 281.404 -0.099 20 30 CBEDRP C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905448968 656357799 /nfs/dbraw/zinc/35/77/99/656357799.db2.gz CCOSBPPHYLUCRW-KBPBESRZSA-N 2 0 271.405 -0.489 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](CC)CCO ZINC000907440939 656505824 /nfs/dbraw/zinc/50/58/24/656505824.db2.gz UGYXPRJPLADUNV-UHFFFAOYSA-N 2 0 257.378 -0.075 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000908436318 656727514 /nfs/dbraw/zinc/72/75/14/656727514.db2.gz PCZOWFCQPLWJNX-GXTWGEPZSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000912461146 657268487 /nfs/dbraw/zinc/26/84/87/657268487.db2.gz INBJURBWLUDYFI-UHFFFAOYSA-N 2 0 298.431 -0.027 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913524574 657493794 /nfs/dbraw/zinc/49/37/94/657493794.db2.gz SDYHSTHUOBWIDA-WCQYABFASA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001019815453 657946299 /nfs/dbraw/zinc/94/62/99/657946299.db2.gz GBTJLPXWYSJNOH-HIFRSBDPSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178855 658022972 /nfs/dbraw/zinc/02/29/72/658022972.db2.gz GTZASFHZCATQBJ-XUXIUFHCSA-N 2 0 277.368 -0.280 20 30 CBEDRP C#CC[N@@H+](C)CCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000925314172 658822278 /nfs/dbraw/zinc/82/22/78/658822278.db2.gz RQQXPXLARREVBZ-LLVKDONJSA-N 2 0 266.345 -0.577 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCO)C[C@H]2C)CC1 ZINC000989829349 659617056 /nfs/dbraw/zinc/61/70/56/659617056.db2.gz RTSVPQJPOHDFIC-UKRRQHHQSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011047 805823064 /nfs/dbraw/zinc/82/30/64/805823064.db2.gz ZBZDYYHEHKEGJW-CHWSQXEVSA-N 2 0 277.368 -0.733 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@H]2C)CC1 ZINC001080997609 806023508 /nfs/dbraw/zinc/02/35/08/806023508.db2.gz GRWCTTWWLYXGRY-UKRRQHHQSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCC)C[C@@H]2O)CC1 ZINC001084088215 806485886 /nfs/dbraw/zinc/48/58/86/806485886.db2.gz WJHHHSBPIVMLKU-CABCVRRESA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC001023128907 798885217 /nfs/dbraw/zinc/88/52/17/798885217.db2.gz XZSCDFJGAHTGSF-BETUJISGSA-N 2 0 292.383 -0.946 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001023128137 798885280 /nfs/dbraw/zinc/88/52/80/798885280.db2.gz QYMGFCGSLAZRBB-OKILXGFUSA-N 2 0 279.384 -0.439 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C[C@H](C)O)CC1 ZINC001039041890 801283257 /nfs/dbraw/zinc/28/32/57/801283257.db2.gz ILMBMFKRRLAETJ-ZFWWWQNUSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2CCCO)CC1 ZINC001039042609 801284411 /nfs/dbraw/zinc/28/44/11/801284411.db2.gz UTCGLAZDRBBXLB-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001047529065 801895820 /nfs/dbraw/zinc/89/58/20/801895820.db2.gz OYSYKLPTTCCBSG-ILXRZTDVSA-N 2 0 293.411 -0.003 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834110 814304978 /nfs/dbraw/zinc/30/49/78/814304978.db2.gz OFJKCFXRCPFGTF-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148352390 814939738 /nfs/dbraw/zinc/93/97/38/814939738.db2.gz IGKPVKSSGYFPKL-UHFFFAOYSA-N 2 0 284.404 -0.274 20 30 CBEDRP C#CC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605956 814953065 /nfs/dbraw/zinc/95/30/65/814953065.db2.gz ZCYDUKQLFOCFAQ-UHFFFAOYSA-N 2 0 279.384 -0.268 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001325109632 804241282 /nfs/dbraw/zinc/24/12/82/804241282.db2.gz FQLPUDKFRDHPRV-UKRRQHHQSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325126823 804244736 /nfs/dbraw/zinc/24/47/36/804244736.db2.gz RKZAHNQLVFIRGI-AWEZNQCLSA-N 2 0 267.373 -0.486 20 30 CBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001325880096 804330236 /nfs/dbraw/zinc/33/02/36/804330236.db2.gz RCWOZRVFNLTCPQ-BFHYXJOUSA-N 2 0 266.389 -0.123 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151058180 815054653 /nfs/dbraw/zinc/05/46/53/815054653.db2.gz XCWGPOYEFPYOCV-QWHCGFSZSA-N 2 0 294.399 -0.569 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151098073 815059959 /nfs/dbraw/zinc/05/99/59/815059959.db2.gz UCXFVRNFBNHKJQ-UHFFFAOYSA-N 2 0 253.346 -0.562 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107322 815062857 /nfs/dbraw/zinc/06/28/57/815062857.db2.gz STCRNBADYLSNPT-GFCCVEGCSA-N 2 0 282.388 -0.521 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)C(=O)NC)CC1 ZINC001152330567 815115382 /nfs/dbraw/zinc/11/53/82/815115382.db2.gz RKOGDGQWNWLPDI-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445825 815123352 /nfs/dbraw/zinc/12/33/52/815123352.db2.gz OMWRHPBDAUTTDZ-LBPRGKRZSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086332137 810260787 /nfs/dbraw/zinc/26/07/87/810260787.db2.gz UKUKMBCKGNGJQQ-AVGNSLFASA-N 2 0 267.373 -0.013 20 30 CBEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731623 810560409 /nfs/dbraw/zinc/56/04/09/810560409.db2.gz UBPCEWANPHWWIP-KBPBESRZSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090731624 810560545 /nfs/dbraw/zinc/56/05/45/810560545.db2.gz UBPCEWANPHWWIP-KGLIPLIRSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971300 810979703 /nfs/dbraw/zinc/97/97/03/810979703.db2.gz FIBWXJIPUZNQAW-KGLIPLIRSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971299 810980379 /nfs/dbraw/zinc/98/03/79/810980379.db2.gz FIBWXJIPUZNQAW-KBPBESRZSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972546 810982349 /nfs/dbraw/zinc/98/23/49/810982349.db2.gz YKEYADAHEZLZNT-ZIAGYGMSSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985918 810984913 /nfs/dbraw/zinc/98/49/13/810984913.db2.gz GYHFPFBZPUSCQY-STQMWFEESA-N 2 0 267.373 -0.487 20 30 CBEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100067791 811011669 /nfs/dbraw/zinc/01/16/69/811011669.db2.gz XWGMRDZJVUBJEU-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073759 811014450 /nfs/dbraw/zinc/01/44/50/811014450.db2.gz GQMUDJSQADQOHW-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131406 811024816 /nfs/dbraw/zinc/02/48/16/811024816.db2.gz CMTXWSQJGROTHK-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131858 811026123 /nfs/dbraw/zinc/02/61/23/811026123.db2.gz JUFRPNACFMBMGP-ZIAGYGMSSA-N 2 0 281.400 -0.099 20 30 CBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114041748 811710834 /nfs/dbraw/zinc/71/08/34/811710834.db2.gz PUEUFIRWCDVITM-LJISPDSOSA-N 2 0 291.395 -0.223 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486180 815535512 /nfs/dbraw/zinc/53/55/12/815535512.db2.gz HJNULJBPAOCRRB-CHWSQXEVSA-N 2 0 265.357 -0.421 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]([NH3+])C1CC1)C2 ZINC001119297020 812745304 /nfs/dbraw/zinc/74/53/04/812745304.db2.gz IEVKSCKVDVAPND-CBKZZEEASA-N 2 0 262.357 -0.021 20 30 CBEDRP C[NH2+]C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001119298654 812747178 /nfs/dbraw/zinc/74/71/78/812747178.db2.gz FJSCJYAEZQLZDZ-MSLYCWSTSA-N 2 0 250.346 -0.150 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001122064398 813111998 /nfs/dbraw/zinc/11/19/98/813111998.db2.gz XKYAUODDCADWFM-GFCCVEGCSA-N 2 0 263.341 -0.764 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001122288381 813140496 /nfs/dbraw/zinc/14/04/96/813140496.db2.gz JFGLMJAPPUFSAX-LBPRGKRZSA-N 2 0 254.378 -0.309 20 30 CBEDRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001122311471 813143997 /nfs/dbraw/zinc/14/39/97/813143997.db2.gz BDBMQZCCVRSUIR-NEPJUHHUSA-N 2 0 268.361 -0.156 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866334 813490016 /nfs/dbraw/zinc/49/00/16/813490016.db2.gz AFXQLGLKCXUEOM-NWDGAFQWSA-N 2 0 282.388 -0.523 20 30 CBEDRP CC[C@@H]1[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001127689913 813741121 /nfs/dbraw/zinc/74/11/21/813741121.db2.gz BKORETHPAFSFEH-NWDGAFQWSA-N 2 0 295.387 -0.938 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778464 813746892 /nfs/dbraw/zinc/74/68/92/813746892.db2.gz FQPBYENWZLARBF-NEPJUHHUSA-N 2 0 253.346 -0.259 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780532 813748271 /nfs/dbraw/zinc/74/82/71/813748271.db2.gz ZQAHHKLUYRJMCV-KBPBESRZSA-N 2 0 295.383 -0.795 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785964 813749056 /nfs/dbraw/zinc/74/90/56/813749056.db2.gz SACAQAOXOHERHK-KBPBESRZSA-N 2 0 297.399 -0.242 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128774232 813796475 /nfs/dbraw/zinc/79/64/75/813796475.db2.gz PPRSWJASKZDWCA-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449500 813845244 /nfs/dbraw/zinc/84/52/44/813845244.db2.gz NOXAWMOMPMZVKT-WCQYABFASA-N 2 0 294.399 -0.830 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129437392 813845323 /nfs/dbraw/zinc/84/53/23/813845323.db2.gz ZVEKZDRISOANTO-ZDUSSCGKSA-N 2 0 267.373 -0.318 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129532278 813850051 /nfs/dbraw/zinc/85/00/51/813850051.db2.gz XXTKCXYLGQRFPA-UHFFFAOYSA-N 2 0 267.373 -0.174 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130306273 813927573 /nfs/dbraw/zinc/92/75/73/813927573.db2.gz UOKZGFZSTDIDOE-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133845542 814307747 /nfs/dbraw/zinc/30/77/47/814307747.db2.gz IFYLLRHEIMYICZ-CYBMUJFWSA-N 2 0 267.373 -0.316 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133868108 814313544 /nfs/dbraw/zinc/31/35/44/814313544.db2.gz ZEZQXTRTOIUXNU-NWDGAFQWSA-N 2 0 282.388 -0.808 20 30 CBEDRP CC(C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001160421374 815619327 /nfs/dbraw/zinc/61/93/27/815619327.db2.gz PNHYFSIGHCOXSI-ZDUSSCGKSA-N 2 0 297.403 -0.692 20 30 CBEDRP C=CC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959592 814541261 /nfs/dbraw/zinc/54/12/61/814541261.db2.gz QDBBORQEDXSXFQ-UHFFFAOYSA-N 2 0 255.362 -0.011 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915676 815603965 /nfs/dbraw/zinc/60/39/65/815603965.db2.gz LUHWFMKAVAVEDJ-CQSZACIVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@H](C1)O2 ZINC001160155006 815610016 /nfs/dbraw/zinc/61/00/16/815610016.db2.gz CKUAUMDYTQRNFG-GUTXKFCHSA-N 2 0 277.368 -0.341 20 30 CBEDRP C=CCN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160432447 815620908 /nfs/dbraw/zinc/62/09/08/815620908.db2.gz WHUAXHARIXTVHA-ZDUSSCGKSA-N 2 0 266.389 -0.357 20 30 CBEDRP N#C[C@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160643089 815650932 /nfs/dbraw/zinc/65/09/32/815650932.db2.gz XOURFBWJMAQQLU-YPMHNXCESA-N 2 0 279.388 -0.501 20 30 CBEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160653109 815653124 /nfs/dbraw/zinc/65/31/24/815653124.db2.gz UOTNOWSSCXEASZ-OLZOCXBDSA-N 2 0 281.404 -0.194 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160751539 815667430 /nfs/dbraw/zinc/66/74/30/815667430.db2.gz WBHOPCLDXQKUER-LLVKDONJSA-N 2 0 261.329 -0.549 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160749910 815667502 /nfs/dbraw/zinc/66/75/02/815667502.db2.gz ALKFGUXVRGNLDJ-LBPRGKRZSA-N 2 0 263.345 -0.031 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C#N)C1 ZINC001160878040 815683634 /nfs/dbraw/zinc/68/36/34/815683634.db2.gz GMNYILUKRVXCIH-RYUDHWBXSA-N 2 0 268.361 -0.203 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@H](C#N)C1 ZINC001160878874 815684353 /nfs/dbraw/zinc/68/43/53/815684353.db2.gz MIQTWWXPXWLUNO-MNOVXSKESA-N 2 0 254.334 -0.546 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC(O)([C@@H]2CCCC[NH2+]2)C1 ZINC001161007963 815694421 /nfs/dbraw/zinc/69/44/21/815694421.db2.gz MCAYTPLGCGDPMG-JQWIXIFHSA-N 2 0 251.330 -0.948 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@@]2(C(=O)OC)CC[NH2+][C@H]2C1 ZINC001161479806 815758244 /nfs/dbraw/zinc/75/82/44/815758244.db2.gz MCXMUWXKRQHXER-BPNCWPANSA-N 2 0 279.340 -0.909 20 30 CBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001161487205 815759681 /nfs/dbraw/zinc/75/96/81/815759681.db2.gz DYFDBMXFAGXQSP-NSHDSACASA-N 2 0 296.371 -0.252 20 30 CBEDRP N#CCc1cc(N[C@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163252170 815874162 /nfs/dbraw/zinc/87/41/62/815874162.db2.gz FWGPHPYSJYCFNZ-YPMHNXCESA-N 2 0 257.297 -0.440 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317263283 816953909 /nfs/dbraw/zinc/95/39/09/816953909.db2.gz FMKBMZMSLYOKOB-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317281596 816958172 /nfs/dbraw/zinc/95/81/72/816958172.db2.gz DSDJVSSYYDDUJZ-STQMWFEESA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001319281980 817184766 /nfs/dbraw/zinc/18/47/66/817184766.db2.gz MMIPAHMPLDYXAN-CYBMUJFWSA-N 2 0 294.399 -0.827 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001320264049 817308772 /nfs/dbraw/zinc/30/87/72/817308772.db2.gz QCUGCOLNDRWGDC-KBPBESRZSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320295416 817317044 /nfs/dbraw/zinc/31/70/44/817317044.db2.gz JBIBCCXHHZDQMK-RYUDHWBXSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CC(N)=O)CC1 ZINC001320928114 817412535 /nfs/dbraw/zinc/41/25/35/817412535.db2.gz GHAHEUWGIRKTKW-UHFFFAOYSA-N 2 0 294.399 -0.745 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165360061 819957667 /nfs/dbraw/zinc/95/76/67/819957667.db2.gz LOHUOYYVHYIZEF-UHFFFAOYSA-N 2 0 282.388 -0.827 20 30 CBEDRP C[C@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166634226 820010937 /nfs/dbraw/zinc/01/09/37/820010937.db2.gz RHBIAANHWYDHGU-LBPRGKRZSA-N 2 0 295.387 -0.794 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668359 820014943 /nfs/dbraw/zinc/01/49/43/820014943.db2.gz ZSYJUTWNOXDBHZ-ZDUSSCGKSA-N 2 0 294.399 -0.827 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166695020 820016041 /nfs/dbraw/zinc/01/60/41/820016041.db2.gz ZMDRIGRNBLRMBM-CHWSQXEVSA-N 2 0 294.399 -0.971 20 30 CBEDRP C[NH+](C)CCCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171575745 820362112 /nfs/dbraw/zinc/36/21/12/820362112.db2.gz JBFMKNIQFXZBNA-UHFFFAOYSA-N 2 0 297.403 -0.546 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CCCC[NH+](C)C ZINC001171579445 820363162 /nfs/dbraw/zinc/36/31/62/820363162.db2.gz XECAHYFAHJRPEI-UHFFFAOYSA-N 2 0 296.415 -0.436 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176117998 820441929 /nfs/dbraw/zinc/44/19/29/820441929.db2.gz GZPUBDDBVSMPAP-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001176168379 820442448 /nfs/dbraw/zinc/44/24/48/820442448.db2.gz CTDQUCBTNMTAOO-CYBMUJFWSA-N 2 0 267.373 -0.316 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986011 820483882 /nfs/dbraw/zinc/48/38/82/820483882.db2.gz AZMXBNMMQHDMSW-CYBMUJFWSA-N 2 0 296.415 -0.440 20 30 CBEDRP CC[C@@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001185705370 821139553 /nfs/dbraw/zinc/13/95/53/821139553.db2.gz ADRZESKUNHAMDQ-NEPJUHHUSA-N 2 0 295.387 -0.843 20 30 CBEDRP C=CCOCC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187121259 821212255 /nfs/dbraw/zinc/21/22/55/821212255.db2.gz GAJUYZDUSKEWHY-CQSZACIVSA-N 2 0 299.415 -0.042 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001279731259 828336971 /nfs/dbraw/zinc/33/69/71/828336971.db2.gz NYVKRBRGBPBZJC-AWEZNQCLSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001281161927 828405914 /nfs/dbraw/zinc/40/59/14/828405914.db2.gz AXZFCFXDFJJIBT-ZBFHGGJFSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001187817871 822297810 /nfs/dbraw/zinc/29/78/10/822297810.db2.gz KRORVEZSPNVMHX-QWHCGFSZSA-N 2 0 294.399 -0.569 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001187825330 822298712 /nfs/dbraw/zinc/29/87/12/822298712.db2.gz KRZSEDJUCDPLFM-UONOGXRCSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCO)CC1 ZINC001282241381 828439623 /nfs/dbraw/zinc/43/96/23/828439623.db2.gz KNXKDSOBLWILTD-CHWSQXEVSA-N 2 0 281.400 -0.193 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001283762195 828544798 /nfs/dbraw/zinc/54/47/98/828544798.db2.gz AXWJOUJNHBNQBJ-GFCCVEGCSA-N 2 0 267.373 -0.439 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001283816353 828552205 /nfs/dbraw/zinc/55/22/05/828552205.db2.gz PDGVJEHIZNGJGR-ZDUSSCGKSA-N 2 0 299.415 -0.260 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283826558 828554685 /nfs/dbraw/zinc/55/46/85/828554685.db2.gz XLTUFWRXZOUREP-QWHCGFSZSA-N 2 0 269.389 -0.337 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)CCC[NH+]1CCCC1 ZINC001283832566 828555386 /nfs/dbraw/zinc/55/53/86/828555386.db2.gz UVDJPUZIYZPFCJ-ZDUSSCGKSA-N 2 0 267.373 -0.438 20 30 CBEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cncc1C ZINC001284505851 828605097 /nfs/dbraw/zinc/60/50/97/828605097.db2.gz OYPXKWVCLNFMFG-CQSZACIVSA-N 2 0 292.383 -0.034 20 30 CBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701920 824127871 /nfs/dbraw/zinc/12/78/71/824127871.db2.gz UAJVIMOQYXVOAC-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825962 824203431 /nfs/dbraw/zinc/20/34/31/824203431.db2.gz JFPRDRDJXPFXNO-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200114347 824306253 /nfs/dbraw/zinc/30/62/53/824306253.db2.gz CPTIOULLDQLWKJ-ZIAGYGMSSA-N 2 0 279.384 -0.079 20 30 CBEDRP C=CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201864075 824337640 /nfs/dbraw/zinc/33/76/40/824337640.db2.gz SURKTHFUCYTMAK-AWEZNQCLSA-N 2 0 299.415 -0.042 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCCO1 ZINC001202050167 824340829 /nfs/dbraw/zinc/34/08/29/824340829.db2.gz SOOMPEXEBHVWQB-CQSZACIVSA-N 2 0 279.384 -0.078 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057240 824341145 /nfs/dbraw/zinc/34/11/45/824341145.db2.gz FUHCLOYZYYVFCX-ZIAGYGMSSA-N 2 0 279.384 -0.222 20 30 CBEDRP C[NH+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209420194 824470725 /nfs/dbraw/zinc/47/07/25/824470725.db2.gz SASJFLDPORNGHR-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445364 824472370 /nfs/dbraw/zinc/47/23/70/824472370.db2.gz MGAWBCZYTRYWCJ-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP Cc1noc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1C#N ZINC001218502432 824572030 /nfs/dbraw/zinc/57/20/30/824572030.db2.gz FDFPMZMTGUSTJP-QMMMGPOBSA-N 2 0 269.330 -0.188 20 30 CBEDRP N#Cc1cnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001218504808 824573277 /nfs/dbraw/zinc/57/32/77/824573277.db2.gz UFMBQZNCEJSIGX-LLVKDONJSA-N 2 0 260.301 -0.386 20 30 CBEDRP C#Cc1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)ccn1 ZINC001218521307 824581400 /nfs/dbraw/zinc/58/14/00/824581400.db2.gz URTOCSSZJVMAAA-GFCCVEGCSA-N 2 0 256.309 -0.768 20 30 CBEDRP C#Cc1cc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)ccn1 ZINC001218523170 824582805 /nfs/dbraw/zinc/58/28/05/824582805.db2.gz DAYXTKFPRLRWHF-ZDUSSCGKSA-N 2 0 258.325 -0.250 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]C[C@H]1O)C[NH2+]CC2 ZINC001218553083 824589453 /nfs/dbraw/zinc/58/94/53/824589453.db2.gz NBRYTQLSAUFXDC-NXEZZACHSA-N 2 0 292.364 -0.216 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]CCN1)C[NH2+]CC2 ZINC001218553843 824589613 /nfs/dbraw/zinc/58/96/13/824589613.db2.gz TXEBXJNBUKBRTF-JTQLQIEISA-N 2 0 291.380 -0.235 20 30 CBEDRP N#Cc1c(NC(=O)[C@@H](N)C[NH3+])sc2c1CC[NH2+]C2 ZINC001218555245 824589912 /nfs/dbraw/zinc/58/99/12/824589912.db2.gz YYCBLPFUMKAYMV-QMMMGPOBSA-N 2 0 265.342 -0.510 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1N)C[NH2+]CC2 ZINC001218551862 824589996 /nfs/dbraw/zinc/58/99/96/824589996.db2.gz BLDLANQFFQTJKG-UWVGGRQHSA-N 2 0 291.380 -0.249 20 30 CBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001218637866 824611157 /nfs/dbraw/zinc/61/11/57/824611157.db2.gz RBPBULYTXWGUGL-SNVBAGLBSA-N 2 0 298.310 -0.523 20 30 CBEDRP N#Cc1n[nH]cc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218654982 824616507 /nfs/dbraw/zinc/61/65/07/824616507.db2.gz HJSPOZUPFPDIKS-LURJTMIESA-N 2 0 254.319 -0.761 20 30 CBEDRP N#Cc1n[nH]cc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218654512 824616532 /nfs/dbraw/zinc/61/65/32/824616532.db2.gz AFRGHEJVOSEJSI-PRHODGIISA-N 2 0 260.301 -0.581 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218702630 824625378 /nfs/dbraw/zinc/62/53/78/824625378.db2.gz VDAOIMTUVOKXRA-VIFPVBQESA-N 2 0 258.285 -0.904 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732336 824885812 /nfs/dbraw/zinc/88/58/12/824885812.db2.gz SGDNDJHVJYEBFT-MCIONIFRSA-N 2 0 299.390 -0.149 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813785 824897197 /nfs/dbraw/zinc/89/71/97/824897197.db2.gz DYLGJJRELIWZAN-KGLIPLIRSA-N 2 0 279.384 -0.345 20 30 CBEDRP N#CN=C(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1ccncc1 ZINC001219972042 824925750 /nfs/dbraw/zinc/92/57/50/824925750.db2.gz HYLCQRQZELUMNW-JTQLQIEISA-N 2 0 292.368 -0.555 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220124578 824959861 /nfs/dbraw/zinc/95/98/61/824959861.db2.gz CYRGKBFQUQAFBV-NSHDSACASA-N 2 0 271.361 -0.061 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220124583 824960591 /nfs/dbraw/zinc/96/05/91/824960591.db2.gz DDXVUOBIUYSDPV-JTQLQIEISA-N 2 0 257.334 -0.322 20 30 CBEDRP N#CCCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220191426 824984721 /nfs/dbraw/zinc/98/47/21/824984721.db2.gz IHYFWLJVORBPGL-LBPRGKRZSA-N 2 0 267.377 -0.453 20 30 CBEDRP CCOC(=O)[C@H](C#N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220499356 825050065 /nfs/dbraw/zinc/05/00/65/825050065.db2.gz WVVDHVDNSIQOCL-UWVGGRQHSA-N 2 0 270.333 -0.596 20 30 CBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220571769 825065261 /nfs/dbraw/zinc/06/52/61/825065261.db2.gz ZHHPAFFYWVWNNH-TYNCELHUSA-N 2 0 295.383 -0.063 20 30 CBEDRP CC(C)C[C@@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220701294 825086458 /nfs/dbraw/zinc/08/64/58/825086458.db2.gz ZKRNYVGXNXMZBR-QWRGUYRKSA-N 2 0 250.346 -0.150 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220868453 825115693 /nfs/dbraw/zinc/11/56/93/825115693.db2.gz KITSCAVDJHJBPL-RYUDHWBXSA-N 3 0 286.445 -0.228 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]([NH3+])CCCNC(N)=O ZINC001220868257 825115941 /nfs/dbraw/zinc/11/59/41/825115941.db2.gz FRAXTNWVSYCSOI-NWDGAFQWSA-N 2 0 297.403 -0.471 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH3+])(CCOC)CC1 ZINC001221136050 825146851 /nfs/dbraw/zinc/14/68/51/825146851.db2.gz JGIFPEFZTBHWQA-LBPRGKRZSA-N 2 0 253.346 -0.307 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@H]1CCN2 ZINC001220868757 825117395 /nfs/dbraw/zinc/11/73/95/825117395.db2.gz RXCLEDMTXLZGDQ-VNHYZAJKSA-N 2 0 278.400 -0.296 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[NH2+]C[C@H]2N1 ZINC001220868818 825117588 /nfs/dbraw/zinc/11/75/88/825117588.db2.gz VNHDEIWAJFCQTE-XDQVBPFNSA-N 2 0 278.400 -0.297 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@]1(N)CCC[NH2+]C1 ZINC001220868634 825117726 /nfs/dbraw/zinc/11/77/26/825117726.db2.gz MYAYKPDJOQPVJX-GXTWGEPZSA-N 2 0 266.389 -0.166 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N(C1COC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001220929782 825124222 /nfs/dbraw/zinc/12/42/22/825124222.db2.gz FIAANJKZGJVXPI-MJVIPROJSA-N 2 0 265.357 -0.166 20 30 CBEDRP N#Cc1ccc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001221089014 825143073 /nfs/dbraw/zinc/14/30/73/825143073.db2.gz DMNJDHLCIFIDBS-GFCCVEGCSA-N 2 0 271.324 -0.622 20 30 CBEDRP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])CSCC[NH3+])C(=O)OC ZINC001221382797 825180192 /nfs/dbraw/zinc/18/01/92/825180192.db2.gz YLAZZKJAOLIDSQ-JOYOIKCWSA-N 2 0 289.401 -0.370 20 30 CBEDRP C=CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243947 825550686 /nfs/dbraw/zinc/55/06/86/825550686.db2.gz WVGKJQKFLGMEIR-LLVKDONJSA-N 2 0 273.402 -0.034 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245974828 825616442 /nfs/dbraw/zinc/61/64/42/825616442.db2.gz OBJDSLLBMQYRIF-SDDRHHMPSA-N 2 0 262.325 -0.798 20 30 CBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@@]1(O)CC[NH2+]C1 ZINC001246000775 825619745 /nfs/dbraw/zinc/61/97/45/825619745.db2.gz MDVCAGSYJMGKLF-JSGCOSHPSA-N 2 0 285.388 -0.473 20 30 CBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@]1(O)CCC[NH2+]C1 ZINC001246000092 825620000 /nfs/dbraw/zinc/62/00/00/825620000.db2.gz KQVYMTOBVQYTRW-DZGCQCFKSA-N 2 0 299.415 -0.083 20 30 CBEDRP N#C[C@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246820215 825716027 /nfs/dbraw/zinc/71/60/27/825716027.db2.gz JNNHIGRDXWVZJM-KBPBESRZSA-N 2 0 265.405 -0.237 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001251821589 825789835 /nfs/dbraw/zinc/78/98/35/825789835.db2.gz SGGGHOGTBNILTC-AWEZNQCLSA-N 2 0 269.389 -0.776 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001251861041 825798297 /nfs/dbraw/zinc/79/82/97/825798297.db2.gz ZEIKTMAWJYKNCX-HZSPNIEDSA-N 2 0 252.358 -0.119 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001251887905 825802672 /nfs/dbraw/zinc/80/26/72/825802672.db2.gz MBZYPQCKXXUIRY-AWEZNQCLSA-N 2 0 269.389 -0.776 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](C2COC2)CC1 ZINC001251903178 825804951 /nfs/dbraw/zinc/80/49/51/825804951.db2.gz GCTQLJBEGMFWGD-OAHLLOKOSA-N 2 0 282.384 -0.303 20 30 CBEDRP C=CCOC[C@@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001252454584 825867869 /nfs/dbraw/zinc/86/78/69/825867869.db2.gz RSXSKXWLHVJSHG-AWEZNQCLSA-N 2 0 271.405 -0.271 20 30 CBEDRP C=C[C@@H](O)C[N@H+]1CCC[C@@H](NC(=O)CN(C)C)C1 ZINC001253587265 825917192 /nfs/dbraw/zinc/91/71/92/825917192.db2.gz KCPASGZVUXKCGF-VXGBXAGGSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC001263102985 826738312 /nfs/dbraw/zinc/73/83/12/826738312.db2.gz KGHDSYXOUQVQPT-CYBMUJFWSA-N 2 0 266.389 -0.649 20 30 CBEDRP [NH3+]C1CCN(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001263192418 826752932 /nfs/dbraw/zinc/75/29/32/826752932.db2.gz YZDPKCOVMZZVJG-UHFFFAOYSA-N 2 0 278.400 -0.471 20 30 CBEDRP C#CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264079070 826797969 /nfs/dbraw/zinc/79/79/69/826797969.db2.gz WZMNACUFPJGDKC-LSDHHAIUSA-N 2 0 293.411 -0.001 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266928214 827088200 /nfs/dbraw/zinc/08/82/00/827088200.db2.gz QBJFDSZJCBCTPY-RYUDHWBXSA-N 2 0 282.388 -0.523 20 30 CBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001267025178 827108305 /nfs/dbraw/zinc/10/83/05/827108305.db2.gz LWTKGHBNMVFNCF-AWEZNQCLSA-N 2 0 279.384 -0.078 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268324591 827301678 /nfs/dbraw/zinc/30/16/78/827301678.db2.gz USHOBRRYRRJDFH-QWHCGFSZSA-N 2 0 269.389 -0.337 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]CCC)CC1 ZINC001268335465 827308612 /nfs/dbraw/zinc/30/86/12/827308612.db2.gz UQDZQOBPJBDZIG-AWEZNQCLSA-N 2 0 281.400 -0.192 20 30 CBEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001268626220 827383774 /nfs/dbraw/zinc/38/37/74/827383774.db2.gz ZJXXECOJDBVJCX-IHWYPQMZSA-N 2 0 279.384 -0.006 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001269540996 827517859 /nfs/dbraw/zinc/51/78/59/827517859.db2.gz UCHPSJYJKKLVDT-LBPRGKRZSA-N 2 0 265.357 -0.421 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001272443922 827798367 /nfs/dbraw/zinc/79/83/67/827798367.db2.gz QSXHZLTUFKVSME-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)CCC[NH+]1CCCC1 ZINC001272585717 827825837 /nfs/dbraw/zinc/82/58/37/827825837.db2.gz XFWWFENTABTTDY-AWEZNQCLSA-N 2 0 281.400 -0.048 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001272584261 827826289 /nfs/dbraw/zinc/82/62/89/827826289.db2.gz MUVQOMYRFGGRQM-CYBMUJFWSA-N 2 0 267.373 -0.438 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001273268929 827883025 /nfs/dbraw/zinc/88/30/25/827883025.db2.gz VKUBOWNGOYWTSY-AWEZNQCLSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273358768 827892592 /nfs/dbraw/zinc/89/25/92/827892592.db2.gz LBDOPRXVSJQNKT-CYBMUJFWSA-N 2 0 265.357 -0.468 20 30 CBEDRP C=C[C@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880315 827935652 /nfs/dbraw/zinc/93/56/52/827935652.db2.gz AHXWJBXNCIGPTF-DZGCQCFKSA-N 2 0 297.399 -0.602 20 30 CBEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001275098338 828055849 /nfs/dbraw/zinc/05/58/49/828055849.db2.gz CPYLLACIDYDJPR-QWHCGFSZSA-N 2 0 267.373 -0.175 20 30 CBEDRP COCC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001275800800 828116247 /nfs/dbraw/zinc/11/62/47/828116247.db2.gz LFSAETMGXWHXBF-KGLIPLIRSA-N 2 0 297.399 -0.597 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001278106109 828249534 /nfs/dbraw/zinc/24/95/34/828249534.db2.gz UKWKQYBANMELKL-CYBMUJFWSA-N 2 0 279.384 -0.295 20 30 CBEDRP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396658 828268030 /nfs/dbraw/zinc/26/80/30/828268030.db2.gz BPTGHEYDKUOADC-RYUDHWBXSA-N 2 0 295.387 -0.843 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278736940 828278417 /nfs/dbraw/zinc/27/84/17/828278417.db2.gz DQERIBIAUARWPT-NWDGAFQWSA-N 2 0 255.362 -0.325 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001278736941 828278618 /nfs/dbraw/zinc/27/86/18/828278618.db2.gz DQERIBIAUARWPT-RYUDHWBXSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278826228 828294010 /nfs/dbraw/zinc/29/40/10/828294010.db2.gz BAZCFUATIPIMPM-STQMWFEESA-N 2 0 267.373 -0.630 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331788583 886981233 /nfs/dbraw/zinc/98/12/33/886981233.db2.gz WOVXDAUWKRJGTP-UONOGXRCSA-N 2 0 297.399 -0.955 20 30 CBEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H]1CC[NH2+]C1 ZINC001333632260 887726149 /nfs/dbraw/zinc/72/61/49/887726149.db2.gz XDLHPBPNPYGHBC-BEVNXUHPSA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC001341098340 889541901 /nfs/dbraw/zinc/54/19/01/889541901.db2.gz RRGQOTFFMNKKAE-HIFRSBDPSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341665735 889646711 /nfs/dbraw/zinc/64/67/11/889646711.db2.gz OWMPUACBJBDRDB-JTQLQIEISA-N 2 0 292.305 -0.839 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001328220629 885606632 /nfs/dbraw/zinc/60/66/32/885606632.db2.gz NQJIRVHSUZBTCB-VIFPVBQESA-N 2 0 292.347 -0.826 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329202505 885964228 /nfs/dbraw/zinc/96/42/28/885964228.db2.gz KYRJKTFYPPETET-VXGBXAGGSA-N 2 0 297.403 -0.551 20 30 CBEDRP C[NH+](C)CCOCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001330879689 886614337 /nfs/dbraw/zinc/61/43/37/886614337.db2.gz KOYZVFDPUYNKEM-OWYJLGKBSA-N 2 0 294.399 -0.180 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001331630784 886873634 /nfs/dbraw/zinc/87/36/34/886873634.db2.gz JQFCRXRMFYVAES-STQMWFEESA-N 2 0 296.415 -0.323 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331788584 886981369 /nfs/dbraw/zinc/98/13/69/886981369.db2.gz WOVXDAUWKRJGTP-ZIAGYGMSSA-N 2 0 297.399 -0.955 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331787390 886982518 /nfs/dbraw/zinc/98/25/18/886982518.db2.gz IFKRLMYABBNHSE-STQMWFEESA-N 2 0 269.389 -0.029 20 30 CBEDRP C[C@H](C[NH3+])N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331957190 887061845 /nfs/dbraw/zinc/06/18/45/887061845.db2.gz IQSWAOLUPUYGQN-JJOYANBFSA-N 2 0 250.346 -0.069 20 30 CBEDRP C[C@H](C[NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331968420 887069301 /nfs/dbraw/zinc/06/93/01/887069301.db2.gz IIHHWAIPIOIKHK-YLXHPXFOSA-N 2 0 250.346 -0.163 20 30 CBEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CCC ZINC001332679134 887403587 /nfs/dbraw/zinc/40/35/87/887403587.db2.gz VHNSUJUZBMUNNO-CYBMUJFWSA-N 2 0 269.389 -0.288 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CC(=O)NCC[NH+]1CCCCC1 ZINC001336831448 888894406 /nfs/dbraw/zinc/89/44/06/888894406.db2.gz LXLJLOZSEBPIQS-UHFFFAOYSA-N 2 0 294.399 -0.682 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC001338487836 889164962 /nfs/dbraw/zinc/16/49/62/889164962.db2.gz GYXWYPOZXZYVGP-UHFFFAOYSA-N 2 0 274.386 -0.919 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341240622 889562865 /nfs/dbraw/zinc/56/28/65/889562865.db2.gz UNIYAUZWUGSEHG-ONGXEEELSA-N 2 0 261.753 -0.232 20 30 CBEDRP C#CC[NH2+]CC(=O)N(CCC[NH3+])CC(F)(F)F ZINC001341583111 889629742 /nfs/dbraw/zinc/62/97/42/889629742.db2.gz XIDIARZFXQNFGO-UHFFFAOYSA-N 2 0 251.252 -0.051 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC001346236505 890246540 /nfs/dbraw/zinc/24/65/40/890246540.db2.gz HIGYDRHKCOPAFY-CHWSQXEVSA-N 2 0 256.346 -0.957 20 30 CBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC#C[C@H]2CCCCO2)CC1 ZINC001346378655 890281803 /nfs/dbraw/zinc/28/18/03/890281803.db2.gz QXBRJRNLACKEDD-JKSUJKDBSA-N 2 0 295.427 -0.243 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001349370673 890802425 /nfs/dbraw/zinc/80/24/25/890802425.db2.gz FJRPKMWYVCJOJA-RYUDHWBXSA-N 2 0 295.387 -0.679 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC001354571143 891595650 /nfs/dbraw/zinc/59/56/50/891595650.db2.gz UOEMRZNDMZEOBI-GFCCVEGCSA-N 2 0 265.357 -0.516 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001357413385 891889564 /nfs/dbraw/zinc/88/95/64/891889564.db2.gz IHXLUYYJFDPJCG-ZDUSSCGKSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001357911221 891944240 /nfs/dbraw/zinc/94/42/40/891944240.db2.gz VHFYEEZNSXQKEE-LLVKDONJSA-N 2 0 253.346 -0.129 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001379294444 898541437 /nfs/dbraw/zinc/54/14/37/898541437.db2.gz XXZIIGCOTQZWRA-NSHDSACASA-N 2 0 275.780 -0.099 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001401565837 902169067 /nfs/dbraw/zinc/16/90/67/902169067.db2.gz VTGBYOGHRHCKFB-WDEREUQCSA-N 2 0 275.780 -0.100 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507499434 921855195 /nfs/dbraw/zinc/85/51/95/921855195.db2.gz JTFXUBMUNHOFJR-ZDUSSCGKSA-N 2 0 281.400 -0.240 20 30 CBEDRP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001506994159 921649970 /nfs/dbraw/zinc/64/99/70/921649970.db2.gz YMMDDVWRWCWXTI-CYBMUJFWSA-N 2 0 267.373 -0.174 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001507064444 921666740 /nfs/dbraw/zinc/66/67/40/921666740.db2.gz VNFCCVGPPQVKFA-OLZOCXBDSA-N 2 0 296.415 -0.181 20 30 CBEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001507182159 921718878 /nfs/dbraw/zinc/71/88/78/921718878.db2.gz HJBFXWKNHLLHET-NEPJUHHUSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507233721 921769145 /nfs/dbraw/zinc/76/91/45/921769145.db2.gz TYUFVYZXJOKLSU-VXGBXAGGSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482267129 917108456 /nfs/dbraw/zinc/10/84/56/917108456.db2.gz RFQAEANERNHNMA-OLZOCXBDSA-N 2 0 294.399 -0.734 20 30 CBEDRP COCC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001482650365 917195425 /nfs/dbraw/zinc/19/54/25/917195425.db2.gz VKNPDIQNAJSEPH-AWEZNQCLSA-N 2 0 281.400 -0.022 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001482736859 917243047 /nfs/dbraw/zinc/24/30/47/917243047.db2.gz AMZAWKAWTGJSII-LBPRGKRZSA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001482736858 917243818 /nfs/dbraw/zinc/24/38/18/917243818.db2.gz AMZAWKAWTGJSII-GFCCVEGCSA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482773829 917270518 /nfs/dbraw/zinc/27/05/18/917270518.db2.gz FWATZCRQTRSMCI-AWEZNQCLSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001482773831 917272086 /nfs/dbraw/zinc/27/20/86/917272086.db2.gz FWATZCRQTRSMCI-CQSZACIVSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001483263023 917499690 /nfs/dbraw/zinc/49/96/90/917499690.db2.gz BPPONIVZCSAAKE-NWDGAFQWSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001483456197 917567491 /nfs/dbraw/zinc/56/74/91/917567491.db2.gz PIVPMFHNAGHRLN-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001484191301 917748541 /nfs/dbraw/zinc/74/85/41/917748541.db2.gz OXZMQBULGQBVDB-CYBMUJFWSA-N 2 0 279.384 -0.174 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484239089 917784523 /nfs/dbraw/zinc/78/45/23/917784523.db2.gz QZYTWVCZEVOOSI-CYBMUJFWSA-N 2 0 253.346 -0.876 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484252611 917792854 /nfs/dbraw/zinc/79/28/54/917792854.db2.gz VUVQNRFORDYPME-CQSZACIVSA-N 2 0 265.357 -0.732 20 30 CBEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484478565 917865676 /nfs/dbraw/zinc/86/56/76/917865676.db2.gz UQUHGWMFVNGBFL-LBPRGKRZSA-N 2 0 255.362 -0.323 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)CC1CC[NH+](C)CC1 ZINC001484495244 917876127 /nfs/dbraw/zinc/87/61/27/917876127.db2.gz GTFBBUMBPUTNBA-UHFFFAOYSA-N 2 0 281.400 -0.238 20 30 CBEDRP C#CCC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001484493870 917877140 /nfs/dbraw/zinc/87/71/40/917877140.db2.gz MCNJVUZWDGCKPR-CQSZACIVSA-N 2 0 281.400 -0.238 20 30 CBEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001484872311 917955109 /nfs/dbraw/zinc/95/51/09/917955109.db2.gz YTIOFRTUAMYEQT-ZDUSSCGKSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001484897340 917962694 /nfs/dbraw/zinc/96/26/94/917962694.db2.gz KBKWNQHBQHEXPM-QWHCGFSZSA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001493581716 919584079 /nfs/dbraw/zinc/58/40/79/919584079.db2.gz XVLTVBVEMXYEAL-UHFFFAOYSA-N 2 0 294.399 -0.732 20 30 CBEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496978446 920190731 /nfs/dbraw/zinc/19/07/31/920190731.db2.gz CRDQNALOIZQYPB-FRRDWIJNSA-N 2 0 269.389 -0.031 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001497895040 920418946 /nfs/dbraw/zinc/41/89/46/920418946.db2.gz KDCCYYOAYXYGBC-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497911611 920420675 /nfs/dbraw/zinc/42/06/75/920420675.db2.gz ZCHHNRYBOLSYSA-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001497991424 920434590 /nfs/dbraw/zinc/43/45/90/920434590.db2.gz QNOOCWAOVHRRIY-CHWSQXEVSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001498197478 920514938 /nfs/dbraw/zinc/51/49/38/920514938.db2.gz MZKTXYFUPWPRBX-QWHCGFSZSA-N 2 0 296.415 -0.441 20 30 CBEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500722985 920865546 /nfs/dbraw/zinc/86/55/46/920865546.db2.gz YTVGHLXRHVKLOZ-MRXNPFEDSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500762217 920878658 /nfs/dbraw/zinc/87/86/58/920878658.db2.gz DSGIJRZCFZCQQG-DZGCQCFKSA-N 2 0 279.384 -0.486 20 30 CBEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500762912 920881237 /nfs/dbraw/zinc/88/12/37/920881237.db2.gz RFKBFBBXUDWZDC-CQSZACIVSA-N 2 0 267.373 -0.179 20 30 CBEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501364441 920979898 /nfs/dbraw/zinc/97/98/98/920979898.db2.gz NHKRUVKONRJXLE-GOEBONIOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969004 922329149 /nfs/dbraw/zinc/32/91/49/922329149.db2.gz HRFNITHRRUOZPJ-STQMWFEESA-N 2 0 291.399 -0.521 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CCCOC)CC1 ZINC001521469265 922357712 /nfs/dbraw/zinc/35/77/12/922357712.db2.gz GEZNPBCWPMWQHN-UHFFFAOYSA-N 2 0 267.373 -0.174 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCSCCC[NH3+] ZINC001521511524 922364608 /nfs/dbraw/zinc/36/46/08/922364608.db2.gz BSQPUXRRVYWPDI-VHSXEESVSA-N 2 0 256.375 -0.314 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001522997675 922554730 /nfs/dbraw/zinc/55/47/30/922554730.db2.gz DSYQHGDEBZOBAQ-LBPRGKRZSA-N 2 0 267.377 -0.581 20 30 CBEDRP OCC[NH+](CC#CC[N@@H+](CCO)C1CC1)C1CC1 ZINC000351618329 353476545 /nfs/dbraw/zinc/47/65/45/353476545.db2.gz IBIKHNZGHUXPJH-UHFFFAOYSA-N 2 0 252.358 -0.097 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000490781111 354447115 /nfs/dbraw/zinc/44/71/15/354447115.db2.gz WGUIRCNSKMBIOZ-CQSZACIVSA-N 2 0 279.384 -0.532 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@H+](CC)CCCO)CC1 ZINC000490781022 354447231 /nfs/dbraw/zinc/44/72/31/354447231.db2.gz UHMNJONPLNFWQL-UHFFFAOYSA-N 2 0 267.373 -0.532 20 30 CBEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000572993332 354903144 /nfs/dbraw/zinc/90/31/44/354903144.db2.gz YVUAYDPMVUUGQZ-MJBXVCDLSA-N 2 0 269.389 -0.472 20 30 CBEDRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594444557 355248672 /nfs/dbraw/zinc/24/86/72/355248672.db2.gz SZDBTWXTAVGCCI-RYUDHWBXSA-N 2 0 296.371 -0.239 20 30 CBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600735038 355564398 /nfs/dbraw/zinc/56/43/98/355564398.db2.gz JNAXUGBEEPPSLY-SNVBAGLBSA-N 2 0 272.349 -0.706 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000627386602 356636949 /nfs/dbraw/zinc/63/69/49/356636949.db2.gz SQNGEZPKQWYKBO-GFCCVEGCSA-N 2 0 280.372 -0.769 20 30 CBEDRP C=CCNC(=O)NC(=O)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000107577368 220203179 /nfs/dbraw/zinc/20/31/79/220203179.db2.gz XZTBNDBORIVMAS-AOOOYVTPSA-N 2 0 252.318 -0.851 20 30 CBEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236029 373778716 /nfs/dbraw/zinc/77/87/16/373778716.db2.gz RNKQGXFQCRDYLC-CHWSQXEVSA-N 2 0 294.399 -0.440 20 30 CBEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236030 373778736 /nfs/dbraw/zinc/77/87/36/373778736.db2.gz RNKQGXFQCRDYLC-OLZOCXBDSA-N 2 0 294.399 -0.440 20 30 CBEDRP C[NH+]=C(NCCn1cccc1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000261677441 220244046 /nfs/dbraw/zinc/24/40/46/220244046.db2.gz CTMVEGGHGSKMRG-AWEZNQCLSA-N 2 0 290.415 -0.347 20 30 CBEDRP COCC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000261975503 220245985 /nfs/dbraw/zinc/24/59/85/220245985.db2.gz FWOODOVRZPTSPI-LBPRGKRZSA-N 2 0 270.377 -0.256 20 30 CBEDRP C[NH+]=C(NCc1nncn1C)N[C@H]1CCN(C2CC2)C1 ZINC000262767430 220257858 /nfs/dbraw/zinc/25/78/58/220257858.db2.gz JLYJHGNCEIZDHQ-JTQLQIEISA-N 2 0 277.376 -0.283 20 30 CBEDRP C[NH+]=C(NCc1ccco1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000269492419 220273483 /nfs/dbraw/zinc/27/34/83/220273483.db2.gz TXHGJGGADOEORJ-GFCCVEGCSA-N 2 0 277.372 -0.056 20 30 CBEDRP CC(C)CCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000305199491 220324973 /nfs/dbraw/zinc/32/49/73/220324973.db2.gz MIRUNHYDWHOQFL-GFCCVEGCSA-N 2 0 253.394 -0.063 20 30 CBEDRP CC[NH+]1CCN(c2ccc(CNC(N)=[NH2+])cn2)CC1 ZINC000303361006 220325536 /nfs/dbraw/zinc/32/55/36/220325536.db2.gz CCAWPMVNZDXKLM-UHFFFAOYSA-N 2 0 262.361 -0.003 20 30 CBEDRP CN1CCN(C(=O)CCNC(=O)N2CCN(C)CC2)CC1 ZINC000328842157 220330265 /nfs/dbraw/zinc/33/02/65/220330265.db2.gz UQBGLAVENHEBKR-UHFFFAOYSA-N 2 0 297.403 -0.688 20 30 CBEDRP CC[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000330749607 220361809 /nfs/dbraw/zinc/36/18/09/220361809.db2.gz UKNQZDWBCMESHP-LBPRGKRZSA-N 2 0 271.409 -0.313 20 30 CBEDRP C=CC[C@@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662400256 419595331 /nfs/dbraw/zinc/59/53/31/419595331.db2.gz OXHFIJFZLZAKRD-AWEZNQCLSA-N 2 0 266.389 -0.294 20 30 CBEDRP C=CC[C@@]1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662400763 419595739 /nfs/dbraw/zinc/59/57/39/419595739.db2.gz DRSKHBRFSVFNTN-HNNXBMFYSA-N 2 0 294.399 -0.425 20 30 CBEDRP C=CC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000662812783 419734821 /nfs/dbraw/zinc/73/48/21/419734821.db2.gz FTWNUYLMYOCNTF-AAEUAGOBSA-N 2 0 253.346 -0.211 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCC[NH2+]1 ZINC000662818085 419737629 /nfs/dbraw/zinc/73/76/29/419737629.db2.gz OLILDLJSDCJGQA-AWEZNQCLSA-N 2 0 267.373 -0.003 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC000663217929 419828013 /nfs/dbraw/zinc/82/80/13/419828013.db2.gz UUGGTSOQPSOBAL-AWEZNQCLSA-N 2 0 265.357 -0.115 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CC[NH+](C)C1 ZINC000262275206 276170429 /nfs/dbraw/zinc/17/04/29/276170429.db2.gz HVFUBDHXEHDDEU-TZMCWYRMSA-N 3 0 283.420 -0.558 20 30 CBEDRP C[C@@H]1C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@H](O)C[C@@H]1C ZINC000341905778 278031651 /nfs/dbraw/zinc/03/16/51/278031651.db2.gz CRIRAWSLIYXEPA-LVEBTZEWSA-N 2 0 252.358 -0.100 20 30 CBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC(C)C ZINC000262774699 280841444 /nfs/dbraw/zinc/84/14/44/280841444.db2.gz IZZPZGOQSSJQQN-GFCCVEGCSA-N 2 0 253.394 -0.050 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](O)C(C)(C)C2)CC1 ZINC000490741280 332111457 /nfs/dbraw/zinc/11/14/57/332111457.db2.gz TXAKNJDBFVCINE-AWEZNQCLSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000491753012 332328521 /nfs/dbraw/zinc/32/85/21/332328521.db2.gz NLWXNQIMFUGNEX-ZDUSSCGKSA-N 2 0 281.404 -0.856 20 30 CBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719712 333006309 /nfs/dbraw/zinc/00/63/09/333006309.db2.gz SDUWZTCMUAZFID-AWEZNQCLSA-N 2 0 280.416 -0.306 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCO)CC1 ZINC000183920622 333123564 /nfs/dbraw/zinc/12/35/64/333123564.db2.gz IJOOEYHULDOYAV-UHFFFAOYSA-N 2 0 281.400 -0.238 20 30 CBEDRP C=CCCOCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000581186518 336021061 /nfs/dbraw/zinc/02/10/61/336021061.db2.gz YCVFLCUTSLBKFZ-AWEZNQCLSA-N 2 0 271.405 -0.223 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000104168509 582113162 /nfs/dbraw/zinc/11/31/62/582113162.db2.gz XXDDTBHHMAXGDN-LBPRGKRZSA-N 2 0 271.409 -0.437 20 30 CBEDRP CC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000104172386 582113200 /nfs/dbraw/zinc/11/32/00/582113200.db2.gz TZXZCNMRWARTDT-AWEZNQCLSA-N 2 0 297.447 -0.045 20 30 CBEDRP C[NH+]1CCN(CC#CCN2CC[NH+](C)CC2)CC1 ZINC000792862164 582396418 /nfs/dbraw/zinc/39/64/18/582396418.db2.gz KJNKCXZWQWQLCE-UHFFFAOYSA-N 2 0 250.390 -0.515 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCCNC(=O)C(=C)C[NH+](C)C ZINC000804589370 582430447 /nfs/dbraw/zinc/43/04/47/582430447.db2.gz NVCCZUIDUGQZCX-UHFFFAOYSA-N 2 0 296.415 -0.156 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831091651 582956505 /nfs/dbraw/zinc/95/65/05/582956505.db2.gz AJCMDIASZPTWDX-CYBMUJFWSA-N 2 0 252.362 -0.007 20 30 CBEDRP COCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]CC1 ZINC000834484993 583125109 /nfs/dbraw/zinc/12/51/09/583125109.db2.gz QRHAPXLCWTUKJN-MNOVXSKESA-N 2 0 266.345 -0.770 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000834495175 583126635 /nfs/dbraw/zinc/12/66/35/583126635.db2.gz STJMKPGVZFBVOP-KGYLQXTDSA-N 2 0 288.355 -0.351 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000840504262 583165767 /nfs/dbraw/zinc/16/57/67/583165767.db2.gz PCCZIRWAKGBHLS-LBPRGKRZSA-N 2 0 283.372 -0.333 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000840504258 583165796 /nfs/dbraw/zinc/16/57/96/583165796.db2.gz PCCZIRWAKGBHLS-GFCCVEGCSA-N 2 0 283.372 -0.333 20 30 CBEDRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000844195535 583260633 /nfs/dbraw/zinc/26/06/33/583260633.db2.gz WVIVHDCEEYBKCT-CHWSQXEVSA-N 2 0 279.388 -0.758 20 30 CBEDRP C[C@H](CNC1=[NH+]C[C@@H](C)N1)C[NH+]1CCN(C)CC1 ZINC000848994715 583465409 /nfs/dbraw/zinc/46/54/09/583465409.db2.gz YIZFJCJKVVWVMV-VXGBXAGGSA-N 2 0 253.394 -0.193 20 30 CBEDRP CN1CC[NH+]=C1NCCCN1CCC[N@H+](C)CC1 ZINC000848999994 583465756 /nfs/dbraw/zinc/46/57/56/583465756.db2.gz DGJVUWACTNCBFU-UHFFFAOYSA-N 2 0 253.394 -0.095 20 30 CBEDRP C[C@H]1C[NH+]=C(NCCCN2CCC[N@H+](C)CC2)N1 ZINC000849000438 583465998 /nfs/dbraw/zinc/46/59/98/583465998.db2.gz TYEZEEYOBSYBID-LBPRGKRZSA-N 2 0 253.394 -0.049 20 30 CBEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)NC1CC1 ZINC000849000312 583466087 /nfs/dbraw/zinc/46/60/87/583466087.db2.gz ROLMJZIGHAPDFV-LLVKDONJSA-N 2 0 281.404 -0.099 20 30 CBEDRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852800205 583553545 /nfs/dbraw/zinc/55/35/45/583553545.db2.gz MROXCHHREXMXRT-YPMHNXCESA-N 2 0 265.357 -0.436 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852867075 583564285 /nfs/dbraw/zinc/56/42/85/583564285.db2.gz QHRNMAJJKZEUIO-LLVKDONJSA-N 2 0 266.345 -0.143 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000852879264 583566487 /nfs/dbraw/zinc/56/64/87/583566487.db2.gz CGKXOSQUJWQAJI-OAHLLOKOSA-N 2 0 290.411 -0.505 20 30 CBEDRP C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000863589812 583848181 /nfs/dbraw/zinc/84/81/81/583848181.db2.gz XXDLWYXHOYYQFY-LSDHHAIUSA-N 2 0 283.416 -0.387 20 30 CBEDRP C=C1[C@H](C(=O)NCC[NH+](C)C)[C@H]1C(=O)NCC[NH+](C)C ZINC000866116953 583916490 /nfs/dbraw/zinc/91/64/90/583916490.db2.gz XHRQYKDWBRJNQT-RYUDHWBXSA-N 2 0 282.388 -0.856 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000875623791 584111874 /nfs/dbraw/zinc/11/18/74/584111874.db2.gz VYKUCVIVWDDWCM-ZDUSSCGKSA-N 2 0 282.388 -0.693 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000876542476 584132665 /nfs/dbraw/zinc/13/26/65/584132665.db2.gz PIXFYENRXOWWFC-VHSXEESVSA-N 2 0 260.769 -0.442 20 30 CBEDRP [NH3+]CCCOCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877055201 584164413 /nfs/dbraw/zinc/16/44/13/584164413.db2.gz LFIZFGHAAHXIGN-UHFFFAOYSA-N 2 0 253.346 -0.529 20 30 CBEDRP C#CCNC(=O)CC[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865671 584219336 /nfs/dbraw/zinc/21/93/36/584219336.db2.gz MOECTNAHOQQREM-CQSZACIVSA-N 2 0 267.373 -0.486 20 30 CBEDRP C[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884019299 584355986 /nfs/dbraw/zinc/35/59/86/584355986.db2.gz PUAQRUVJGIZICW-WDBLDGLGSA-N 2 0 262.357 -0.054 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000900657881 584819371 /nfs/dbraw/zinc/81/93/71/584819371.db2.gz CKUALGIXFAZMLE-CYBMUJFWSA-N 2 0 268.405 -0.144 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900812333 584828780 /nfs/dbraw/zinc/82/87/80/584828780.db2.gz VDZWFWZQSHIHSP-STQMWFEESA-N 2 0 268.405 -0.145 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000901191106 584854322 /nfs/dbraw/zinc/85/43/22/584854322.db2.gz ZRZPMXRDWSFOKA-ZDUSSCGKSA-N 2 0 257.378 -0.077 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373546 613036214 /nfs/dbraw/zinc/03/62/14/613036214.db2.gz HFZFIPZGKXXOKX-GJZGRUSLSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CCO)C2)CC1 ZINC000970920051 613131464 /nfs/dbraw/zinc/13/14/64/613131464.db2.gz IKMHPVRFCAPKBI-CYBMUJFWSA-N 2 0 293.411 -0.240 20 30 CBEDRP CC#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374928 613614841 /nfs/dbraw/zinc/61/48/41/613614841.db2.gz PRSXHFAYYOJTGF-HUUCEWRRSA-N 2 0 293.411 -0.240 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599393 657287202 /nfs/dbraw/zinc/28/72/02/657287202.db2.gz JMOLCFQAZWJTSI-UHFFFAOYSA-N 2 0 257.378 -0.123 20 30 CBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262255159 656129743 /nfs/dbraw/zinc/12/97/43/656129743.db2.gz DTDQHHPXURZEQA-NEPJUHHUSA-N 2 0 269.393 -0.685 20 30 CBEDRP C=CCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303374346 656138944 /nfs/dbraw/zinc/13/89/44/656138944.db2.gz NAXRFPFPSVPXEA-GFCCVEGCSA-N 2 0 253.394 -0.040 20 30 CBEDRP COCCNC(=[NH2+])NCCCC[NH+]1CCOCC1 ZINC000303264839 656138983 /nfs/dbraw/zinc/13/89/83/656138983.db2.gz SYGRLDSDNWTXCG-UHFFFAOYSA-N 2 0 258.366 -0.351 20 30 CBEDRP CC(C)[C@H](CNC(=[NH2+])N1CCOCC1)N1CC[NH+](C)CC1 ZINC000303777070 656139176 /nfs/dbraw/zinc/13/91/76/656139176.db2.gz INNNAXKRDHRPIQ-AWEZNQCLSA-N 2 0 297.447 -0.095 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303792189 656139400 /nfs/dbraw/zinc/13/94/00/656139400.db2.gz YFSBBGPGMUOJLG-NSHDSACASA-N 2 0 267.377 -0.346 20 30 CBEDRP CC[NH+](CC)CCNC(NCCN1CCOCC1)=[NH+]C ZINC000303696767 656139672 /nfs/dbraw/zinc/13/96/72/656139672.db2.gz FGIUFAPAZAODTH-UHFFFAOYSA-N 2 0 285.436 -0.175 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@H+](C)C1 ZINC000303882723 656139779 /nfs/dbraw/zinc/13/97/79/656139779.db2.gz IJAFAFIWNKFGBU-CYBMUJFWSA-N 2 0 283.420 -0.565 20 30 CBEDRP CC[N@H+](CCNC(NCCN1CCOCC1)=[NH+]C)C1CC1 ZINC000303972483 656140040 /nfs/dbraw/zinc/14/00/40/656140040.db2.gz FUNXPWRKEFHBQJ-UHFFFAOYSA-N 2 0 297.447 -0.032 20 30 CBEDRP C[C@H](CNC(=[NH2+])N1CCSCC1)N1CC[NH+](C)CC1 ZINC000303982034 656140253 /nfs/dbraw/zinc/14/02/53/656140253.db2.gz PUPFANCBDGDDQF-GFCCVEGCSA-N 2 0 285.461 -0.014 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)O1 ZINC000305076244 656141305 /nfs/dbraw/zinc/14/13/05/656141305.db2.gz LCMFFAURFOCUEU-IJLUTSLNSA-N 2 0 297.403 -0.592 20 30 CBEDRP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905448977 656357448 /nfs/dbraw/zinc/35/74/48/656357448.db2.gz CCOSBPPHYLUCRW-ZIAGYGMSSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC001004201394 656882535 /nfs/dbraw/zinc/88/25/35/656882535.db2.gz OUMWIFDGWKNCBN-UHFFFAOYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911693824 657104907 /nfs/dbraw/zinc/10/49/07/657104907.db2.gz OSUZJJREZJIWHM-LBPRGKRZSA-N 2 0 254.378 -0.309 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913524022 657492265 /nfs/dbraw/zinc/49/22/65/657492265.db2.gz WQRVJJVDPZIZEN-STQMWFEESA-N 2 0 265.357 -0.469 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000913524572 657492689 /nfs/dbraw/zinc/49/26/89/657492689.db2.gz SDYHSTHUOBWIDA-AAEUAGOBSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405982 658047199 /nfs/dbraw/zinc/04/71/99/658047199.db2.gz HJHKTZIGBQXSQX-NTTUHNMPSA-N 2 0 289.379 -0.280 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503971 658311304 /nfs/dbraw/zinc/31/13/04/658311304.db2.gz NDKQBWGWIFCEQD-GHMZBOCLSA-N 2 0 268.361 -0.085 20 30 CBEDRP C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000925314173 658822807 /nfs/dbraw/zinc/82/28/07/658822807.db2.gz RQQXPXLARREVBZ-NSHDSACASA-N 2 0 266.345 -0.577 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000928647659 659056849 /nfs/dbraw/zinc/05/68/49/659056849.db2.gz IKEVLWYNMIQJSC-UKRRQHHQSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000928648638 659057160 /nfs/dbraw/zinc/05/71/60/659057160.db2.gz OQMDYBGEJOBUSL-HNNXBMFYSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[N@@H+](CCO)CC2)CC1 ZINC000989734728 659611711 /nfs/dbraw/zinc/61/17/11/659611711.db2.gz AOJGYSQYWCBSBD-UHFFFAOYSA-N 2 0 293.411 -0.142 20 30 CBEDRP [NH2+]=C(NCCCN1CCOCC1)NCC[NH+]1CCCC1 ZINC000170907797 790413003 /nfs/dbraw/zinc/41/30/03/790413003.db2.gz ITKMJPHNHZRTJJ-UHFFFAOYSA-N 2 0 283.420 -0.291 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121605 790992295 /nfs/dbraw/zinc/99/22/95/790992295.db2.gz GTZASFHZCATQBJ-RFQIPJPRSA-N 2 0 277.368 -0.280 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CCO)CC1 ZINC001085986636 806632850 /nfs/dbraw/zinc/63/28/50/806632850.db2.gz JOKLLRDJDDRCMG-OAHLLOKOSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001029004019 799186029 /nfs/dbraw/zinc/18/60/29/799186029.db2.gz RZGUMXODXJSDEQ-CQSZACIVSA-N 2 0 293.411 -0.238 20 30 CBEDRP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688856 799533323 /nfs/dbraw/zinc/53/33/23/799533323.db2.gz MRHOECXDNNEISV-CABCVRRESA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001047324729 801833545 /nfs/dbraw/zinc/83/35/45/801833545.db2.gz VZEQGSIOUUNQHZ-RDBSUJKOSA-N 2 0 279.384 -0.393 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133982682 814332712 /nfs/dbraw/zinc/33/27/12/814332712.db2.gz HQJIYYODAAJUHG-NSHDSACASA-N 2 0 270.377 -0.665 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655614 814955745 /nfs/dbraw/zinc/95/57/45/814955745.db2.gz PNWAHFMHCJZVGH-LBPRGKRZSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655840 814955880 /nfs/dbraw/zinc/95/58/80/814955880.db2.gz SRFZSJIDPUDPBY-LBPRGKRZSA-N 2 0 284.404 -0.275 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001321661475 803797408 /nfs/dbraw/zinc/79/74/08/803797408.db2.gz MEFNEYDNDFDRBU-MNOVXSKESA-N 2 0 293.371 -0.263 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001325109628 804241622 /nfs/dbraw/zinc/24/16/22/804241622.db2.gz FQLPUDKFRDHPRV-DZGCQCFKSA-N 2 0 279.384 -0.343 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001325128293 804244521 /nfs/dbraw/zinc/24/45/21/804244521.db2.gz YIHQZNDIASWNGD-INIZCTEOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]C1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001325817383 804317692 /nfs/dbraw/zinc/31/76/92/804317692.db2.gz HSBUKRKZMDMPQG-UHFFFAOYSA-N 2 0 292.427 -0.114 20 30 CBEDRP C=C[C@@H](COC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001325843891 804324454 /nfs/dbraw/zinc/32/44/54/804324454.db2.gz KJAAQUWVQWKJPL-QWHCGFSZSA-N 2 0 257.378 -0.615 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001152426946 815120658 /nfs/dbraw/zinc/12/06/58/815120658.db2.gz RAMVFRGGXSXHLG-CYBMUJFWSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091956 810241799 /nfs/dbraw/zinc/24/17/99/810241799.db2.gz UJKAAGQGXCXHER-BARDWOONSA-N 2 0 291.395 -0.033 20 30 CBEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090815080 810569366 /nfs/dbraw/zinc/56/93/66/810569366.db2.gz MIDZRXDHMQPJCR-QWHCGFSZSA-N 2 0 267.373 -0.180 20 30 CBEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001098449645 810847750 /nfs/dbraw/zinc/84/77/50/810847750.db2.gz FFLMHDLLJRLEKB-OAHLLOKOSA-N 2 0 293.411 -0.001 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989514 810986801 /nfs/dbraw/zinc/98/68/01/810986801.db2.gz RRYHLOWBMFBILB-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064121 811008514 /nfs/dbraw/zinc/00/85/14/811008514.db2.gz IJOZLHCEHCOITD-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074836 811014517 /nfs/dbraw/zinc/01/45/17/811014517.db2.gz UDLHEPBYGHALSH-OLZOCXBDSA-N 2 0 285.388 -0.698 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131855 811026360 /nfs/dbraw/zinc/02/63/60/811026360.db2.gz JUFRPNACFMBMGP-KBPBESRZSA-N 2 0 281.400 -0.099 20 30 CBEDRP CC(C)C[C@H](NC(=O)C[C@@H]([NH3+])CCCC[NH3+])C(=O)NO ZINC001157303795 815421011 /nfs/dbraw/zinc/42/10/11/815421011.db2.gz ONLHQFPNWNSFKN-QWRGUYRKSA-N 2 0 288.392 -0.131 20 30 CBEDRP C=C(C[NH+]1CCCC1)C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157335781 815424411 /nfs/dbraw/zinc/42/44/11/815424411.db2.gz JRTNKBMUJSJEPA-ZDUSSCGKSA-N 2 0 296.415 -0.002 20 30 CBEDRP C#CC[C@H]([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCCC1 ZINC001157370495 815429542 /nfs/dbraw/zinc/42/95/42/815429542.db2.gz DFQWMQDYCJIGNI-STQMWFEESA-N 2 0 294.399 -0.427 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CCC([NH3+])(CC(=O)OCC)CC1 ZINC001157448581 815435305 /nfs/dbraw/zinc/43/53/05/815435305.db2.gz APVANQKNFQSEMY-ZDUSSCGKSA-N 2 0 281.356 -0.390 20 30 CBEDRP CC1(C#N)CN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157694052 815453677 /nfs/dbraw/zinc/45/36/77/815453677.db2.gz LPMBHFIPTJGWHK-NSHDSACASA-N 2 0 265.361 -0.891 20 30 CBEDRP N#C[C@@H]1CNCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157982280 815494437 /nfs/dbraw/zinc/49/44/37/815494437.db2.gz KYIXSSTVKLBAFQ-WDEREUQCSA-N 2 0 253.350 -0.843 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001158275483 815518591 /nfs/dbraw/zinc/51/85/91/815518591.db2.gz WNQCWKHBZOXIOF-UHFFFAOYSA-N 2 0 277.372 -0.213 20 30 CBEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC001118087743 812468153 /nfs/dbraw/zinc/46/81/53/812468153.db2.gz FEIXKWHMKJYZDL-LSDHHAIUSA-N 2 0 297.447 -0.582 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118322702 812529642 /nfs/dbraw/zinc/52/96/42/812529642.db2.gz NWEYMNGWVQAIIH-ZIAGYGMSSA-N 2 0 293.415 -0.096 20 30 CBEDRP C[NH2+]C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001119298655 812747598 /nfs/dbraw/zinc/74/75/98/812747598.db2.gz FJSCJYAEZQLZDZ-URAGZPLESA-N 2 0 250.346 -0.150 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC001119419048 812779541 /nfs/dbraw/zinc/77/95/41/812779541.db2.gz ZZAFXRGFCCYFRD-TXEJJXNPSA-N 2 0 294.399 -0.394 20 30 CBEDRP CC[NH+]1CCN(CC[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC001120482103 812972169 /nfs/dbraw/zinc/97/21/69/812972169.db2.gz WHQUGDGVWUWLME-HNNXBMFYSA-N 2 0 297.447 -0.580 20 30 CBEDRP C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC001120573339 812994786 /nfs/dbraw/zinc/99/47/86/812994786.db2.gz CPBNLNJFVCVSMH-GJZGRUSLSA-N 2 0 297.447 -0.582 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001122002759 813102387 /nfs/dbraw/zinc/10/23/87/813102387.db2.gz JYSBHMRGGFLYIA-ZDUSSCGKSA-N 2 0 265.357 -0.610 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122198681 813131424 /nfs/dbraw/zinc/13/14/24/813131424.db2.gz MERZYLUBGKIDOR-LLVKDONJSA-N 2 0 279.340 -0.989 20 30 CBEDRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001122330737 813148429 /nfs/dbraw/zinc/14/84/29/813148429.db2.gz HQXSCBKHLSUVKK-NWDGAFQWSA-N 2 0 268.361 -0.156 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124866336 813489786 /nfs/dbraw/zinc/48/97/86/813489786.db2.gz AFXQLGLKCXUEOM-VXGBXAGGSA-N 2 0 282.388 -0.523 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124879603 813494749 /nfs/dbraw/zinc/49/47/49/813494749.db2.gz XIIBAQPUMJSZDA-LBPRGKRZSA-N 2 0 253.346 -0.564 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127481294 813734074 /nfs/dbraw/zinc/73/40/74/813734074.db2.gz RAWSPAUHAIUXSZ-AWEZNQCLSA-N 2 0 279.384 -0.316 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785075 813748574 /nfs/dbraw/zinc/74/85/74/813748574.db2.gz FKCXYYLBYNWCOY-STQMWFEESA-N 2 0 265.357 -0.421 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129363000 813838776 /nfs/dbraw/zinc/83/87/76/813838776.db2.gz DFORCKSKXYTTGW-GFCCVEGCSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130296965 813922622 /nfs/dbraw/zinc/92/26/22/813922622.db2.gz GCBBQCTYWDLHKM-GFCCVEGCSA-N 2 0 282.388 -0.521 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130306270 813927516 /nfs/dbraw/zinc/92/75/16/813927516.db2.gz UOKZGFZSTDIDOE-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525718 814037168 /nfs/dbraw/zinc/03/71/68/814037168.db2.gz HWIDAIQYBJQZCT-MBHSVXNSSA-N 2 0 265.357 -0.259 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525717 814038584 /nfs/dbraw/zinc/03/85/84/814038584.db2.gz HWIDAIQYBJQZCT-LXVYMNJGSA-N 2 0 265.357 -0.259 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132993469 814206959 /nfs/dbraw/zinc/20/69/59/814206959.db2.gz VRTMUMGWIGBJSH-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132994828 814207786 /nfs/dbraw/zinc/20/77/86/814207786.db2.gz CZUANYCCUDMUGJ-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133294836 814240241 /nfs/dbraw/zinc/24/02/41/814240241.db2.gz WOQLSHOMHFUPRQ-UHFFFAOYSA-N 2 0 297.403 -0.594 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135118691 814439272 /nfs/dbraw/zinc/43/92/72/814439272.db2.gz PQMQXLKSANFILA-UHFFFAOYSA-N 2 0 277.372 -0.213 20 30 CBEDRP N#Cc1c(N[C@H]2C[NH2+]C[C@@H]2CO)ncc2c1CCC[NH2+]C2 ZINC001159672137 815584633 /nfs/dbraw/zinc/58/46/33/815584633.db2.gz NFPCHVQMOWPFQO-RISCZKNCSA-N 2 0 287.367 -0.019 20 30 CBEDRP C=CCN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160437333 815621866 /nfs/dbraw/zinc/62/18/66/815621866.db2.gz SGMQDBUQGHNNRX-NSHDSACASA-N 2 0 272.418 -0.664 20 30 CBEDRP N#C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])C1 ZINC001160642464 815650666 /nfs/dbraw/zinc/65/06/66/815650666.db2.gz JGNVFEUCAUUSCG-UWVGGRQHSA-N 2 0 256.375 -0.232 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001160813248 815672831 /nfs/dbraw/zinc/67/28/31/815672831.db2.gz XSDYLTXBVNIWRN-BYCMXARLSA-N 2 0 293.367 -0.662 20 30 CBEDRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161040545 815702263 /nfs/dbraw/zinc/70/22/63/815702263.db2.gz BVQKLHLANBMVCH-GFCCVEGCSA-N 2 0 295.387 -0.794 20 30 CBEDRP C[C@@H](C#N)N(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161144582 815721044 /nfs/dbraw/zinc/72/10/44/815721044.db2.gz NRONSSWFVJGMIF-GXSJLCMTSA-N 2 0 253.350 -0.893 20 30 CBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001161489838 815761888 /nfs/dbraw/zinc/76/18/88/815761888.db2.gz XLGKSJZHNNCDCS-SNVBAGLBSA-N 2 0 282.344 -0.642 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001292493792 816455164 /nfs/dbraw/zinc/45/51/64/816455164.db2.gz AGDIYXOHAJHCPL-ZDUSSCGKSA-N 2 0 296.415 -0.192 20 30 CBEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001311903478 816848457 /nfs/dbraw/zinc/84/84/57/816848457.db2.gz XCAOZHMQMHFUHP-CQSZACIVSA-N 2 0 295.431 -0.514 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001317124770 816936382 /nfs/dbraw/zinc/93/63/82/816936382.db2.gz YBAMXDCAAKXOJY-BETUJISGSA-N 2 0 294.399 -0.686 20 30 CBEDRP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317277820 816956762 /nfs/dbraw/zinc/95/67/62/816956762.db2.gz AGAMHLBDQNISQX-YPMHNXCESA-N 2 0 297.403 -0.693 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317282438 816957193 /nfs/dbraw/zinc/95/71/93/816957193.db2.gz ISXYPBNALFUNBW-VXGBXAGGSA-N 2 0 282.388 -0.830 20 30 CBEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317287760 816959273 /nfs/dbraw/zinc/95/92/73/816959273.db2.gz CVQOOWHWQGVQIV-QWHCGFSZSA-N 2 0 267.373 -0.318 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001317622661 817032462 /nfs/dbraw/zinc/03/24/62/817032462.db2.gz HTONQMSEJROBKI-UHFFFAOYSA-N 2 0 294.399 -0.874 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320217520 817295890 /nfs/dbraw/zinc/29/58/90/817295890.db2.gz OTBQOPJHLYEDMO-CHWSQXEVSA-N 2 0 267.373 -0.441 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001320233182 817299320 /nfs/dbraw/zinc/29/93/20/817299320.db2.gz GBQNMQPNZWPBJU-RYUDHWBXSA-N 2 0 257.378 -0.175 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320270384 817310422 /nfs/dbraw/zinc/31/04/22/817310422.db2.gz LUJKWGFDPHWZMG-LBPRGKRZSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165772370 819982289 /nfs/dbraw/zinc/98/22/89/819982289.db2.gz NVKCQFOYAUSDNY-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166695023 820015761 /nfs/dbraw/zinc/01/57/61/820015761.db2.gz ZMDRIGRNBLRMBM-STQMWFEESA-N 2 0 294.399 -0.971 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166708804 820020045 /nfs/dbraw/zinc/02/00/45/820020045.db2.gz WPBWOPSBVIZZTO-OLZOCXBDSA-N 2 0 296.415 -0.418 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851553 820042421 /nfs/dbraw/zinc/04/24/21/820042421.db2.gz CYFFYLVAAQWQDM-STQMWFEESA-N 2 0 296.415 -0.440 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168755724 820176280 /nfs/dbraw/zinc/17/62/80/820176280.db2.gz QYFKSWRRCIBUJK-UHFFFAOYSA-N 2 0 282.388 -0.827 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)COC1CC[NH+](C)CC1 ZINC001169541666 820253492 /nfs/dbraw/zinc/25/34/92/820253492.db2.gz MXOGQGWITHFYKR-UHFFFAOYSA-N 2 0 267.373 -0.174 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176063888 820437689 /nfs/dbraw/zinc/43/76/89/820437689.db2.gz IFNHEXRLKZHAJI-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176096488 820440028 /nfs/dbraw/zinc/44/00/28/820440028.db2.gz SDWWFMYLMQTBHD-QWHCGFSZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@@H](C)C(N)=O)CC1 ZINC001176926872 820481466 /nfs/dbraw/zinc/48/14/66/820481466.db2.gz YKUHHRCHVWESSO-LBPRGKRZSA-N 2 0 294.399 -0.699 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181652387 820807159 /nfs/dbraw/zinc/80/71/59/820807159.db2.gz LZWBHMCBCPTCEB-OLZOCXBDSA-N 2 0 294.399 -0.427 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C[N@@H+](C)C1CCC1 ZINC001279731235 828336569 /nfs/dbraw/zinc/33/65/69/828336569.db2.gz MZDGPSMRXJDIMM-UHFFFAOYSA-N 2 0 267.373 -0.486 20 30 CBEDRP COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001279792533 828338774 /nfs/dbraw/zinc/33/87/74/828338774.db2.gz XMOYXETXDGFUBT-CQSZACIVSA-N 2 0 297.399 -0.859 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(CCO)CC[NH2+]CCF)CC1 ZINC001279912011 828340767 /nfs/dbraw/zinc/34/07/67/828340767.db2.gz QONQXDLFZYHVSE-UHFFFAOYSA-N 2 0 299.390 -0.288 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001283772920 828547363 /nfs/dbraw/zinc/54/73/63/828547363.db2.gz UQHVTKULSONUQD-CYBMUJFWSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001283819603 828553492 /nfs/dbraw/zinc/55/34/92/828553492.db2.gz XXNOGBLWEBBALQ-LBPRGKRZSA-N 2 0 265.357 -0.828 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001193447574 824028134 /nfs/dbraw/zinc/02/81/34/824028134.db2.gz SGDNDJHVJYEBFT-BFHYXJOUSA-N 2 0 299.390 -0.149 20 30 CBEDRP COCC#CCN1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701236 824128262 /nfs/dbraw/zinc/12/82/62/824128262.db2.gz LDVJBQYTLXLUEH-ZIAGYGMSSA-N 2 0 297.399 -0.861 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197536114 824193996 /nfs/dbraw/zinc/19/39/96/824193996.db2.gz KDMAOBOWDZAHSV-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198029154 824215471 /nfs/dbraw/zinc/21/54/71/824215471.db2.gz ORPLVYWZWLEREG-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870659 824337691 /nfs/dbraw/zinc/33/76/91/824337691.db2.gz CBMPVUHKVOLRRW-AWEZNQCLSA-N 2 0 291.395 -0.078 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCCO1 ZINC001201870662 824337767 /nfs/dbraw/zinc/33/77/67/824337767.db2.gz CBMPVUHKVOLRRW-CQSZACIVSA-N 2 0 291.395 -0.078 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209418898 824471245 /nfs/dbraw/zinc/47/12/45/824471245.db2.gz GGHODVLNTIZOCO-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213730150 824514634 /nfs/dbraw/zinc/51/46/34/824514634.db2.gz GCGOCDSQDUZQPS-ZIAGYGMSSA-N 2 0 299.415 -0.044 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832277 824561815 /nfs/dbraw/zinc/56/18/15/824561815.db2.gz NNPWZUWUICBYJV-BNDIWNMDSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218199884 824564010 /nfs/dbraw/zinc/56/40/10/824564010.db2.gz CNHRKNXCAWXVGT-DRZSPHRISA-N 2 0 274.324 -0.468 20 30 CBEDRP Cc1noc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c1C#N ZINC001218504157 824573005 /nfs/dbraw/zinc/57/30/05/824573005.db2.gz SWUHVEMRVFJCKL-NOZJJQNGSA-N 2 0 275.312 -0.008 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1[NH2+]CC[C@H]1O)C[NH2+]CC2 ZINC001218552875 824590102 /nfs/dbraw/zinc/59/01/02/824590102.db2.gz LRLDOBGKXONORM-KOLCDFICSA-N 2 0 292.364 -0.073 20 30 CBEDRP N#Cc1cccc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218589762 824600386 /nfs/dbraw/zinc/60/03/86/824600386.db2.gz PFNSGLIZHGWRAZ-LBPRGKRZSA-N 2 0 288.355 -0.358 20 30 CBEDRP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])CSCC[NH3+])o1 ZINC001218649898 824616223 /nfs/dbraw/zinc/61/62/23/824616223.db2.gz MMCQVLZQJJGHDF-ZETCQYMHSA-N 2 0 269.330 -0.188 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C#C)n1 ZINC001218657310 824616486 /nfs/dbraw/zinc/61/64/86/824616486.db2.gz IJVOQWVXBANSED-NSHDSACASA-N 2 0 281.319 -0.813 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218659606 824618595 /nfs/dbraw/zinc/61/85/95/824618595.db2.gz IVQZIBLGLQFCIX-VIFPVBQESA-N 2 0 279.348 -0.381 20 30 CBEDRP N#Cc1cc(N)c(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)cc1C#N ZINC001218987266 824651544 /nfs/dbraw/zinc/65/15/44/824651544.db2.gz LBLALGROOCVFID-LLVKDONJSA-N 2 0 296.334 -0.240 20 30 CBEDRP N#CC1(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1 ZINC001219608111 824852185 /nfs/dbraw/zinc/85/21/85/824852185.db2.gz PNLFIKDRQKVGBC-LLVKDONJSA-N 2 0 265.361 -0.701 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCCC1(O)C[NH2+]C1 ZINC001219696956 824882236 /nfs/dbraw/zinc/88/22/36/824882236.db2.gz OANNOGSXNBINMM-ZDUSSCGKSA-N 2 0 288.351 -0.731 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@@H](O)C1 ZINC001219732337 824886340 /nfs/dbraw/zinc/88/63/40/824886340.db2.gz SGDNDJHVJYEBFT-MJBXVCDLSA-N 2 0 299.390 -0.149 20 30 CBEDRP N#Cc1ccc([C@@H](C(=O)NCC[NH3+])N2CC[NH2+]CC2)cc1 ZINC001219870727 824905960 /nfs/dbraw/zinc/90/59/60/824905960.db2.gz RJMPTESBEZCFIP-AWEZNQCLSA-N 2 0 287.367 -0.421 20 30 CBEDRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NC1=CC(=O)CCC1 ZINC001219885476 824909145 /nfs/dbraw/zinc/90/91/45/824909145.db2.gz QIQXKZZXUGBYMZ-ZDUSSCGKSA-N 2 0 280.372 -0.510 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220043249 824942642 /nfs/dbraw/zinc/94/26/42/824942642.db2.gz LBHLGSFDKHCMCD-JTQLQIEISA-N 2 0 256.350 -0.749 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220124762 824959977 /nfs/dbraw/zinc/95/99/77/824959977.db2.gz KHLTYRYVEIYYNU-BXUZGUMPSA-N 2 0 281.356 -0.579 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NC1(C[NH3+])COC1 ZINC001220154221 824970997 /nfs/dbraw/zinc/97/09/97/824970997.db2.gz PPUIVSDCXBFYEZ-LBPRGKRZSA-N 2 0 274.324 -0.728 20 30 CBEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220272149 825001317 /nfs/dbraw/zinc/00/13/17/825001317.db2.gz RAIZHFZTMXPGAS-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319126 825013503 /nfs/dbraw/zinc/01/35/03/825013503.db2.gz DFUSGPFKAHZMAD-DRZSPHRISA-N 2 0 251.330 -0.636 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC1(C(=O)OCC)CC[NH+](C)CC1 ZINC001220344728 825019695 /nfs/dbraw/zinc/01/96/95/825019695.db2.gz AYRVPPKRPHZNAH-ZDUSSCGKSA-N 2 0 281.356 -0.519 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1O[C@@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481436 825046258 /nfs/dbraw/zinc/04/62/58/825046258.db2.gz HFNNUCLJZPFASD-DCQANWLSSA-N 2 0 269.345 -0.822 20 30 CBEDRP COC(=O)c1ccc(C(=N)NC(=O)[C@H]([NH3+])CCC[NH3+])cc1 ZINC001220577619 825069698 /nfs/dbraw/zinc/06/96/98/825069698.db2.gz ZDOHDVORGABJJI-LLVKDONJSA-N 2 0 292.339 -0.229 20 30 CBEDRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NCCCS ZINC001220587369 825071847 /nfs/dbraw/zinc/07/18/47/825071847.db2.gz BLEYQJBFOFLWFG-SNVBAGLBSA-N 2 0 260.407 -0.827 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688557 825087559 /nfs/dbraw/zinc/08/75/59/825087559.db2.gz KDMAOBOWDZAHSV-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@@H]1O ZINC001220868452 825115437 /nfs/dbraw/zinc/11/54/37/825115437.db2.gz KIRWGNTZYVFTQZ-TUAOUCFPSA-N 2 0 253.346 -0.667 20 30 CBEDRP N#Cc1cnc(CNC(=O)[C@H]([NH3+])CCC[NH3+])s1 ZINC001220872170 825117239 /nfs/dbraw/zinc/11/72/39/825117239.db2.gz MSRCPYWGLCRSOZ-MRVPVSSYSA-N 2 0 253.331 -0.303 20 30 CBEDRP N#CC1(NC(=O)[C@@H]([NH3+])CCCC[NH3+])CCOCC1 ZINC001220967131 825130368 /nfs/dbraw/zinc/13/03/68/825130368.db2.gz STUCQDVLPSHPJO-JTQLQIEISA-N 2 0 254.334 -0.368 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220976423 825131926 /nfs/dbraw/zinc/13/19/26/825131926.db2.gz YUKWMSXTFBDZLB-MJBXVCDLSA-N 2 0 297.399 -0.698 20 30 CBEDRP N#Cc1ccnc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235869219 825515327 /nfs/dbraw/zinc/51/53/27/825515327.db2.gz BZKPBYXWCVPGBY-UHFFFAOYSA-N 2 0 288.399 -0.462 20 30 CBEDRP N#Cc1cccc(CN2CC[NH2+]CCNCC[NH2+]CC2)n1 ZINC001235870974 825516582 /nfs/dbraw/zinc/51/65/82/825516582.db2.gz NYGGBKPSEWMLBU-UHFFFAOYSA-N 2 0 288.399 -0.462 20 30 CBEDRP C=CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238243949 825550856 /nfs/dbraw/zinc/55/08/56/825550856.db2.gz WVGKJQKFLGMEIR-NSHDSACASA-N 2 0 273.402 -0.034 20 30 CBEDRP N#CCS(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238242761 825551247 /nfs/dbraw/zinc/55/12/47/825551247.db2.gz QTJOOJMLTARKGJ-JTQLQIEISA-N 2 0 272.374 -0.696 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989726 825617808 /nfs/dbraw/zinc/61/78/08/825617808.db2.gz OCMKYMUXSGGBMY-CQSZACIVSA-N 2 0 267.373 -0.977 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]C[C@@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245989092 825618057 /nfs/dbraw/zinc/61/80/57/825618057.db2.gz XVRLYZSCKMXQEM-KBPBESRZSA-N 2 0 281.400 -0.539 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+]CCCC[C@H]([NH3+])C(N)=O ZINC001246007155 825621217 /nfs/dbraw/zinc/62/12/17/825621217.db2.gz JCGOIYNUJJWGGC-QWRGUYRKSA-N 2 0 259.350 -0.878 20 30 CBEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246021518 825623931 /nfs/dbraw/zinc/62/39/31/825623931.db2.gz NQXNXTFPFADLBW-CHWSQXEVSA-N 2 0 256.346 -0.827 20 30 CBEDRP C#CCOC[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028089 825626608 /nfs/dbraw/zinc/62/66/08/825626608.db2.gz ZUZCCXFNIWBUMN-CHWSQXEVSA-N 2 0 256.346 -0.827 20 30 CBEDRP C=C[C@H](O)C[N@@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246048488 825628944 /nfs/dbraw/zinc/62/89/44/825628944.db2.gz XWJVNUXMHZGPJP-KDBYPZKRSA-N 2 0 280.368 -0.136 20 30 CBEDRP C=C(C)C(=O)NCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246190594 825648055 /nfs/dbraw/zinc/64/80/55/825648055.db2.gz GCMANQRCYHOUEF-GFCCVEGCSA-N 2 0 266.389 -0.248 20 30 CBEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@H]1CCN[C@H](C#N)C1 ZINC001246513977 825679054 /nfs/dbraw/zinc/67/90/54/825679054.db2.gz XNWBSIWNHYKRNC-SRVKXCTJSA-N 2 0 267.377 -0.536 20 30 CBEDRP N#C[C@@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246820227 825716664 /nfs/dbraw/zinc/71/66/64/825716664.db2.gz JNNHIGRDXWVZJM-ZIAGYGMSSA-N 2 0 265.405 -0.237 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001251821590 825789225 /nfs/dbraw/zinc/78/92/25/825789225.db2.gz SGGGHOGTBNILTC-CQSZACIVSA-N 2 0 269.389 -0.776 20 30 CBEDRP C#CCOC[C@H](O)CN1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001251844407 825793772 /nfs/dbraw/zinc/79/37/72/825793772.db2.gz RIPNTSNYIPGHFX-RRFJBIMHSA-N 2 0 282.384 -0.350 20 30 CBEDRP C#CCOC[C@@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001251848164 825795209 /nfs/dbraw/zinc/79/52/09/825795209.db2.gz VEGYSMMGOWZODJ-AWEZNQCLSA-N 2 0 271.405 -0.578 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1C[C@@H]2C[NH+](CC)C[C@H]2C1 ZINC001251861042 825798696 /nfs/dbraw/zinc/79/86/96/825798696.db2.gz ZEIKTMAWJYKNCX-MELADBBJSA-N 2 0 252.358 -0.119 20 30 CBEDRP C=CCOC[C@H](O)C[NH+]1CCN(CC[NH+](C)C)CC1 ZINC001252454594 825867731 /nfs/dbraw/zinc/86/77/31/825867731.db2.gz RSXSKXWLHVJSHG-CQSZACIVSA-N 2 0 271.405 -0.271 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252487120 825870685 /nfs/dbraw/zinc/87/06/85/825870685.db2.gz MNBBYHXHWYRKOX-CQSZACIVSA-N 2 0 272.389 -0.156 20 30 CBEDRP CC[NH2+]CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001262034485 826626998 /nfs/dbraw/zinc/62/69/98/826626998.db2.gz FMNAFAYWUCCNET-AKJDGMEZSA-N 2 0 250.346 -0.149 20 30 CBEDRP C[NH2+][C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC001262034761 826627104 /nfs/dbraw/zinc/62/71/04/826627104.db2.gz MXPWEGBMVQBMGS-BEVNXUHPSA-N 2 0 262.357 -0.054 20 30 CBEDRP CC(C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001262034867 826627158 /nfs/dbraw/zinc/62/71/58/826627158.db2.gz QIAFMXDFZWEBMS-RUETXSTFSA-N 2 0 250.346 -0.021 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC001263193129 826752379 /nfs/dbraw/zinc/75/23/79/826752379.db2.gz CCSGONGCLWEJRQ-DTWKUNHWSA-N 2 0 263.263 -0.053 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001263193128 826753305 /nfs/dbraw/zinc/75/33/05/826753305.db2.gz CCSGONGCLWEJRQ-BDAKNGLRSA-N 2 0 263.263 -0.053 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863786 826930797 /nfs/dbraw/zinc/93/07/97/826930797.db2.gz KTSKKMPIMILUKC-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001265870166 826932202 /nfs/dbraw/zinc/93/22/02/826932202.db2.gz KMXLZYJCKNGHSR-NWDGAFQWSA-N 2 0 294.399 -0.700 20 30 CBEDRP C=CC[NH+]1CCN(CCNC(=O)CC[NH+](C)C)CC1 ZINC001266292408 826973014 /nfs/dbraw/zinc/97/30/14/826973014.db2.gz HRLWIUPEAGWYPQ-UHFFFAOYSA-N 2 0 268.405 -0.142 20 30 CBEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001266585056 827027256 /nfs/dbraw/zinc/02/72/56/827027256.db2.gz SNLYGMOXRWRUDZ-JHJVBQTASA-N 2 0 265.357 -0.423 20 30 CBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@H+](C)C1CCC1 ZINC001266726050 827059120 /nfs/dbraw/zinc/05/91/20/827059120.db2.gz FJZIVCUOCUKMKQ-UHFFFAOYSA-N 2 0 295.387 -0.842 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266928216 827086706 /nfs/dbraw/zinc/08/67/06/827086706.db2.gz QBJFDSZJCBCTPY-VXGBXAGGSA-N 2 0 282.388 -0.523 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]CCO)CC1 ZINC001267117178 827114475 /nfs/dbraw/zinc/11/44/75/827114475.db2.gz NYVOMHKRIGDVRW-UHFFFAOYSA-N 2 0 267.373 -0.628 20 30 CBEDRP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800062 827221833 /nfs/dbraw/zinc/22/18/33/827221833.db2.gz MLDLYFTZZAGCPH-NWDGAFQWSA-N 2 0 295.387 -0.795 20 30 CBEDRP COCC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268014862 827241848 /nfs/dbraw/zinc/24/18/48/827241848.db2.gz YTVFFEICKOGMNR-KBPBESRZSA-N 2 0 281.400 -0.070 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268329425 827303940 /nfs/dbraw/zinc/30/39/40/827303940.db2.gz UEESXSZKAYLPGM-RYUDHWBXSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422751 827324226 /nfs/dbraw/zinc/32/42/26/827324226.db2.gz HNFPMFAUCASSLO-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[NH+]1CCCC1 ZINC001268625078 827383318 /nfs/dbraw/zinc/38/33/18/827383318.db2.gz KLFZXGZEKVUCLW-ARJAWSKDSA-N 2 0 292.383 -0.906 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001268711837 827409429 /nfs/dbraw/zinc/40/94/29/827409429.db2.gz WYKHSCDWOKTZOT-LBPRGKRZSA-N 2 0 294.399 -0.521 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001272224689 827770654 /nfs/dbraw/zinc/77/06/54/827770654.db2.gz HGQXYBHGIRLPHR-UHFFFAOYSA-N 2 0 281.400 -0.096 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001272306987 827779015 /nfs/dbraw/zinc/77/90/15/827779015.db2.gz HOAWFEYRGOTVOL-CYBMUJFWSA-N 2 0 267.373 -0.628 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001272444492 827799065 /nfs/dbraw/zinc/79/90/65/827799065.db2.gz USHOBRRYRRJDFH-STQMWFEESA-N 2 0 269.389 -0.337 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272503167 827808360 /nfs/dbraw/zinc/80/83/60/827808360.db2.gz BADOFBBDESAOMJ-IHRRRGAJSA-N 2 0 281.400 -0.193 20 30 CBEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001272585883 827825900 /nfs/dbraw/zinc/82/59/00/827825900.db2.gz XUYKRKGFRCFXMP-LBPRGKRZSA-N 2 0 255.362 -0.275 20 30 CBEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCO1 ZINC001273244374 827876760 /nfs/dbraw/zinc/87/67/60/827876760.db2.gz PZBQWKOQVNNQPT-UONOGXRCSA-N 2 0 295.383 -0.843 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCOC ZINC001274096485 827967856 /nfs/dbraw/zinc/96/78/56/827967856.db2.gz FMNMNFGWXNKKLT-WSNITJDQSA-N 2 0 279.384 -0.008 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001274810145 828031778 /nfs/dbraw/zinc/03/17/78/828031778.db2.gz GMILXRDWPYCYFC-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001275039629 828051190 /nfs/dbraw/zinc/05/11/90/828051190.db2.gz VPWDJNJAIKHTJY-LLVKDONJSA-N 2 0 283.376 -0.939 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277863637 828213933 /nfs/dbraw/zinc/21/39/33/828213933.db2.gz QLABRWPFKOMIKZ-QWHCGFSZSA-N 2 0 296.415 -0.488 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001278099179 828246796 /nfs/dbraw/zinc/24/67/96/828246796.db2.gz FQNVAKNDSPTUSV-AWEZNQCLSA-N 2 0 293.411 -0.048 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278833079 828294732 /nfs/dbraw/zinc/29/47/32/828294732.db2.gz PBTRLLOURHGPCP-CYBMUJFWSA-N 2 0 267.373 -0.486 20 30 CBEDRP C#CC[N@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001331162304 886700903 /nfs/dbraw/zinc/70/09/03/886700903.db2.gz VRNQKKLWTNKZLW-UHFFFAOYSA-N 2 0 279.384 -0.220 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[C@H](O)C[NH2+]C)CC1 ZINC001343425727 889906702 /nfs/dbraw/zinc/90/67/02/889906702.db2.gz VPJNBTJGFMGKIZ-DGCLKSJQSA-N 2 0 269.389 -0.031 20 30 CBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(CC#N)CC2)CC1 ZINC001326159479 884928500 /nfs/dbraw/zinc/92/85/00/884928500.db2.gz IWLNOIDKRQEQAU-ZDUSSCGKSA-N 2 0 266.389 -0.122 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001327857071 885503535 /nfs/dbraw/zinc/50/35/35/885503535.db2.gz RJBXXHVVDJJAME-QWRGUYRKSA-N 2 0 254.334 -0.498 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001328207453 885601672 /nfs/dbraw/zinc/60/16/72/885601672.db2.gz LSFXMVOLYVOOAA-CYBMUJFWSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331630779 886870893 /nfs/dbraw/zinc/87/08/93/886870893.db2.gz JQFCRXRMFYVAES-CHWSQXEVSA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001331725897 886938289 /nfs/dbraw/zinc/93/82/89/886938289.db2.gz QXRBLMKFOJPYHD-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001331773225 886971672 /nfs/dbraw/zinc/97/16/72/886971672.db2.gz CUNMACBZJQTYAA-GFCCVEGCSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001331773227 886971716 /nfs/dbraw/zinc/97/17/16/886971716.db2.gz CUNMACBZJQTYAA-LBPRGKRZSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331787387 886983343 /nfs/dbraw/zinc/98/33/43/886983343.db2.gz IFKRLMYABBNHSE-OLZOCXBDSA-N 2 0 269.389 -0.029 20 30 CBEDRP CC[C@@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331971233 887073090 /nfs/dbraw/zinc/07/30/90/887073090.db2.gz ZLBBVJKIBAFWRH-QRVCZOOMSA-N 2 0 250.346 -0.021 20 30 CBEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001332676440 887400962 /nfs/dbraw/zinc/40/09/62/887400962.db2.gz CDRDYXJFDRPQEZ-CQSZACIVSA-N 2 0 292.383 -0.034 20 30 CBEDRP COCC#CC(=O)NCCN(C)CCC[NH+](C)C ZINC001334498870 888249731 /nfs/dbraw/zinc/24/97/31/888249731.db2.gz DWJOLBACZUCPAA-UHFFFAOYSA-N 2 0 255.362 -0.364 20 30 CBEDRP C#CCN1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001335413724 888526182 /nfs/dbraw/zinc/52/61/82/888526182.db2.gz YUBOCOWRWYSHNM-MRXNPFEDSA-N 2 0 294.443 -0.718 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001340617858 889456440 /nfs/dbraw/zinc/45/64/40/889456440.db2.gz ZEUWOPRXUXDUIU-DTWKUNHWSA-N 2 0 259.737 -0.297 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC001340808887 889490244 /nfs/dbraw/zinc/49/02/44/889490244.db2.gz PDRIDRRPGZIRHQ-GFCCVEGCSA-N 2 0 255.387 -0.237 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC001341098342 889542565 /nfs/dbraw/zinc/54/25/65/889542565.db2.gz RRGQOTFFMNKKAE-UKRRQHHQSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC001341204831 889557110 /nfs/dbraw/zinc/55/71/10/889557110.db2.gz CUFONYLQMUXVRX-GFCCVEGCSA-N 2 0 265.357 -0.434 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)Nc1cc2n(n1)CCNC2 ZINC001342901884 889843011 /nfs/dbraw/zinc/84/30/11/889843011.db2.gz SPVUCJILQKFNEP-UHFFFAOYSA-N 2 0 273.340 -0.072 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343376390 889896503 /nfs/dbraw/zinc/89/65/03/889896503.db2.gz ZRDKMQIWDZQKNP-CYBMUJFWSA-N 2 0 280.372 -0.013 20 30 CBEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC001345767464 890161021 /nfs/dbraw/zinc/16/10/21/890161021.db2.gz TXIRYWPTGKRSFD-OLZOCXBDSA-N 2 0 281.404 -0.240 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC001346236507 890247300 /nfs/dbraw/zinc/24/73/00/890247300.db2.gz HIGYDRHKCOPAFY-QWHCGFSZSA-N 2 0 256.346 -0.957 20 30 CBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC#C[C@@H]2CCCCO2)CC1 ZINC001346378649 890280309 /nfs/dbraw/zinc/28/03/09/890280309.db2.gz QXBRJRNLACKEDD-CVEARBPZSA-N 2 0 295.427 -0.243 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001349370675 890802151 /nfs/dbraw/zinc/80/21/51/890802151.db2.gz FJRPKMWYVCJOJA-VXGBXAGGSA-N 2 0 295.387 -0.679 20 30 CBEDRP [NH3+]CC1(NC(=O)C#CC2CC[NH2+]CC2)CCOCC1 ZINC001349612651 890848881 /nfs/dbraw/zinc/84/88/81/890848881.db2.gz RLFNOCKQCAZHRR-UHFFFAOYSA-N 2 0 265.357 -0.387 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[NH2+]1)C2 ZINC001349808210 890895697 /nfs/dbraw/zinc/89/56/97/890895697.db2.gz MGEBANKFXMCSKQ-MRFPXMQZSA-N 2 0 262.357 -0.006 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCCN1CC[NH+](CC)CC1 ZINC001357430908 891892270 /nfs/dbraw/zinc/89/22/70/891892270.db2.gz MGWMLMKOCVIWBD-UHFFFAOYSA-N 2 0 266.389 -0.647 20 30 CBEDRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001357446656 891893355 /nfs/dbraw/zinc/89/33/55/891893355.db2.gz UBTYNYOBYSEELY-CMPLNLGQSA-N 2 0 266.345 -0.675 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379281750 898537569 /nfs/dbraw/zinc/53/75/69/898537569.db2.gz FGNVYBXOETUJMP-WDEREUQCSA-N 2 0 275.780 -0.243 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001502077178 921337140 /nfs/dbraw/zinc/33/71/40/921337140.db2.gz QHMMGJOFHLXQLU-OLZOCXBDSA-N 2 0 267.373 -0.223 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001502897697 921403632 /nfs/dbraw/zinc/40/36/32/921403632.db2.gz SXONOWPKZHTPID-UHFFFAOYSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001507200132 921735498 /nfs/dbraw/zinc/73/54/98/921735498.db2.gz DOMSBOVYIVBHSP-NEPJUHHUSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001507225121 921759886 /nfs/dbraw/zinc/75/98/86/921759886.db2.gz MFPDYTSUQWTQBI-GFCCVEGCSA-N 2 0 267.373 -0.439 20 30 CBEDRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001471630144 915604793 /nfs/dbraw/zinc/60/47/93/915604793.db2.gz LIQGCAPSKZTLIU-UONOGXRCSA-N 2 0 296.415 -0.352 20 30 CBEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001471630143 915605622 /nfs/dbraw/zinc/60/56/22/915605622.db2.gz LIQGCAPSKZTLIU-KGLIPLIRSA-N 2 0 296.415 -0.352 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001507265316 921795026 /nfs/dbraw/zinc/79/50/26/921795026.db2.gz QSRLPURAPWQFGX-AWEZNQCLSA-N 2 0 277.368 -0.969 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480237599 916343093 /nfs/dbraw/zinc/34/30/93/916343093.db2.gz FKUSKLANMSSQBD-TXEJJXNPSA-N 2 0 295.387 -0.797 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001480809588 916549200 /nfs/dbraw/zinc/54/92/00/916549200.db2.gz YYGZQTXPIALVOY-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481874209 917010164 /nfs/dbraw/zinc/01/01/64/917010164.db2.gz FSUIZYNTJYXGMJ-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481876997 917010521 /nfs/dbraw/zinc/01/05/21/917010521.db2.gz YQNSOMTYVCCGDJ-NEPJUHHUSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CCOC)CC1 ZINC001482798669 917290603 /nfs/dbraw/zinc/29/06/03/917290603.db2.gz JAXWSMCGAZFGKI-CQSZACIVSA-N 2 0 297.399 -0.955 20 30 CBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483257407 917496244 /nfs/dbraw/zinc/49/62/44/917496244.db2.gz HSVSOCQRKKPIOD-RYUDHWBXSA-N 2 0 295.387 -0.795 20 30 CBEDRP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC001483295016 917510866 /nfs/dbraw/zinc/51/08/66/917510866.db2.gz IHOVHROKAWRUGN-NWDGAFQWSA-N 2 0 255.362 -0.013 20 30 CBEDRP CC[C@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001483783693 917680102 /nfs/dbraw/zinc/68/01/02/917680102.db2.gz JHWLTSDVOUMVSU-LLVKDONJSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001484191302 917748404 /nfs/dbraw/zinc/74/84/04/917748404.db2.gz OXZMQBULGQBVDB-ZDUSSCGKSA-N 2 0 279.384 -0.174 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001484208066 917765056 /nfs/dbraw/zinc/76/50/56/917765056.db2.gz LGPUPFFPXBIVQT-ZFWWWQNUSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484247215 917791358 /nfs/dbraw/zinc/79/13/58/917791358.db2.gz RIWHZGAYKZFRBE-MRXNPFEDSA-N 2 0 291.395 -0.342 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001484694816 917926270 /nfs/dbraw/zinc/92/62/70/917926270.db2.gz YHVMFIRMYGRAAO-ZDUSSCGKSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CC[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCOCC1 ZINC001484870618 917951880 /nfs/dbraw/zinc/95/18/80/917951880.db2.gz IDTYOMWEIFWFDK-UHFFFAOYSA-N 2 0 291.395 -0.030 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001485994573 918288721 /nfs/dbraw/zinc/28/87/21/918288721.db2.gz BMOINIMJYFZMIZ-GRYCIOLGSA-N 2 0 255.362 -0.421 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001486027682 918321060 /nfs/dbraw/zinc/32/10/60/918321060.db2.gz NVPHZEYSPDGLMQ-STQMWFEESA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001486052473 918345876 /nfs/dbraw/zinc/34/58/76/918345876.db2.gz IJKCGROOHQBMDS-NEPJUHHUSA-N 2 0 255.362 -0.583 20 30 CBEDRP C=CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486348411 918441948 /nfs/dbraw/zinc/44/19/48/918441948.db2.gz ZRPBZYJDXKKKJP-GFCCVEGCSA-N 2 0 257.378 -0.125 20 30 CBEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486354381 918449065 /nfs/dbraw/zinc/44/90/65/918449065.db2.gz AWMFBZZYWDKESM-AWEZNQCLSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149837 920033544 /nfs/dbraw/zinc/03/35/44/920033544.db2.gz NFUWAHVCTLTRSM-STQMWFEESA-N 2 0 296.415 -0.488 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001496249204 920049861 /nfs/dbraw/zinc/04/98/61/920049861.db2.gz NSWIECRHNFZYGC-CYBMUJFWSA-N 2 0 296.415 -0.488 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001496991870 920198364 /nfs/dbraw/zinc/19/83/64/920198364.db2.gz FFKSVELBYHVISQ-KGLIPLIRSA-N 2 0 299.415 -0.711 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001497495586 920310270 /nfs/dbraw/zinc/31/02/70/920310270.db2.gz JNRSQQROHDYOSF-ZDUSSCGKSA-N 2 0 294.399 -0.874 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497898560 920422969 /nfs/dbraw/zinc/42/29/69/920422969.db2.gz BPPONIVZCSAAKE-NEPJUHHUSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001498021695 920448078 /nfs/dbraw/zinc/44/80/78/920448078.db2.gz JFILRGJOKLKCOS-RYUDHWBXSA-N 2 0 282.388 -0.523 20 30 CBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001499183362 920716069 /nfs/dbraw/zinc/71/60/69/920716069.db2.gz AZKFNYBUODRPPA-GFCCVEGCSA-N 2 0 294.399 -0.379 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507487172 921849459 /nfs/dbraw/zinc/84/94/59/921849459.db2.gz HMVTZUIJPDTDBM-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@](O)(C[NH+](C)C)C2)CC1 ZINC001528681379 922846008 /nfs/dbraw/zinc/84/60/08/922846008.db2.gz XOAPXSLRSAHGSF-INIZCTEOSA-N 2 0 293.411 -0.143 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC001545547459 923316188 /nfs/dbraw/zinc/31/61/88/923316188.db2.gz LDCGSFXIZNSYIU-RYUDHWBXSA-N 2 0 255.362 -0.061 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000567293210 354785723 /nfs/dbraw/zinc/78/57/23/354785723.db2.gz SQNGEZPKQWYKBO-LBPRGKRZSA-N 2 0 280.372 -0.769 20 30 CBEDRP C=C(C)COCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000583921328 355024330 /nfs/dbraw/zinc/02/43/30/355024330.db2.gz OECIPWJVABGLBO-GFCCVEGCSA-N 2 0 270.377 -0.137 20 30 CBEDRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594444558 355248648 /nfs/dbraw/zinc/24/86/48/355248648.db2.gz SZDBTWXTAVGCCI-VXGBXAGGSA-N 2 0 296.371 -0.239 20 30 CBEDRP CNC(=O)CC[NH+](C)CC#CC[N@@H+](C)CCC(=O)NC ZINC000276264281 193263595 /nfs/dbraw/zinc/26/35/95/193263595.db2.gz BNGHUCWMPISSOK-UHFFFAOYSA-N 2 0 282.388 -0.874 20 30 CBEDRP C[NH+]=C(NCCc1ccco1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000155926763 220216885 /nfs/dbraw/zinc/21/68/85/220216885.db2.gz YXPKBBRMQBZMPT-ZDUSSCGKSA-N 2 0 291.399 -0.013 20 30 CBEDRP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178986914 220222478 /nfs/dbraw/zinc/22/24/78/220222478.db2.gz HKPBYMOLUJCIAC-NEPJUHHUSA-N 2 0 267.377 -0.931 20 30 CBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N(C)Cc1ccon1 ZINC000261810880 220245617 /nfs/dbraw/zinc/24/56/17/220245617.db2.gz SLIPXDWAEXPYFF-ZDUSSCGKSA-N 2 0 292.387 -0.318 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N1CCCC1 ZINC000262345134 220249514 /nfs/dbraw/zinc/24/95/14/220249514.db2.gz ZNWWBIYHEVOVOG-GFCCVEGCSA-N 2 0 253.394 -0.097 20 30 CBEDRP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)CCO1 ZINC000262455697 220251613 /nfs/dbraw/zinc/25/16/13/220251613.db2.gz LANLENOFGGAZRW-VXGBXAGGSA-N 2 0 267.377 -0.978 20 30 CBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262529679 220253420 /nfs/dbraw/zinc/25/34/20/220253420.db2.gz MXINIHXDZNEFDF-GFCCVEGCSA-N 2 0 253.394 -0.063 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303884372 220325161 /nfs/dbraw/zinc/32/51/61/220325161.db2.gz MSNITUMLRWZCFK-GFCCVEGCSA-N 2 0 271.409 -0.437 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303985267 220325690 /nfs/dbraw/zinc/32/56/90/220325690.db2.gz SUPXAANYJWBUDC-QWHCGFSZSA-N 2 0 283.420 -0.294 20 30 CBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1C ZINC000329355368 220337067 /nfs/dbraw/zinc/33/70/67/220337067.db2.gz GPJCTKXOSCBFHL-QWHCGFSZSA-N 2 0 283.420 -0.170 20 30 CBEDRP C=C[C@H](CO)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000662167873 419554826 /nfs/dbraw/zinc/55/48/26/419554826.db2.gz QCNWRVQSWUHWOW-KGLIPLIRSA-N 2 0 299.415 -0.404 20 30 CBEDRP C=CCN1CC[C@@H](NC2(CO)CC[NH2+]CC2)C1=O ZINC000662282521 419573792 /nfs/dbraw/zinc/57/37/92/419573792.db2.gz BCCQVMQFHSDIKZ-LLVKDONJSA-N 2 0 253.346 -0.523 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662766295 419714690 /nfs/dbraw/zinc/71/46/90/419714690.db2.gz IENZCXQEHXRSSQ-YPMHNXCESA-N 2 0 253.346 -0.129 20 30 CBEDRP C#CCN(C)CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000491630456 420313283 /nfs/dbraw/zinc/31/32/83/420313283.db2.gz PFRQZFMICDRRGM-HNNXBMFYSA-N 2 0 282.432 -0.861 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659706495 420454124 /nfs/dbraw/zinc/45/41/24/420454124.db2.gz LZXOUOACRLTSEH-LBPRGKRZSA-N 2 0 296.415 -0.133 20 30 CBEDRP CCOCCCNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178991478 276453675 /nfs/dbraw/zinc/45/36/75/276453675.db2.gz JOCCTSQYCWJALJ-GFCCVEGCSA-N 2 0 269.393 -0.683 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCN2CC[NH+](C)CC2)CC1 ZINC000490615033 332095570 /nfs/dbraw/zinc/09/55/70/332095570.db2.gz DDBUTPSVHOBLBF-UHFFFAOYSA-N 2 0 292.427 -0.305 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@H](C)CC)CC1 ZINC000491144239 332155845 /nfs/dbraw/zinc/15/58/45/332155845.db2.gz HSRJLTQNBGSSSU-CQSZACIVSA-N 2 0 281.400 -0.143 20 30 CBEDRP C#CCNC(=O)CC[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000491618951 332245413 /nfs/dbraw/zinc/24/54/13/332245413.db2.gz AQZPBOVJONTLDN-ZDUSSCGKSA-N 2 0 266.389 -0.649 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000491784459 332347455 /nfs/dbraw/zinc/34/74/55/332347455.db2.gz POCZOCPOXNFILX-CYBMUJFWSA-N 2 0 294.399 -0.697 20 30 CBEDRP CN(CCC#N)C[C@@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000517567892 333102650 /nfs/dbraw/zinc/10/26/50/333102650.db2.gz WZUCYHGFUIODNU-KBPBESRZSA-N 2 0 284.404 -0.761 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104167470 582113176 /nfs/dbraw/zinc/11/31/76/582113176.db2.gz NAUORCVZEKJPJS-CYBMUJFWSA-N 2 0 283.420 -0.341 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000808173956 582441954 /nfs/dbraw/zinc/44/19/54/582441954.db2.gz GNMSIEDPOJCFBY-CYBMUJFWSA-N 2 0 267.373 -0.630 20 30 CBEDRP C#CCNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000808781871 582444465 /nfs/dbraw/zinc/44/44/65/582444465.db2.gz VJDLKEHFYMKBLO-UHFFFAOYSA-N 2 0 268.405 -0.449 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000834485059 583125063 /nfs/dbraw/zinc/12/50/63/583125063.db2.gz RDUDMBIDOZMQRC-YVECIDJPSA-N 2 0 262.357 -0.150 20 30 CBEDRP COCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]CC1 ZINC000834484995 583125075 /nfs/dbraw/zinc/12/50/75/583125075.db2.gz QRHAPXLCWTUKJN-WDEREUQCSA-N 2 0 266.345 -0.770 20 30 CBEDRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1(C)C ZINC000834484980 583125151 /nfs/dbraw/zinc/12/51/51/583125151.db2.gz QMRBMFBRZOVRQQ-DEKYYXRVSA-N 2 0 280.372 -0.253 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000834495181 583126485 /nfs/dbraw/zinc/12/64/85/583126485.db2.gz STJMKPGVZFBVOP-WXHSDQCUSA-N 2 0 288.355 -0.351 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000841909781 583176477 /nfs/dbraw/zinc/17/64/77/583176477.db2.gz HUOXVUSHCGTTBL-CHWSQXEVSA-N 2 0 282.388 -0.301 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000843461615 583222705 /nfs/dbraw/zinc/22/27/05/583222705.db2.gz VMHPZPXPMMLDQT-IWSPIJDZSA-N 2 0 258.272 -0.541 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000848307953 583440618 /nfs/dbraw/zinc/44/06/18/583440618.db2.gz UDLCYTHXKORZFZ-LSDHHAIUSA-N 2 0 291.395 -0.391 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CC[C@H](C)C1 ZINC000849004802 583466852 /nfs/dbraw/zinc/46/68/52/583466852.db2.gz AXGKMFNDUBUDAX-AWEZNQCLSA-N 2 0 297.447 -0.175 20 30 CBEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852800200 583553537 /nfs/dbraw/zinc/55/35/37/583553537.db2.gz MROXCHHREXMXRT-AAEUAGOBSA-N 2 0 265.357 -0.436 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861634992 583773712 /nfs/dbraw/zinc/77/37/12/583773712.db2.gz WQESJSPEESSAHE-LBPRGKRZSA-N 2 0 268.361 -0.771 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861768581 583785278 /nfs/dbraw/zinc/78/52/78/583785278.db2.gz LKPQITFLNMNJOK-GFCCVEGCSA-N 2 0 296.415 -0.051 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000876542473 584132772 /nfs/dbraw/zinc/13/27/72/584132772.db2.gz PIXFYENRXOWWFC-NXEZZACHSA-N 2 0 260.769 -0.442 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000876846254 584149175 /nfs/dbraw/zinc/14/91/75/584149175.db2.gz ACECORIIJDCUID-NXEZZACHSA-N 2 0 289.763 -0.180 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876850853 584149645 /nfs/dbraw/zinc/14/96/45/584149645.db2.gz CXUHANMACWMALD-VXGBXAGGSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876869030 584151384 /nfs/dbraw/zinc/15/13/84/584151384.db2.gz BCUJCORVVPKJIS-UWVGGRQHSA-N 2 0 261.753 -0.049 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891921902 584594270 /nfs/dbraw/zinc/59/42/70/584594270.db2.gz XSYRHCCCQOHHOS-HAQNSBGRSA-N 2 0 252.362 -0.022 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000900044014 584789936 /nfs/dbraw/zinc/78/99/36/584789936.db2.gz YZJJKALTTPVMJC-UHFFFAOYSA-N 2 0 268.405 -0.142 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000901191105 584854395 /nfs/dbraw/zinc/85/43/95/584854395.db2.gz ZRZPMXRDWSFOKA-CYBMUJFWSA-N 2 0 257.378 -0.077 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407729 612962737 /nfs/dbraw/zinc/96/27/37/612962737.db2.gz SLGOZLOFYSYMEN-IQXANGCESA-N 2 0 289.379 -0.327 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958373547 613034332 /nfs/dbraw/zinc/03/43/32/613034332.db2.gz HFZFIPZGKXXOKX-HUUCEWRRSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC000970792144 613129102 /nfs/dbraw/zinc/12/91/02/613129102.db2.gz GBTJLPXWYSJNOH-DZGCQCFKSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)C2)CC1 ZINC000970792683 613129124 /nfs/dbraw/zinc/12/91/24/613129124.db2.gz RMVUBTMTZDENQY-CQSZACIVSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979056275 613308396 /nfs/dbraw/zinc/30/83/96/613308396.db2.gz BUGNBXNNZGCUES-SYQHCUMBSA-N 2 0 261.369 -0.135 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])NCCOC)CC1 ZINC000303362421 656138959 /nfs/dbraw/zinc/13/89/59/656138959.db2.gz DFWYJIFVTNRDED-UHFFFAOYSA-N 2 0 257.382 -0.825 20 30 CBEDRP COCCNC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303387613 656138971 /nfs/dbraw/zinc/13/89/71/656138971.db2.gz WZTOXFUZMGUNLI-UHFFFAOYSA-N 2 0 271.409 -0.435 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303780864 656139424 /nfs/dbraw/zinc/13/94/24/656139424.db2.gz LTKWGEATMIHPDJ-LBPRGKRZSA-N 2 0 281.404 -0.099 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303880951 656139795 /nfs/dbraw/zinc/13/97/95/656139795.db2.gz KKSIKSBGFZPLCN-CHWSQXEVSA-N 2 0 285.436 -0.191 20 30 CBEDRP C[NH+]1CCC(CNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000303896828 656140311 /nfs/dbraw/zinc/14/03/11/656140311.db2.gz UUUHEJXJBRIZOK-UHFFFAOYSA-N 2 0 297.447 -0.045 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000884642486 656253445 /nfs/dbraw/zinc/25/34/45/656253445.db2.gz KLKMVXQASVQXNT-NEPJUHHUSA-N 2 0 294.399 -0.299 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001018860896 657849987 /nfs/dbraw/zinc/84/99/87/657849987.db2.gz KWXGWCUKAFPEMM-ZDUSSCGKSA-N 2 0 289.383 -0.118 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001019815454 657945982 /nfs/dbraw/zinc/94/59/82/657945982.db2.gz GBTJLPXWYSJNOH-ZFWWWQNUSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178852 658022416 /nfs/dbraw/zinc/02/24/16/658022416.db2.gz GTZASFHZCATQBJ-AAVRWANBSA-N 2 0 277.368 -0.280 20 30 CBEDRP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCN2CCOCC2)C1 ZINC000989561064 659594291 /nfs/dbraw/zinc/59/42/91/659594291.db2.gz BIAKGLINYBBHSB-UONOGXRCSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001077679715 805767488 /nfs/dbraw/zinc/76/74/88/805767488.db2.gz ZZTQINJZKULLTB-BFHYXJOUSA-N 2 0 279.384 -0.487 20 30 CBEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001078011954 805822394 /nfs/dbraw/zinc/82/23/94/805822394.db2.gz OZKHDBQAGDUVRK-CHWSQXEVSA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466375 806336193 /nfs/dbraw/zinc/33/61/93/806336193.db2.gz RFRJRQYSOPAUHG-KFWWJZLASA-N 2 0 291.395 -0.487 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@@H](C)O)CC1 ZINC001039041888 801284703 /nfs/dbraw/zinc/28/47/03/801284703.db2.gz ILMBMFKRRLAETJ-UKRRQHHQSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001047596690 801907782 /nfs/dbraw/zinc/90/77/82/801907782.db2.gz XEGQDZUOSCOPCS-ILXRZTDVSA-N 2 0 293.411 -0.145 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001047627331 801914127 /nfs/dbraw/zinc/91/41/27/801914127.db2.gz OJOMQZWTVWPAFX-KBPBESRZSA-N 2 0 279.384 -0.391 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001321868541 803831190 /nfs/dbraw/zinc/83/11/90/803831190.db2.gz AGOCFZWIGWPLLD-LBPRGKRZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001325109633 804240565 /nfs/dbraw/zinc/24/05/65/804240565.db2.gz FQLPUDKFRDHPRV-ZFWWWQNUSA-N 2 0 279.384 -0.343 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001325128294 804244793 /nfs/dbraw/zinc/24/47/93/804244793.db2.gz YIHQZNDIASWNGD-MRXNPFEDSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001325126824 804245017 /nfs/dbraw/zinc/24/50/17/804245017.db2.gz RKZAHNQLVFIRGI-CQSZACIVSA-N 2 0 267.373 -0.486 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151100383 815061739 /nfs/dbraw/zinc/06/17/39/815061739.db2.gz ARNFAUIYOPLTCE-UHFFFAOYSA-N 2 0 255.362 -0.009 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)C(=O)NC)CC1 ZINC001152330565 815115221 /nfs/dbraw/zinc/11/52/21/815115221.db2.gz RKOGDGQWNWLPDI-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152439462 815121747 /nfs/dbraw/zinc/12/17/47/815121747.db2.gz NDGNQIHILQMUAR-UHFFFAOYSA-N 2 0 270.377 -0.665 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152445824 815122278 /nfs/dbraw/zinc/12/22/78/815122278.db2.gz OMWRHPBDAUTTDZ-GFCCVEGCSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001086331773 810261426 /nfs/dbraw/zinc/26/14/26/810261426.db2.gz GOFGGFVMACGLHW-AVGNSLFASA-N 2 0 265.357 -0.565 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729997 810559530 /nfs/dbraw/zinc/55/95/30/810559530.db2.gz DIABUFUEWUCCPV-KBPBESRZSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814749 810568870 /nfs/dbraw/zinc/56/88/70/810568870.db2.gz LHMFDFQBDIQVND-UONOGXRCSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC)C[C@H]2O)CC1 ZINC001090832025 810572916 /nfs/dbraw/zinc/57/29/16/810572916.db2.gz XVFVFVKOFQXKJO-HUUCEWRRSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001098561129 810850577 /nfs/dbraw/zinc/85/05/77/810850577.db2.gz SVSJURHDXBYCSB-AWEZNQCLSA-N 2 0 293.411 -0.143 20 30 CBEDRP N#Cc1ncc(NC(=[NH2+])NCCCC[NH3+])nc1C#N ZINC001157098887 815405108 /nfs/dbraw/zinc/40/51/08/815405108.db2.gz FFCVBZRHOHXLAI-UHFFFAOYSA-N 2 0 258.289 -0.105 20 30 CBEDRP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100041404 811002275 /nfs/dbraw/zinc/00/22/75/811002275.db2.gz IZDIDAQVTQXUIV-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076004 811014674 /nfs/dbraw/zinc/01/46/74/811014674.db2.gz DNOWUZMYHJIMCC-ZIAGYGMSSA-N 2 0 297.399 -0.861 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001157537088 815443417 /nfs/dbraw/zinc/44/34/17/815443417.db2.gz VRJACNMLCHHQNK-AGIUHOORSA-N 2 0 276.315 -0.064 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1[C@H](C(=O)OCC)C[C@H]2C[NH2+]C[C@H]21 ZINC001158497551 815535301 /nfs/dbraw/zinc/53/53/01/815535301.db2.gz BQBFEAWRJKSGQZ-DYNIEEOBSA-N 2 0 279.340 -0.911 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)N2CCNCC[NH2+]CC2)CC1 ZINC001120505304 812978160 /nfs/dbraw/zinc/97/81/60/812978160.db2.gz ZYDMCMGMTCYXPP-UHFFFAOYSA-N 2 0 295.431 -0.159 20 30 CBEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC001121944672 813094936 /nfs/dbraw/zinc/09/49/36/813094936.db2.gz CVDGQKFLAYXSPU-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001122064399 813111733 /nfs/dbraw/zinc/11/17/33/813111733.db2.gz XKYAUODDCADWFM-LBPRGKRZSA-N 2 0 263.341 -0.764 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001122200816 813131628 /nfs/dbraw/zinc/13/16/28/813131628.db2.gz PLPOTHWDRUMOOA-JTQLQIEISA-N 2 0 260.769 -0.522 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001122330657 813147988 /nfs/dbraw/zinc/14/79/88/813147988.db2.gz GFBALUFFSZOFGK-NXEZZACHSA-N 2 0 261.753 -0.097 20 30 CBEDRP C[NH+](C)C1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CCC1 ZINC001159854734 815600030 /nfs/dbraw/zinc/60/00/30/815600030.db2.gz RXIIJVYFMOCAJM-UHFFFAOYSA-N 2 0 295.387 -0.794 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643845 813739247 /nfs/dbraw/zinc/73/92/47/813739247.db2.gz NSTDAFGUBBZPJR-JHJVBQTASA-N 2 0 294.399 -0.830 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127784828 813749327 /nfs/dbraw/zinc/74/93/27/813749327.db2.gz BSQIXABQJRSGIS-CHWSQXEVSA-N 2 0 265.357 -0.421 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785071 813749360 /nfs/dbraw/zinc/74/93/60/813749360.db2.gz FKCXYYLBYNWCOY-CHWSQXEVSA-N 2 0 265.357 -0.421 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128773854 813796705 /nfs/dbraw/zinc/79/67/05/813796705.db2.gz GOPUXMMWXHTWGG-CYBMUJFWSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001128774231 813798056 /nfs/dbraw/zinc/79/80/56/813798056.db2.gz PPRSWJASKZDWCA-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129849726 813871072 /nfs/dbraw/zinc/87/10/72/813871072.db2.gz RZEYOWWJQBTPQR-GFCCVEGCSA-N 2 0 295.387 -0.794 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950191 813883084 /nfs/dbraw/zinc/88/30/84/813883084.db2.gz OFOGRVDYABZIBH-OLZOCXBDSA-N 2 0 298.431 -0.031 20 30 CBEDRP CC[C@H](C(=O)NCC[NH2+]CC#CCOC)[NH+](C)C ZINC001130202905 813918384 /nfs/dbraw/zinc/91/83/84/813918384.db2.gz BMCUIUMFAUATDE-GFCCVEGCSA-N 2 0 255.362 -0.318 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303556 813924562 /nfs/dbraw/zinc/92/45/62/813924562.db2.gz DCOFVLAMFGGJIT-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC001131370067 814025454 /nfs/dbraw/zinc/02/54/54/814025454.db2.gz BFWIQKPDJPJYAY-UHFFFAOYSA-N 2 0 299.334 -0.597 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132858670 814194972 /nfs/dbraw/zinc/19/49/72/814194972.db2.gz DURBEGUUTQNFBT-LBPRGKRZSA-N 2 0 255.362 -0.013 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286129 814235790 /nfs/dbraw/zinc/23/57/90/814235790.db2.gz YSRQJSCZIXUFAY-GFCCVEGCSA-N 2 0 296.415 -0.275 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133287730 814235817 /nfs/dbraw/zinc/23/58/17/814235817.db2.gz NLHUTBRTKVHYHC-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133845543 814307437 /nfs/dbraw/zinc/30/74/37/814307437.db2.gz IFYLLRHEIMYICZ-ZDUSSCGKSA-N 2 0 267.373 -0.316 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968126 814331436 /nfs/dbraw/zinc/33/14/36/814331436.db2.gz OOVMYFYWMZTORU-RYUDHWBXSA-N 2 0 282.388 -0.830 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135117866 814439208 /nfs/dbraw/zinc/43/92/08/814439208.db2.gz AOXZHIDXSPXZJX-UHFFFAOYSA-N 2 0 277.372 -0.213 20 30 CBEDRP C[C@H](C[C@H](C)NC(=O)CC[NH+](C)C)[NH2+]CC(=O)NCC#N ZINC001135373426 814470532 /nfs/dbraw/zinc/47/05/32/814470532.db2.gz WGOWJQGPFOAPCF-NEPJUHHUSA-N 2 0 297.403 -0.549 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159991651 815606539 /nfs/dbraw/zinc/60/65/39/815606539.db2.gz DEGOTDNUCRAFTA-UHFFFAOYSA-N 2 0 296.415 -0.131 20 30 CBEDRP N#Cc1c(N[C@@H]2C[NH2+]C[C@@H]2CO)ncc2c1CCC[NH2+]C2 ZINC001159672135 815584933 /nfs/dbraw/zinc/58/49/33/815584933.db2.gz NFPCHVQMOWPFQO-BXUZGUMPSA-N 2 0 287.367 -0.019 20 30 CBEDRP N#C[C@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160879636 815683965 /nfs/dbraw/zinc/68/39/65/815683965.db2.gz RTGVJTJIOKKKTK-QWRGUYRKSA-N 2 0 252.318 -0.936 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCOC[C@H]1C#N ZINC001160934250 815688215 /nfs/dbraw/zinc/68/82/15/815688215.db2.gz ZHJRTEBLNKITJO-NEPJUHHUSA-N 2 0 268.361 -0.203 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001161140531 815720336 /nfs/dbraw/zinc/72/03/36/815720336.db2.gz HXUQPYDVUWZUQL-CIUDSAMLSA-N 2 0 260.338 -0.532 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001161140613 815720383 /nfs/dbraw/zinc/72/03/83/815720383.db2.gz IQROKFFYDUKXOC-GARJFASQSA-N 2 0 254.309 -0.224 20 30 CBEDRP C=CCOC(=O)N[C@H]1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161537063 815767751 /nfs/dbraw/zinc/76/77/51/815767751.db2.gz OZJDIXHBDDKQEG-NWDGAFQWSA-N 2 0 298.387 -0.044 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872253 815847246 /nfs/dbraw/zinc/84/72/46/815847246.db2.gz LXKCPKQRRHLSDT-BBBYJDLNSA-N 2 0 291.395 -0.031 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872051 815847660 /nfs/dbraw/zinc/84/76/60/815847660.db2.gz FKTPSCFRNJDVQV-BBBYJDLNSA-N 2 0 291.395 -0.031 20 30 CBEDRP COCC#CC[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001317086455 816930307 /nfs/dbraw/zinc/93/03/07/816930307.db2.gz HNNZHLPNUACOKB-JOCQHMNTSA-N 2 0 267.373 -0.175 20 30 CBEDRP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317277814 816955915 /nfs/dbraw/zinc/95/59/15/816955915.db2.gz AGAMHLBDQNISQX-AAEUAGOBSA-N 2 0 297.403 -0.693 20 30 CBEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317287759 816959251 /nfs/dbraw/zinc/95/92/51/816959251.db2.gz CVQOOWHWQGVQIV-OLZOCXBDSA-N 2 0 267.373 -0.318 20 30 CBEDRP CN(CCNC(=O)[C@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC001317451497 816983365 /nfs/dbraw/zinc/98/33/65/816983365.db2.gz NJMNXNBKXLPJIN-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001317655089 817040427 /nfs/dbraw/zinc/04/04/27/817040427.db2.gz PYHFFJQOLDLDSO-CHWSQXEVSA-N 2 0 296.415 -0.488 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319224745 817178054 /nfs/dbraw/zinc/17/80/54/817178054.db2.gz JBWVNBCDPRMHEB-QWHCGFSZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320219561 817297427 /nfs/dbraw/zinc/29/74/27/817297427.db2.gz YGEMMLMNECMQCM-CYBMUJFWSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320315446 817320579 /nfs/dbraw/zinc/32/05/79/817320579.db2.gz UJISGIDLOUWPJJ-VXGBXAGGSA-N 2 0 253.346 -0.972 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001320315443 817320592 /nfs/dbraw/zinc/32/05/92/817320592.db2.gz UJISGIDLOUWPJJ-NEPJUHHUSA-N 2 0 253.346 -0.972 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788551 819984248 /nfs/dbraw/zinc/98/42/48/819984248.db2.gz QJEBDKRHNIWJSO-LBPRGKRZSA-N 2 0 284.404 -0.275 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708806 820017984 /nfs/dbraw/zinc/01/79/84/820017984.db2.gz WPBWOPSBVIZZTO-STQMWFEESA-N 2 0 296.415 -0.418 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001171312262 820356730 /nfs/dbraw/zinc/35/67/30/820356730.db2.gz YJUYBEDPRKVDPL-UHFFFAOYSA-N 2 0 279.384 -0.172 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072494 820438627 /nfs/dbraw/zinc/43/86/27/820438627.db2.gz WKLBUGWFIVLEMB-LBPRGKRZSA-N 2 0 282.388 -0.664 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176096746 820439455 /nfs/dbraw/zinc/43/94/55/820439455.db2.gz ZMKLSFCJQFEQAI-UHFFFAOYSA-N 2 0 282.388 -0.520 20 30 CBEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178414175 820580340 /nfs/dbraw/zinc/58/03/40/820580340.db2.gz GKFFQJQWSCBHPN-MELADBBJSA-N 2 0 279.384 -0.081 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183582362 821008126 /nfs/dbraw/zinc/00/81/26/821008126.db2.gz WKCSTZVWCABLIP-CHWSQXEVSA-N 2 0 296.415 -0.181 20 30 CBEDRP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186807596 821198548 /nfs/dbraw/zinc/19/85/48/821198548.db2.gz AYGTVYAXUAUDKS-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001186824649 821199482 /nfs/dbraw/zinc/19/94/82/821199482.db2.gz DDBHSSDTBSQLEG-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001281162155 828406118 /nfs/dbraw/zinc/40/61/18/828406118.db2.gz DYIJXDRCQGVYNB-ZFWWWQNUSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH2+]CCCOCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283470390 828520352 /nfs/dbraw/zinc/52/03/52/828520352.db2.gz BGBRLDCBTQPROJ-ZDUSSCGKSA-N 2 0 267.373 -0.316 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001283763670 828545050 /nfs/dbraw/zinc/54/50/50/828545050.db2.gz IRKQCKXNAOHRRB-CYBMUJFWSA-N 2 0 297.399 -0.813 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001283805776 828550515 /nfs/dbraw/zinc/55/05/15/828550515.db2.gz ZYUJCBIXUGNZKB-CYBMUJFWSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195869331 824135650 /nfs/dbraw/zinc/13/56/50/824135650.db2.gz BERQSMZRQUOOOH-VXGBXAGGSA-N 2 0 255.362 -0.325 20 30 CBEDRP CC#CCN1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493020 824192607 /nfs/dbraw/zinc/19/26/07/824192607.db2.gz CXBKMIPVXBNGQE-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057239 824341893 /nfs/dbraw/zinc/34/18/93/824341893.db2.gz FUHCLOYZYYVFCX-UONOGXRCSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH2+]C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001203349412 824361609 /nfs/dbraw/zinc/36/16/09/824361609.db2.gz NTVGLDUNWYCSGD-UHFFFAOYSA-N 2 0 267.373 -0.222 20 30 CBEDRP N#Cc1ccnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218503520 824573462 /nfs/dbraw/zinc/57/34/62/824573462.db2.gz BLFRDFFPEDSXIZ-GFCCVEGCSA-N 2 0 288.355 -0.358 20 30 CBEDRP N#Cc1c(NC(=O)CNCC[NH3+])sc2c1CC[NH2+]C2 ZINC001218553864 824590536 /nfs/dbraw/zinc/59/05/36/824590536.db2.gz SPZSSEXXVMTBFY-UHFFFAOYSA-N 2 0 279.369 -0.248 20 30 CBEDRP N#Cc1nc[nH]c1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218593691 824600172 /nfs/dbraw/zinc/60/01/72/824600172.db2.gz AYABRZRGEOKTBH-PRHODGIISA-N 2 0 260.301 -0.581 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c(C#C)n1 ZINC001218657442 824618441 /nfs/dbraw/zinc/61/84/41/824618441.db2.gz LPWFCZCSHVKJBG-NSHDSACASA-N 2 0 271.324 -0.166 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1cn(C)nc1C#N ZINC001218667689 824619499 /nfs/dbraw/zinc/61/94/99/824619499.db2.gz JKMRHHHUTOYFPU-VIFPVBQESA-N 2 0 264.333 -0.053 20 30 CBEDRP Cn1cc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C#N)n1 ZINC001218668880 824619557 /nfs/dbraw/zinc/61/95/57/824619557.db2.gz UHWUAQQAYWBXND-NOZJJQNGSA-N 2 0 274.328 -0.571 20 30 CBEDRP Cn1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(C#N)n1 ZINC001218667405 824620159 /nfs/dbraw/zinc/62/01/59/824620159.db2.gz FUBBFKRBIURNGD-LLVKDONJSA-N 2 0 262.317 -0.443 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001218700030 824623631 /nfs/dbraw/zinc/62/36/31/824623631.db2.gz BHUCVSNXDLSGSH-JTQLQIEISA-N 2 0 260.301 -0.386 20 30 CBEDRP N#CC1(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1 ZINC001219608112 824852001 /nfs/dbraw/zinc/85/20/01/824852001.db2.gz PNLFIKDRQKVGBC-NSHDSACASA-N 2 0 265.361 -0.701 20 30 CBEDRP CC(=O)/C=C(/C)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219912366 824913345 /nfs/dbraw/zinc/91/33/45/824913345.db2.gz YHWSHMJWBLUQCC-UPZNUWHASA-N 2 0 268.361 -0.654 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)NCC[NH2+]CCO ZINC001219918148 824915224 /nfs/dbraw/zinc/91/52/24/824915224.db2.gz GCXQMCZRXGYUHQ-ZDUSSCGKSA-N 2 0 276.340 -0.874 20 30 CBEDRP N#CNC(=NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)c1ccncc1 ZINC001219972730 824925439 /nfs/dbraw/zinc/92/54/39/824925439.db2.gz VFMDKDBTARLOKG-IUODEOHRSA-N 2 0 298.350 -0.375 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001220043605 824942648 /nfs/dbraw/zinc/94/26/48/824942648.db2.gz YUBOFLXLVXZQRD-JTQLQIEISA-N 2 0 288.417 -0.796 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319129 825013612 /nfs/dbraw/zinc/01/36/12/825013612.db2.gz DFUSGPFKAHZMAD-KGYLQXTDSA-N 2 0 251.330 -0.636 20 30 CBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220380202 825025137 /nfs/dbraw/zinc/02/51/37/825025137.db2.gz UGGVGDFIPXIXJP-RDBSUJKOSA-N 2 0 299.415 -0.310 20 30 CBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001220415748 825034219 /nfs/dbraw/zinc/03/42/19/825034219.db2.gz VJRJQNRIJSWYJL-QMMMGPOBSA-N 2 0 280.288 -0.626 20 30 CBEDRP C=CCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220484882 825048866 /nfs/dbraw/zinc/04/88/66/825048866.db2.gz YWFAHFOGGZVGNH-GFCCVEGCSA-N 2 0 254.378 -0.181 20 30 CBEDRP CCOC(=O)[C@@H](C#N)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220499357 825050149 /nfs/dbraw/zinc/05/01/49/825050149.db2.gz WVVDHVDNSIQOCL-VHSXEESVSA-N 2 0 270.333 -0.596 20 30 CBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220571630 825067100 /nfs/dbraw/zinc/06/71/00/825067100.db2.gz WHBRNEGZJNSOHK-JRPNMDOOSA-N 2 0 293.367 -0.581 20 30 CBEDRP CC(C)C[C@H](C#N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220701292 825086257 /nfs/dbraw/zinc/08/62/57/825086257.db2.gz ZKRNYVGXNXMZBR-GHMZBOCLSA-N 2 0 250.346 -0.150 20 30 CBEDRP C=CCC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764657 825099231 /nfs/dbraw/zinc/09/92/31/825099231.db2.gz RKAHZALOZKCVAD-OLZOCXBDSA-N 2 0 285.388 -0.698 20 30 CBEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220815447 825105372 /nfs/dbraw/zinc/10/53/72/825105372.db2.gz MGWORVNTTGAUKW-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)NC2(C(=O)OCC)C[NH2+]C2)C1 ZINC001220851236 825112837 /nfs/dbraw/zinc/11/28/37/825112837.db2.gz NGROZWWZMCTKNH-LBPRGKRZSA-N 2 0 267.329 -0.684 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868092 825115957 /nfs/dbraw/zinc/11/59/57/825115957.db2.gz AUFUTFQGHZKBEN-QWHCGFSZSA-N 3 0 278.400 -0.438 20 30 CBEDRP N#Cc1cnc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])s1 ZINC001220872072 825116962 /nfs/dbraw/zinc/11/69/62/825116962.db2.gz JDKLYAFUCVDGNZ-QMMMGPOBSA-N 2 0 285.398 -0.350 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC[C@@H]1O ZINC001220868902 825117382 /nfs/dbraw/zinc/11/73/82/825117382.db2.gz YSRAQGPEGBXKQG-SRVKXCTJSA-N 2 0 253.346 -0.524 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[NH2+]CC[C@H]1O ZINC001220868903 825117489 /nfs/dbraw/zinc/11/74/89/825117489.db2.gz YSRAQGPEGBXKQG-TUAOUCFPSA-N 2 0 253.346 -0.524 20 30 CBEDRP CC[C@H](CC#N)NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220898168 825122074 /nfs/dbraw/zinc/12/20/74/825122074.db2.gz ABCASBVPKQSQJS-NEPJUHHUSA-N 2 0 267.377 -0.455 20 30 CBEDRP C=CC[C@@](C)(NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(=O)OC ZINC001221381699 825179667 /nfs/dbraw/zinc/17/96/67/825179667.db2.gz JCQCQOPIGTWQOO-KCPJHIHWSA-N 2 0 295.383 -0.191 20 30 CBEDRP CC[C@@H](CC#N)N1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246821377 825716681 /nfs/dbraw/zinc/71/66/81/825716681.db2.gz OIBMCASLJNXSCH-ZDUSSCGKSA-N 2 0 253.394 -0.237 20 30 CBEDRP N#C[C@@H]1C[C@@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246859228 825723896 /nfs/dbraw/zinc/72/38/96/825723896.db2.gz KGVFQWASVJOBSK-DQJFZVCTSA-N 2 0 250.346 -0.464 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001251885090 825801043 /nfs/dbraw/zinc/80/10/43/825801043.db2.gz NLRKSOAUYSUTEE-AWEZNQCLSA-N 2 0 283.416 -0.387 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001251887860 825802029 /nfs/dbraw/zinc/80/20/29/825802029.db2.gz LEVVTTJOQGTWEZ-CQSZACIVSA-N 2 0 270.373 -0.709 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252488779 825872693 /nfs/dbraw/zinc/87/26/93/825872693.db2.gz SFEWDUXIKPVMBF-AWEZNQCLSA-N 2 0 271.405 -0.223 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN([C@@H](C)CC(=O)OC)CC1 ZINC001263115773 826740406 /nfs/dbraw/zinc/74/04/06/826740406.db2.gz DBQZJCHBIUKOMQ-LBPRGKRZSA-N 2 0 281.356 -0.695 20 30 CBEDRP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265492151 826900455 /nfs/dbraw/zinc/90/04/55/826900455.db2.gz LUFRGMNJORUQDZ-HAQNSBGRSA-N 2 0 295.387 -0.795 20 30 CBEDRP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001266190141 826960216 /nfs/dbraw/zinc/96/02/16/826960216.db2.gz ZFVBDBZTUXEHJZ-GFCCVEGCSA-N 2 0 295.387 -0.794 20 30 CBEDRP COCC#CC[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001266320570 826981853 /nfs/dbraw/zinc/98/18/53/826981853.db2.gz MHLOKCYJXODLSL-UHFFFAOYSA-N 2 0 255.362 -0.364 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001266616628 827032836 /nfs/dbraw/zinc/03/28/36/827032836.db2.gz FKBPAUFKORKWTK-JHJVBQTASA-N 2 0 296.415 -0.134 20 30 CBEDRP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001266632671 827036335 /nfs/dbraw/zinc/03/63/35/827036335.db2.gz NATJDGDAQILBOE-SRVKXCTJSA-N 2 0 295.387 -0.797 20 30 CBEDRP CC[C@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)[NH+](C)C ZINC001268330497 827305245 /nfs/dbraw/zinc/30/52/45/827305245.db2.gz KQTDFGJEPSNYIX-CHWSQXEVSA-N 2 0 285.388 -0.957 20 30 CBEDRP COCC#CCN1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001269186620 827472811 /nfs/dbraw/zinc/47/28/11/827472811.db2.gz CJFXQTNCNCUZFE-CQSZACIVSA-N 2 0 291.395 -0.078 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001270371505 827561621 /nfs/dbraw/zinc/56/16/21/827561621.db2.gz HXXVRDDDUSIFCB-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001270594756 827581035 /nfs/dbraw/zinc/58/10/35/827581035.db2.gz JKWYELJBMHRJKC-STQMWFEESA-N 2 0 294.399 -0.971 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCO)CC1 ZINC001270603914 827581359 /nfs/dbraw/zinc/58/13/59/827581359.db2.gz MZOUVXSZYNDPTK-ZDUSSCGKSA-N 2 0 281.400 -0.334 20 30 CBEDRP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001271170251 827671752 /nfs/dbraw/zinc/67/17/52/827671752.db2.gz JGZNTRDXOZJIMY-VXGBXAGGSA-N 2 0 297.403 -0.597 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271191677 827674856 /nfs/dbraw/zinc/67/48/56/827674856.db2.gz GKCGSWKTQMRPJK-GDBMZVCRSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001272257999 827775034 /nfs/dbraw/zinc/77/50/34/827775034.db2.gz AJRISSHEAUSDGH-CYBMUJFWSA-N 2 0 269.389 -0.075 20 30 CBEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273358912 827893197 /nfs/dbraw/zinc/89/31/97/827893197.db2.gz OHWBVFQMBYXUEE-AWEZNQCLSA-N 2 0 279.384 -0.078 20 30 CBEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001273496190 827902870 /nfs/dbraw/zinc/90/28/70/827902870.db2.gz WTCIPYZAZCSEQZ-ZDUSSCGKSA-N 2 0 267.373 -0.270 20 30 CBEDRP C=C[C@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880318 827935532 /nfs/dbraw/zinc/93/55/32/827935532.db2.gz AHXWJBXNCIGPTF-ZFWWWQNUSA-N 2 0 297.399 -0.602 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001274986218 828047624 /nfs/dbraw/zinc/04/76/24/828047624.db2.gz OLSQDTXSCVPICC-VXGBXAGGSA-N 2 0 295.387 -0.938 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001278773940 828287108 /nfs/dbraw/zinc/28/71/08/828287108.db2.gz NSUYMALVCZOLSN-QWHCGFSZSA-N 2 0 269.389 -0.241 20 30 CBEDRP C[NH+](C)CCC(=O)NCC[NH+]1CCC(NCC#N)CC1 ZINC001279446058 828322709 /nfs/dbraw/zinc/32/27/09/828322709.db2.gz AZFCDFHHDXLPPI-UHFFFAOYSA-N 2 0 281.404 -0.368 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326062031 884893472 /nfs/dbraw/zinc/89/34/72/884893472.db2.gz HBAICWOWKKBOBR-ZDUSSCGKSA-N 2 0 282.388 -0.029 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001326148498 884923669 /nfs/dbraw/zinc/92/36/69/884923669.db2.gz MZFVGVDZRWGTOO-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340617842 889456297 /nfs/dbraw/zinc/45/62/97/889456297.db2.gz ZEUWOPRXUXDUIU-BDAKNGLRSA-N 2 0 259.737 -0.297 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC001341665736 889646765 /nfs/dbraw/zinc/64/67/65/889646765.db2.gz OWMPUACBJBDRDB-SNVBAGLBSA-N 2 0 292.305 -0.839 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188146148 884721566 /nfs/dbraw/zinc/72/15/66/884721566.db2.gz WBZLRCCVPGDSOS-CYBMUJFWSA-N 2 0 294.399 -0.734 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001327580137 885413734 /nfs/dbraw/zinc/41/37/34/885413734.db2.gz GOHGBRVPUFDXNA-HNNXBMFYSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001328155726 885585873 /nfs/dbraw/zinc/58/58/73/885585873.db2.gz LTSLSCCHPPOEPO-CYBMUJFWSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001328559173 885726178 /nfs/dbraw/zinc/72/61/78/885726178.db2.gz TXSMXKSVAFEDPU-CQSZACIVSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001331738744 886946636 /nfs/dbraw/zinc/94/66/36/886946636.db2.gz IJKCGROOHQBMDS-VXGBXAGGSA-N 2 0 255.362 -0.583 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H](C[NH3+])C1CC1)C2 ZINC001331956974 887060110 /nfs/dbraw/zinc/06/01/10/887060110.db2.gz HECZUYVQBFGZNI-MRFPXMQZSA-N 2 0 262.357 -0.021 20 30 CBEDRP C[C@@H](C[NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331968419 887068468 /nfs/dbraw/zinc/06/84/68/887068468.db2.gz IIHHWAIPIOIKHK-URAGZPLESA-N 2 0 250.346 -0.163 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001332515642 887332202 /nfs/dbraw/zinc/33/22/02/887332202.db2.gz CJTURDLYAWNRLC-GJZGRUSLSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001332522066 887335391 /nfs/dbraw/zinc/33/53/91/887335391.db2.gz MLUMXSLZPIBWLE-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)CC#N ZINC001332698584 887409301 /nfs/dbraw/zinc/40/93/01/887409301.db2.gz HZDTVMXUGXOVRE-CYBMUJFWSA-N 2 0 254.378 -0.170 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N1CC(N2CC[NH+](C)CC2)C1 ZINC001334138130 887875634 /nfs/dbraw/zinc/87/56/34/887875634.db2.gz BKFAHCVKRCORGK-UHFFFAOYSA-N 2 0 280.416 -0.048 20 30 CBEDRP C#CCN1CCC([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001335413723 888526840 /nfs/dbraw/zinc/52/68/40/888526840.db2.gz YUBOCOWRWYSHNM-INIZCTEOSA-N 2 0 294.443 -0.718 20 30 CBEDRP C#C[C@H](CCC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336812567 888889606 /nfs/dbraw/zinc/88/96/06/888889606.db2.gz ZHAGRBJCTQFLCH-ZIAGYGMSSA-N 2 0 253.390 -0.014 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC001340222595 889411139 /nfs/dbraw/zinc/41/11/39/889411139.db2.gz NQJLLMZAZCPWDU-UHFFFAOYSA-N 2 0 279.384 -0.220 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC001340808888 889489333 /nfs/dbraw/zinc/48/93/33/889489333.db2.gz PDRIDRRPGZIRHQ-LBPRGKRZSA-N 2 0 255.387 -0.237 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC001342143374 889720256 /nfs/dbraw/zinc/72/02/56/889720256.db2.gz RDAAHDPKICWBRL-BFHYXJOUSA-N 2 0 279.384 -0.046 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001342724052 889822163 /nfs/dbraw/zinc/82/21/63/889822163.db2.gz SDHFTXIXEGAWNL-AAEUAGOBSA-N 2 0 255.362 -0.018 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001343425730 889906461 /nfs/dbraw/zinc/90/64/61/889906461.db2.gz VPJNBTJGFMGKIZ-YPMHNXCESA-N 2 0 269.389 -0.031 20 30 CBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC#C[C@H]2CCCCO2)CC1 ZINC001346378654 890279777 /nfs/dbraw/zinc/27/97/77/890279777.db2.gz QXBRJRNLACKEDD-HZPDHXFCSA-N 2 0 295.427 -0.243 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001346492388 890305275 /nfs/dbraw/zinc/30/52/75/890305275.db2.gz ISKAFDDNNLFDQK-VXGBXAGGSA-N 2 0 268.361 -0.026 20 30 CBEDRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143336 890416139 /nfs/dbraw/zinc/41/61/39/890416139.db2.gz PDITWUYBEFBEPR-CHWSQXEVSA-N 2 0 264.373 -0.944 20 30 CBEDRP C=CCN1CCC([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CC1 ZINC001348958168 890736344 /nfs/dbraw/zinc/73/63/44/890736344.db2.gz PGJZLUBYJOZPDT-MRXNPFEDSA-N 2 0 296.459 -0.165 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@@H+]21 ZINC001349779710 890887642 /nfs/dbraw/zinc/88/76/42/890887642.db2.gz UKMCFNJFKOMHEU-DZGCQCFKSA-N 2 0 297.399 -0.554 20 30 CBEDRP C[C@@H]([NH3+])CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001353067098 891356337 /nfs/dbraw/zinc/35/63/37/891356337.db2.gz CHMUQRZQRKGPGA-YLXHPXFOSA-N 2 0 250.346 -0.069 20 30 CBEDRP CN(CCC#N)C[C@H](O)C[NH2+]CC#CC[NH+](C)C ZINC001353299765 891394391 /nfs/dbraw/zinc/39/43/91/891394391.db2.gz HRGHOYOCHPZQGK-CYBMUJFWSA-N 2 0 252.362 -0.653 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1CCOCC1 ZINC001353483478 891434461 /nfs/dbraw/zinc/43/44/61/891434461.db2.gz WJOZWHILVKEENI-UHFFFAOYSA-N 2 0 253.346 -0.562 20 30 CBEDRP COC[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001355651361 891699150 /nfs/dbraw/zinc/69/91/50/891699150.db2.gz LVUDQALLKUANJG-ZDUSSCGKSA-N 2 0 265.357 -0.564 20 30 CBEDRP C[NH+]1CCC(OCC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001357446659 891895363 /nfs/dbraw/zinc/89/53/63/891895363.db2.gz UBTYNYOBYSEELY-ZYHUDNBSSA-N 2 0 266.345 -0.675 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC([NH2+][C@@H]3CCOC3)C2)CC1 ZINC001456298775 914456285 /nfs/dbraw/zinc/45/62/85/914456285.db2.gz PKIKDFNXIUEUBH-CQSZACIVSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001502883464 921401683 /nfs/dbraw/zinc/40/16/83/921401683.db2.gz LLXODFNZMROJGW-UHFFFAOYSA-N 2 0 281.400 -0.096 20 30 CBEDRP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001507122595 921686140 /nfs/dbraw/zinc/68/61/40/921686140.db2.gz GLJNJGKBGROLNF-NEPJUHHUSA-N 2 0 297.403 -0.597 20 30 CBEDRP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)NCC#N ZINC001507117527 921681905 /nfs/dbraw/zinc/68/19/05/921681905.db2.gz IBNMFOMUJYEDON-LLVKDONJSA-N 2 0 283.376 -0.986 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(CCn2cncn2)CC1 ZINC001465398308 915050555 /nfs/dbraw/zinc/05/05/55/915050555.db2.gz SCDZNYLOIZMUQF-UHFFFAOYSA-N 2 0 292.387 -0.460 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507232359 921765469 /nfs/dbraw/zinc/76/54/69/921765469.db2.gz KJAKPHYEKGFTPV-STQMWFEESA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507233719 921769585 /nfs/dbraw/zinc/76/95/85/921769585.db2.gz TYUFVYZXJOKLSU-RYUDHWBXSA-N 2 0 253.346 -0.972 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC001471631222 915608600 /nfs/dbraw/zinc/60/86/00/915608600.db2.gz VKQMQNQHPYDQCB-QWHCGFSZSA-N 2 0 264.373 -0.103 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC001471631220 915610026 /nfs/dbraw/zinc/61/00/26/915610026.db2.gz VKQMQNQHPYDQCB-CHWSQXEVSA-N 2 0 264.373 -0.103 20 30 CBEDRP C=CCC[NH2+][C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507262727 921790305 /nfs/dbraw/zinc/79/03/05/921790305.db2.gz ZMDLUHGUKMDMQZ-LBPRGKRZSA-N 2 0 255.362 -0.275 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC001477327588 916006917 /nfs/dbraw/zinc/00/69/17/916006917.db2.gz YUIZMJSHOMUIJP-UHFFFAOYSA-N 2 0 296.415 -0.037 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001479620051 916141876 /nfs/dbraw/zinc/14/18/76/916141876.db2.gz GGTWTJPBDIQRLE-UHFFFAOYSA-N 2 0 276.384 -0.052 20 30 CBEDRP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001480237198 916338053 /nfs/dbraw/zinc/33/80/53/916338053.db2.gz PIRFVRQLYPGVIQ-OKILXGFUSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001482650060 917194938 /nfs/dbraw/zinc/19/49/38/917194938.db2.gz RNGSIRQTSMFKDS-AWEZNQCLSA-N 2 0 281.400 -0.022 20 30 CBEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482714474 917223824 /nfs/dbraw/zinc/22/38/24/917223824.db2.gz BTHKPDJFUMOFEF-NEPJUHHUSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482736404 917243383 /nfs/dbraw/zinc/24/33/83/917243383.db2.gz WTBFRNCIDVWTSA-STQMWFEESA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001482736402 917244659 /nfs/dbraw/zinc/24/46/59/917244659.db2.gz WTBFRNCIDVWTSA-OLZOCXBDSA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482913724 917333954 /nfs/dbraw/zinc/33/39/54/917333954.db2.gz BIPVBKXJUNMFEB-ZDUSSCGKSA-N 2 0 294.399 -0.732 20 30 CBEDRP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC001483295017 917509243 /nfs/dbraw/zinc/50/92/43/917509243.db2.gz IHOVHROKAWRUGN-RYUDHWBXSA-N 2 0 255.362 -0.013 20 30 CBEDRP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484246254 917783060 /nfs/dbraw/zinc/78/30/60/917783060.db2.gz HOJVZVSFLRYOQC-HIFRSBDPSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246719 917784434 /nfs/dbraw/zinc/78/44/34/917784434.db2.gz NYXOQZBBFJYGLR-MRXNPFEDSA-N 2 0 291.395 -0.342 20 30 CBEDRP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484246256 917784711 /nfs/dbraw/zinc/78/47/11/917784711.db2.gz HOJVZVSFLRYOQC-ZFWWWQNUSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001484492148 917874654 /nfs/dbraw/zinc/87/46/54/917874654.db2.gz BBQSQKBEZKZGIG-UHFFFAOYSA-N 2 0 281.400 -0.238 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001486052338 918344239 /nfs/dbraw/zinc/34/42/39/918344239.db2.gz FTAAIRQABUUCBA-RYUDHWBXSA-N 2 0 257.378 -0.031 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053201 918345648 /nfs/dbraw/zinc/34/56/48/918345648.db2.gz WCCDCIDLMICYGT-RYUDHWBXSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486319243 918424292 /nfs/dbraw/zinc/42/42/92/918424292.db2.gz XWWKGDUBEMSUGT-CQSZACIVSA-N 2 0 281.400 -0.096 20 30 CBEDRP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491069935 919022968 /nfs/dbraw/zinc/02/29/68/919022968.db2.gz HGDSWCKFSIFHSI-TXEJJXNPSA-N 2 0 295.387 -0.795 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+][C@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568728 919208321 /nfs/dbraw/zinc/20/83/21/919208321.db2.gz MKXJOJMHLPOXTC-CHWSQXEVSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CC(=O)NC)CC1 ZINC001491683272 919250997 /nfs/dbraw/zinc/25/09/97/919250997.db2.gz RGKDRQARWGMUOD-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491992138 919305505 /nfs/dbraw/zinc/30/55/05/919305505.db2.gz KSRPRJTWYNQMHI-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496978447 920190546 /nfs/dbraw/zinc/19/05/46/920190546.db2.gz CRDQNALOIZQYPB-JHJVBQTASA-N 2 0 269.389 -0.031 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497113680 920254424 /nfs/dbraw/zinc/25/44/24/920254424.db2.gz LLEGNLZUWJIAMG-VXGBXAGGSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]C(C)C)CC1 ZINC001497120526 920255625 /nfs/dbraw/zinc/25/56/25/920255625.db2.gz ZOQYVJWLFUDFKV-CQSZACIVSA-N 2 0 281.400 -0.193 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC001497361389 920292513 /nfs/dbraw/zinc/29/25/13/920292513.db2.gz FOCHUAYLKHIATH-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH2+]C/C=C/CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001497697391 920373419 /nfs/dbraw/zinc/37/34/19/920373419.db2.gz MGUIBBHBKOGART-AATRIKPKSA-N 2 0 289.383 -0.047 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497817926 920404299 /nfs/dbraw/zinc/40/42/99/920404299.db2.gz MMMRJSRFVVNZDL-IJLUTSLNSA-N 2 0 295.387 -0.939 20 30 CBEDRP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001498654721 920622499 /nfs/dbraw/zinc/62/24/99/920622499.db2.gz IHBNNBQBVLIWHK-LBPRGKRZSA-N 2 0 295.387 -0.984 20 30 CBEDRP C#CCC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500722983 920868403 /nfs/dbraw/zinc/86/84/03/920868403.db2.gz YTVGHLXRHVKLOZ-INIZCTEOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001521195214 922340398 /nfs/dbraw/zinc/34/03/98/922340398.db2.gz OWCGIEBBYBEIKP-CHWSQXEVSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCc2[nH]cnc2C12CC[NH2+]CC2 ZINC001522482367 922420352 /nfs/dbraw/zinc/42/03/52/922420352.db2.gz NPIFEAZWBQFSTM-UHFFFAOYSA-N 2 0 287.367 -0.404 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC001545547458 923315653 /nfs/dbraw/zinc/31/56/53/923315653.db2.gz LDCGSFXIZNSYIU-NWDGAFQWSA-N 2 0 255.362 -0.061 20 30 CBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000063180339 351580244 /nfs/dbraw/zinc/58/02/44/351580244.db2.gz FNRPILSJEYCODQ-RYUDHWBXSA-N 2 0 282.388 -0.536 20 30 CBEDRP C=CCNC(=O)NC(=O)[C@H](C)NCC1([NH3+])CCC1 ZINC000342126748 353219016 /nfs/dbraw/zinc/21/90/16/353219016.db2.gz JOQKKJCFJFRHMX-VIFPVBQESA-N 2 0 254.334 -0.142 20 30 CBEDRP OC[C@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@H]1CO ZINC000351266423 353475181 /nfs/dbraw/zinc/47/51/81/353475181.db2.gz DJVINPBQWZOVRB-OKILXGFUSA-N 2 0 252.358 -0.097 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000579834184 354979747 /nfs/dbraw/zinc/97/97/47/354979747.db2.gz PSAVDWGDPYZSBX-NWDGAFQWSA-N 2 0 296.415 -0.005 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579834187 354979837 /nfs/dbraw/zinc/97/98/37/354979837.db2.gz PSAVDWGDPYZSBX-VXGBXAGGSA-N 2 0 296.415 -0.005 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000594444359 355248630 /nfs/dbraw/zinc/24/86/30/355248630.db2.gz PWEOBTQMEJXCQG-KBPBESRZSA-N 2 0 293.415 -0.096 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000594444362 355248713 /nfs/dbraw/zinc/24/87/13/355248713.db2.gz PWEOBTQMEJXCQG-ZIAGYGMSSA-N 2 0 293.415 -0.096 20 30 CBEDRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594424596 355247771 /nfs/dbraw/zinc/24/77/71/355247771.db2.gz GQSSJZMSSZOPQC-CYBMUJFWSA-N 2 0 281.404 -0.239 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000595974926 355332906 /nfs/dbraw/zinc/33/29/06/355332906.db2.gz BTXGDTAZRBDLJU-ZIAGYGMSSA-N 2 0 293.415 -0.096 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000627386463 356637421 /nfs/dbraw/zinc/63/74/21/356637421.db2.gz PCCVKXMPOLHLMK-UHFFFAOYSA-N 2 0 296.415 -0.050 20 30 CBEDRP C=CCN1CC[C@H]([N@@H+](C)CCOCC[NH2+]C)C1=O ZINC000629572396 356780603 /nfs/dbraw/zinc/78/06/03/356780603.db2.gz RSDZAYOANMKIJO-LBPRGKRZSA-N 2 0 255.362 -0.059 20 30 CBEDRP C[NH+]=C(NCCc1ccco1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000155926656 220217096 /nfs/dbraw/zinc/21/70/96/220217096.db2.gz YXPKBBRMQBZMPT-CYBMUJFWSA-N 2 0 291.399 -0.013 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)Cc1ccon1 ZINC000261747737 220244223 /nfs/dbraw/zinc/24/42/23/220244223.db2.gz LLYBAWSWIMPBEW-CYBMUJFWSA-N 2 0 294.403 -0.072 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)Cc1ccon1 ZINC000261810879 220245884 /nfs/dbraw/zinc/24/58/84/220245884.db2.gz SLIPXDWAEXPYFF-CYBMUJFWSA-N 2 0 292.387 -0.318 20 30 CBEDRP C[NH+]=C(NCC(=O)N(C)C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000262002167 220247823 /nfs/dbraw/zinc/24/78/23/220247823.db2.gz USHMVRVMLXJOHB-ZYHUDNBSSA-N 2 0 281.404 -0.278 20 30 CBEDRP C[C@H]1CN(C(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)CCO1 ZINC000262455692 220251947 /nfs/dbraw/zinc/25/19/47/220251947.db2.gz LANLENOFGGAZRW-RYUDHWBXSA-N 2 0 267.377 -0.978 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnn(C)n1 ZINC000263127975 220260954 /nfs/dbraw/zinc/26/09/54/220260954.db2.gz FYMVBZQRSZWREP-LLVKDONJSA-N 2 0 265.365 -0.296 20 30 CBEDRP C[NH+]=C(NC[C@@H]1COCCO1)N[C@H]1CCN(C2CC2)C1 ZINC000262773487 220258341 /nfs/dbraw/zinc/25/83/41/220258341.db2.gz KHZQUQAEMNXEQR-WCQYABFASA-N 2 0 282.388 -0.197 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303884374 220325977 /nfs/dbraw/zinc/32/59/77/220325977.db2.gz MSNITUMLRWZCFK-LBPRGKRZSA-N 2 0 271.409 -0.437 20 30 CBEDRP C=CCN1CC[C@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647836188 419667811 /nfs/dbraw/zinc/66/78/11/419667811.db2.gz JOLDAMJWEWUOFG-ZDUSSCGKSA-N 2 0 266.389 -0.390 20 30 CBEDRP C=CCN1CC[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)C1=O ZINC000647836187 419669307 /nfs/dbraw/zinc/66/93/07/419669307.db2.gz JOLDAMJWEWUOFG-CYBMUJFWSA-N 2 0 266.389 -0.390 20 30 CBEDRP CC[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262816364 275802720 /nfs/dbraw/zinc/80/27/20/275802720.db2.gz WTCPPMYCUSMEES-KGLIPLIRSA-N 2 0 295.431 -0.280 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000262011839 276170713 /nfs/dbraw/zinc/17/07/13/276170713.db2.gz UJMLPTQVGAPWKU-VXGBXAGGSA-N 2 0 270.377 -0.210 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cncn1 ZINC000264149555 276184274 /nfs/dbraw/zinc/18/42/74/276184274.db2.gz YVPJXCUFYSNGOP-NSHDSACASA-N 2 0 265.365 -0.333 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262758927 276371194 /nfs/dbraw/zinc/37/11/94/276371194.db2.gz FFZOBYVJSJSYBX-KGLIPLIRSA-N 3 0 294.447 -0.625 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262728027 276371395 /nfs/dbraw/zinc/37/13/95/276371395.db2.gz HPNUVACYOXJBAB-SCRDCRAPSA-N 2 0 284.404 -0.085 20 30 CBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262506264 277102261 /nfs/dbraw/zinc/10/22/61/277102261.db2.gz BJTWWMFUTRLXSU-LLVKDONJSA-N 2 0 271.434 -0.404 20 30 CBEDRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000332659325 290166288 /nfs/dbraw/zinc/16/62/88/290166288.db2.gz AXNGAMURSGCMQU-XQQFMLRXSA-N 2 0 280.372 -0.061 20 30 CBEDRP CN(C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000564978184 327308958 /nfs/dbraw/zinc/30/89/58/327308958.db2.gz KOIQPJLNJSBATN-KGLIPLIRSA-N 2 0 293.367 -0.190 20 30 CBEDRP C=CCC[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000583203741 329363265 /nfs/dbraw/zinc/36/32/65/329363265.db2.gz JGLISVANIPAOOF-UONOGXRCSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CCN1CCN(C(=O)CN(C)C2CC(O)C2)CC1 ZINC000490973111 332134731 /nfs/dbraw/zinc/13/47/31/332134731.db2.gz JFIOLMHQIVANJW-UHFFFAOYSA-N 2 0 265.357 -0.781 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000491339901 332193364 /nfs/dbraw/zinc/19/33/64/332193364.db2.gz UBFYDMLMRQGDQG-AWEZNQCLSA-N 2 0 282.388 -0.693 20 30 CBEDRP C#CCNC(=O)CC[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000491618949 332245224 /nfs/dbraw/zinc/24/52/24/332245224.db2.gz AQZPBOVJONTLDN-CYBMUJFWSA-N 2 0 266.389 -0.649 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000491733074 332314245 /nfs/dbraw/zinc/31/42/45/332314245.db2.gz BDAUNVQPJXHLCX-OLZOCXBDSA-N 2 0 264.373 -0.055 20 30 CBEDRP CN(CCC#N)C[C@H](O)CNC[C@H](O)C[NH+]1CCCC1 ZINC000517567893 333102756 /nfs/dbraw/zinc/10/27/56/333102756.db2.gz WZUCYHGFUIODNU-KGLIPLIRSA-N 2 0 284.404 -0.761 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000153060544 334550193 /nfs/dbraw/zinc/55/01/93/334550193.db2.gz AHNHKTQGYDLPNR-OAHLLOKOSA-N 2 0 281.400 -0.240 20 30 CBEDRP C=CC[C@H](CO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582003723 336189412 /nfs/dbraw/zinc/18/94/12/336189412.db2.gz WDERSHUMAXEXOQ-KBPBESRZSA-N 2 0 271.405 -0.631 20 30 CBEDRP C#CCNC(=O)CC[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000819054701 582525447 /nfs/dbraw/zinc/52/54/47/582525447.db2.gz RXJTVZDQOHKGQV-CQSZACIVSA-N 2 0 292.427 -0.116 20 30 CBEDRP C#CCSCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819096295 582526863 /nfs/dbraw/zinc/52/68/63/582526863.db2.gz LVWZQMZLNARVER-CYBMUJFWSA-N 2 0 271.430 -0.449 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000834483887 583124295 /nfs/dbraw/zinc/12/42/95/583124295.db2.gz AVDQXSRJTVBLJP-KBVBSXBZSA-N 2 0 274.328 -0.672 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485627 583125101 /nfs/dbraw/zinc/12/51/01/583125101.db2.gz ZNORFALJRPQDDH-RWMBFGLXSA-N 2 0 258.325 -0.216 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000843459267 583221713 /nfs/dbraw/zinc/22/17/13/583221713.db2.gz DDZCPFFUBSQFLY-YUMQZZPRSA-N 2 0 265.342 -0.514 20 30 CBEDRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000846313230 583358809 /nfs/dbraw/zinc/35/88/09/583358809.db2.gz LAFGJJDIWABZJK-JQWIXIFHSA-N 2 0 291.359 -0.322 20 30 CBEDRP C#CCC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000846837989 583389014 /nfs/dbraw/zinc/38/90/14/583389014.db2.gz UBYRBZDZCIDHRJ-CQSZACIVSA-N 2 0 253.390 -0.060 20 30 CBEDRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852800202 583553547 /nfs/dbraw/zinc/55/35/47/583553547.db2.gz MROXCHHREXMXRT-DGCLKSJQSA-N 2 0 265.357 -0.436 20 30 CBEDRP COCC[N@H+](C)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852863851 583563743 /nfs/dbraw/zinc/56/37/43/583563743.db2.gz JOUOUFVWTSBHLJ-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000852873184 583565592 /nfs/dbraw/zinc/56/55/92/583565592.db2.gz QKSHGEWAJWWAEE-AWEZNQCLSA-N 2 0 292.427 -0.259 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000852914334 583574015 /nfs/dbraw/zinc/57/40/15/583574015.db2.gz SWYHZASBAQUNLO-OAHLLOKOSA-N 2 0 290.411 -0.505 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000852998082 583576772 /nfs/dbraw/zinc/57/67/72/583576772.db2.gz MZUHOOULTHASQT-UHFFFAOYSA-N 2 0 263.341 -0.810 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854353288 583600181 /nfs/dbraw/zinc/60/01/81/583600181.db2.gz VTYNXFMVQBNHIL-ZDUSSCGKSA-N 2 0 266.389 -0.390 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854353287 583600213 /nfs/dbraw/zinc/60/02/13/583600213.db2.gz VTYNXFMVQBNHIL-CYBMUJFWSA-N 2 0 266.389 -0.390 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N(CC[NH+](C)C)CC(=O)N(C)C ZINC000855699354 583647824 /nfs/dbraw/zinc/64/78/24/583647824.db2.gz ZDVOIGATILRWJT-UHFFFAOYSA-N 2 0 284.404 -0.417 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713586 583780527 /nfs/dbraw/zinc/78/05/27/583780527.db2.gz DFFKNJWVGFHNBX-OLZOCXBDSA-N 2 0 267.373 -0.228 20 30 CBEDRP C#CC[C@@H](COC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000863588514 583847984 /nfs/dbraw/zinc/84/79/84/583847984.db2.gz BGQYXTPTUDODAS-KBPBESRZSA-N 2 0 269.389 -0.777 20 30 CBEDRP C=C1[C@@H](C(=O)NCC[NH+](C)C)[C@@H]1C(=O)NCC[NH+](C)C ZINC000866116955 583916535 /nfs/dbraw/zinc/91/65/35/583916535.db2.gz XHRQYKDWBRJNQT-VXGBXAGGSA-N 2 0 282.388 -0.856 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000876783388 584144541 /nfs/dbraw/zinc/14/45/41/584144541.db2.gz AKHBYTIHACLSID-WDEREUQCSA-N 2 0 274.796 -0.182 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869029 584151286 /nfs/dbraw/zinc/15/12/86/584151286.db2.gz BCUJCORVVPKJIS-NXEZZACHSA-N 2 0 261.753 -0.049 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876972505 584159108 /nfs/dbraw/zinc/15/91/08/584159108.db2.gz LDCJKHWCENPEBP-NEPJUHHUSA-N 2 0 286.807 -0.038 20 30 CBEDRP C#CCN1CCC[C@H](NC(=O)NCCN2CCOCC2)C1 ZINC000884040068 584357034 /nfs/dbraw/zinc/35/70/34/584357034.db2.gz IWNSWFSXBJAZLG-AWEZNQCLSA-N 2 0 294.399 -0.285 20 30 CBEDRP C[NH+]1CCC(C#N)(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900607539 584815978 /nfs/dbraw/zinc/81/59/78/584815978.db2.gz DNJCBKMUVZLTGM-HNNXBMFYSA-N 2 0 294.399 -0.063 20 30 CBEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958268716 613286933 /nfs/dbraw/zinc/28/69/33/613286933.db2.gz XHFCJJGLOYYGDJ-DZGCQCFKSA-N 2 0 298.346 -0.010 20 30 CBEDRP [NH2+]=C(NCCCn1ccnn1)NCCCN1CCOCC1 ZINC000181493214 656092016 /nfs/dbraw/zinc/09/20/16/656092016.db2.gz FGGBGLIPMHQPOP-UHFFFAOYSA-N 2 0 295.391 -0.705 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@@]1(C)CCCO1 ZINC000261739462 656125758 /nfs/dbraw/zinc/12/57/58/656125758.db2.gz KMFQHKJXPKEXBU-UKRRQHHQSA-N 2 0 297.447 -0.034 20 30 CBEDRP C[C@H]1C[NH+]=C(NCC(=O)NCC[NH+]2CCCCCC2)N1 ZINC000262643832 656133553 /nfs/dbraw/zinc/13/35/53/656133553.db2.gz MFRBEIJMDQICOZ-LBPRGKRZSA-N 2 0 281.404 -0.084 20 30 CBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC(C)C ZINC000262774700 656133561 /nfs/dbraw/zinc/13/35/61/656133561.db2.gz IZZPZGOQSSJQQN-LBPRGKRZSA-N 2 0 253.394 -0.050 20 30 CBEDRP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000303371358 656138805 /nfs/dbraw/zinc/13/88/05/656138805.db2.gz KXKZDAZVTUCENA-KBPBESRZSA-N 2 0 297.447 -0.047 20 30 CBEDRP COCCNC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303385975 656138979 /nfs/dbraw/zinc/13/89/79/656138979.db2.gz WDQGCBOERHQQTQ-GFCCVEGCSA-N 2 0 271.409 -0.579 20 30 CBEDRP CCCNC(=O)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000303775078 656139789 /nfs/dbraw/zinc/13/97/89/656139789.db2.gz GPGTUFQMGMDNMR-LLVKDONJSA-N 2 0 269.393 -0.099 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@H+](C)C1 ZINC000303882724 656139829 /nfs/dbraw/zinc/13/98/29/656139829.db2.gz IJAFAFIWNKFGBU-ZDUSSCGKSA-N 2 0 283.420 -0.565 20 30 CBEDRP C[NH+](C)[C@@H](CNC(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000303879137 656139844 /nfs/dbraw/zinc/13/98/44/656139844.db2.gz JOGGBPRMXHCJIW-AWEZNQCLSA-N 2 0 297.447 -0.047 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN(C)CCOC ZINC000303979842 656140091 /nfs/dbraw/zinc/14/00/91/656140091.db2.gz NPAZDRWKORFBOB-CYBMUJFWSA-N 2 0 285.436 -0.047 20 30 CBEDRP C#CCN1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905462267 656358568 /nfs/dbraw/zinc/35/85/68/656358568.db2.gz SXRRWFZEMHQSCY-JKSUJKDBSA-N 2 0 294.443 -0.718 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908437496 656726536 /nfs/dbraw/zinc/72/65/36/656726536.db2.gz PFIYMVGUGINSPH-OAHLLOKOSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC000911693823 657105255 /nfs/dbraw/zinc/10/52/55/657105255.db2.gz OSUZJJREZJIWHM-GFCCVEGCSA-N 2 0 254.378 -0.309 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000912054947 657189172 /nfs/dbraw/zinc/18/91/72/657189172.db2.gz VLWKBKPTEXOUNC-QWHCGFSZSA-N 2 0 267.373 -0.228 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000913524021 657492601 /nfs/dbraw/zinc/49/26/01/657492601.db2.gz WQRVJJVDPZIZEN-QWHCGFSZSA-N 2 0 265.357 -0.469 20 30 CBEDRP C=CCCn1cc(CN2CC[NH2+]CC[NH2+]CC2)nn1 ZINC000923460514 658290539 /nfs/dbraw/zinc/29/05/39/658290539.db2.gz UHFBNIHPRCFGGE-UHFFFAOYSA-N 2 0 264.377 -0.151 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCO)[C@H]2C)CC1 ZINC000987569818 659511950 /nfs/dbraw/zinc/51/19/50/659511950.db2.gz IRNXGWHBGKBVQS-UKRRQHHQSA-N 2 0 293.411 -0.097 20 30 CBEDRP Cc1ncc(C#N)c(NCCN2CCC([NH3+])CC2)n1 ZINC000721961162 790785748 /nfs/dbraw/zinc/78/57/48/790785748.db2.gz LWANYKIEECWNJZ-UHFFFAOYSA-N 2 0 260.345 -0.086 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001022121604 790992253 /nfs/dbraw/zinc/99/22/53/790992253.db2.gz GTZASFHZCATQBJ-CRWXNKLISA-N 2 0 277.368 -0.280 20 30 CBEDRP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175254 805848497 /nfs/dbraw/zinc/84/84/97/805848497.db2.gz XLJDUGYAWMGVFG-JHJVBQTASA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2O)CC1 ZINC001078227447 805858849 /nfs/dbraw/zinc/85/88/49/805858849.db2.gz ZSYZXPUUSDKNEN-ZIAGYGMSSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2O)CC1 ZINC001078227120 805859196 /nfs/dbraw/zinc/85/91/96/805859196.db2.gz JVBJKSUKGZYIJF-HUUCEWRRSA-N 2 0 293.411 -0.099 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900261 814926065 /nfs/dbraw/zinc/92/60/65/814926065.db2.gz KVLCMZAWQPWERA-OLZOCXBDSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900262 814926848 /nfs/dbraw/zinc/92/68/48/814926848.db2.gz KVLCMZAWQPWERA-QWHCGFSZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001083781917 806432283 /nfs/dbraw/zinc/43/22/83/806432283.db2.gz ZZTQINJZKULLTB-MJBXVCDLSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC)C[C@@H]2O)CC1 ZINC001084090442 806488669 /nfs/dbraw/zinc/48/86/69/806488669.db2.gz ZSYZXPUUSDKNEN-KGLIPLIRSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001022838333 798843047 /nfs/dbraw/zinc/84/30/47/798843047.db2.gz LGYJMUOVMNYRKI-OKILXGFUSA-N 2 0 289.383 -0.072 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797886 798977167 /nfs/dbraw/zinc/97/71/67/798977167.db2.gz YXSYBELVTCWJLW-QMIVOQANSA-N 2 0 289.379 -0.471 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CCO)CC1 ZINC001028334045 799124543 /nfs/dbraw/zinc/12/45/43/799124543.db2.gz VIBCHTMEKBNRHY-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688859 799534192 /nfs/dbraw/zinc/53/41/92/799534192.db2.gz MRHOECXDNNEISV-LSDHHAIUSA-N 2 0 291.395 -0.079 20 30 CBEDRP C=CCCN1CCO[C@@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325865 799890985 /nfs/dbraw/zinc/89/09/85/799890985.db2.gz DLJAWXASIAQJTE-KBPBESRZSA-N 2 0 297.399 -0.290 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2C[C@H]3C)CC1 ZINC001124033848 813394426 /nfs/dbraw/zinc/39/44/26/813394426.db2.gz WVGJAAOCPHUTGM-HIFRSBDPSA-N 2 0 290.411 -0.412 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129357527 813837809 /nfs/dbraw/zinc/83/78/09/813837809.db2.gz NSDQJNVNTWSFQM-UHFFFAOYSA-N 2 0 267.373 -0.174 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415804 814249734 /nfs/dbraw/zinc/24/97/34/814249734.db2.gz PDVLNPMZIORQKG-CYBMUJFWSA-N 2 0 269.389 -0.072 20 30 CBEDRP CCC[N@H+](C)CC(=O)NCC[NH2+]CC#CCOC ZINC001148638746 814954289 /nfs/dbraw/zinc/95/42/89/814954289.db2.gz PXDVXHPMTBJKFB-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001321739743 803808335 /nfs/dbraw/zinc/80/83/35/803808335.db2.gz KJZOFAUPYPIACZ-CHWSQXEVSA-N 2 0 267.373 -0.318 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001151058182 815054142 /nfs/dbraw/zinc/05/41/42/815054142.db2.gz XCWGPOYEFPYOCV-STQMWFEESA-N 2 0 294.399 -0.569 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151072930 815055999 /nfs/dbraw/zinc/05/59/99/815055999.db2.gz AODNMPXJRFELOV-VXGBXAGGSA-N 2 0 282.388 -0.665 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001151097197 815060816 /nfs/dbraw/zinc/06/08/16/815060816.db2.gz LBHDITIGDZRTGF-ZDUSSCGKSA-N 2 0 294.399 -0.425 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151152351 815064648 /nfs/dbraw/zinc/06/46/48/815064648.db2.gz PXZJGWBIFPPGAQ-LBPRGKRZSA-N 2 0 255.362 -0.154 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151158550 815064743 /nfs/dbraw/zinc/06/47/43/815064743.db2.gz PITNJEYUFMFFHL-ZDUSSCGKSA-N 2 0 267.373 -0.316 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151152066 815065072 /nfs/dbraw/zinc/06/50/72/815065072.db2.gz FBRXMHPZAIHWNT-LBPRGKRZSA-N 2 0 253.346 -0.706 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](CC)C(N)=O)CC1 ZINC001152330709 815115231 /nfs/dbraw/zinc/11/52/31/815115231.db2.gz TUDYCLCXRKSTQT-CYBMUJFWSA-N 2 0 294.399 -0.699 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155821868 815315126 /nfs/dbraw/zinc/31/51/26/815315126.db2.gz DKSXVTFQTZJLTM-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090544544 810520382 /nfs/dbraw/zinc/52/03/82/810520382.db2.gz WABIFIIPGDZPFP-LSDHHAIUSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537799 810521395 /nfs/dbraw/zinc/52/13/95/810521395.db2.gz NZIZTEDBTOQFRR-LSDHHAIUSA-N 2 0 293.411 -0.097 20 30 CBEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730082 810560111 /nfs/dbraw/zinc/56/01/11/810560111.db2.gz FWPKHKLFAHUHFM-OLZOCXBDSA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814747 810568659 /nfs/dbraw/zinc/56/86/59/810568659.db2.gz LHMFDFQBDIQVND-KBPBESRZSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@@H]2O)CC1 ZINC001090832024 810571449 /nfs/dbraw/zinc/57/14/49/810571449.db2.gz XVFVFVKOFQXKJO-GJZGRUSLSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2CC([NH2+]CCO)C2)CC1 ZINC001091377611 810604669 /nfs/dbraw/zinc/60/46/69/810604669.db2.gz PNLMLCXAPAGFHB-UHFFFAOYSA-N 2 0 293.411 -0.192 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971302 810980562 /nfs/dbraw/zinc/98/05/62/810980562.db2.gz FIBWXJIPUZNQAW-ZIAGYGMSSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100041402 811000726 /nfs/dbraw/zinc/00/07/26/811000726.db2.gz IZDIDAQVTQXUIV-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048795 811004487 /nfs/dbraw/zinc/00/44/87/811004487.db2.gz RCHKPLAWJMHTGQ-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074722 811014865 /nfs/dbraw/zinc/01/48/65/811014865.db2.gz RHPDTLAVOSZIRF-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074838 811014956 /nfs/dbraw/zinc/01/49/56/811014956.db2.gz UDLHEPBYGHALSH-STQMWFEESA-N 2 0 285.388 -0.698 20 30 CBEDRP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100081466 811017297 /nfs/dbraw/zinc/01/72/97/811017297.db2.gz SUBRYPNSSCWDEL-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CN(C)CCC#N ZINC001118087741 812468513 /nfs/dbraw/zinc/46/85/13/812468513.db2.gz FEIXKWHMKJYZDL-GJZGRUSLSA-N 2 0 297.447 -0.582 20 30 CBEDRP C=CCOCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001120467189 812971068 /nfs/dbraw/zinc/97/10/68/812971068.db2.gz IQBYAFPONOKJBJ-CQSZACIVSA-N 2 0 271.405 -0.223 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001121902671 813087241 /nfs/dbraw/zinc/08/72/41/813087241.db2.gz BYHDSDRJKALJJK-CYBMUJFWSA-N 2 0 267.373 -0.318 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC001122198682 813132096 /nfs/dbraw/zinc/13/20/96/813132096.db2.gz MERZYLUBGKIDOR-NSHDSACASA-N 2 0 279.340 -0.989 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1COC ZINC001122330659 813148678 /nfs/dbraw/zinc/14/86/78/813148678.db2.gz GFBALUFFSZOFGK-VHSXEESVSA-N 2 0 261.753 -0.097 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127065788 813710042 /nfs/dbraw/zinc/71/00/42/813710042.db2.gz FIWSXXRYECHDDN-CYBMUJFWSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127474196 813731932 /nfs/dbraw/zinc/73/19/32/813731932.db2.gz JAQKQQVAEUFMOF-CYBMUJFWSA-N 2 0 294.399 -0.664 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001127481298 813733371 /nfs/dbraw/zinc/73/33/71/813733371.db2.gz RAWSPAUHAIUXSZ-CQSZACIVSA-N 2 0 279.384 -0.316 20 30 CBEDRP C=CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127576865 813734906 /nfs/dbraw/zinc/73/49/06/813734906.db2.gz ZPLCZHBGBLAQIH-UHFFFAOYSA-N 2 0 265.361 -0.050 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784832 813748152 /nfs/dbraw/zinc/74/81/52/813748152.db2.gz BSQIXABQJRSGIS-QWHCGFSZSA-N 2 0 265.357 -0.421 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780534 813748361 /nfs/dbraw/zinc/74/83/61/813748361.db2.gz ZQAHHKLUYRJMCV-KGLIPLIRSA-N 2 0 295.383 -0.795 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779279 813748532 /nfs/dbraw/zinc/74/85/32/813748532.db2.gz KPIJFPKLONUYFB-VXGBXAGGSA-N 2 0 251.330 -0.811 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785073 813749484 /nfs/dbraw/zinc/74/94/84/813749484.db2.gz FKCXYYLBYNWCOY-OLZOCXBDSA-N 2 0 265.357 -0.421 20 30 CBEDRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128774897 813796581 /nfs/dbraw/zinc/79/65/81/813796581.db2.gz YGMAWTDTYHXANY-LBPRGKRZSA-N 2 0 295.387 -0.794 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449501 813845227 /nfs/dbraw/zinc/84/52/27/813845227.db2.gz NOXAWMOMPMZVKT-YPMHNXCESA-N 2 0 294.399 -0.830 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535186 813850722 /nfs/dbraw/zinc/85/07/22/813850722.db2.gz KVTZXNJNYLQYJO-GFCCVEGCSA-N 2 0 296.415 -0.133 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947220 813882204 /nfs/dbraw/zinc/88/22/04/813882204.db2.gz PDVLNPMZIORQKG-ZDUSSCGKSA-N 2 0 269.389 -0.072 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200097 813916602 /nfs/dbraw/zinc/91/66/02/813916602.db2.gz DHOJTZDXSDQTPX-VXGBXAGGSA-N 2 0 284.404 -0.277 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200096 813916943 /nfs/dbraw/zinc/91/69/43/813916943.db2.gz DHOJTZDXSDQTPX-NWDGAFQWSA-N 2 0 284.404 -0.277 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130306271 813927075 /nfs/dbraw/zinc/92/70/75/813927075.db2.gz UOKZGFZSTDIDOE-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130306272 813928087 /nfs/dbraw/zinc/92/80/87/813928087.db2.gz UOKZGFZSTDIDOE-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP CC[N@H+](C)C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130419041 813939500 /nfs/dbraw/zinc/93/95/00/813939500.db2.gz JFHXNXIZZLQOFI-UHFFFAOYSA-N 2 0 283.376 -0.938 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132848532 814193786 /nfs/dbraw/zinc/19/37/86/814193786.db2.gz KEEZESKLCNGMKH-ZDUSSCGKSA-N 2 0 267.373 -0.175 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051943 814211917 /nfs/dbraw/zinc/21/19/17/814211917.db2.gz VYXWFLBDEOKKAV-LBPRGKRZSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051394 814212855 /nfs/dbraw/zinc/21/28/55/814212855.db2.gz FNNIFRUTVJQTPF-LBPRGKRZSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133297406 814239327 /nfs/dbraw/zinc/23/93/27/814239327.db2.gz NDVSRRLHYIRUNQ-LBPRGKRZSA-N 2 0 282.388 -0.569 20 30 CBEDRP CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+](CC)CC ZINC001133684765 814287642 /nfs/dbraw/zinc/28/76/42/814287642.db2.gz MTHOOGBJHTYIHM-GFCCVEGCSA-N 2 0 297.403 -0.548 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133854064 814311926 /nfs/dbraw/zinc/31/19/26/814311926.db2.gz WLAQLVFJPHCMOJ-GFCCVEGCSA-N 2 0 282.388 -0.664 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135371835 814470239 /nfs/dbraw/zinc/47/02/39/814470239.db2.gz JLZZMTCKUCWOPT-OLZOCXBDSA-N 2 0 296.415 -0.440 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711036 814843370 /nfs/dbraw/zinc/84/33/70/814843370.db2.gz NLQPLKJVNKQTQH-LBPRGKRZSA-N 2 0 284.404 -0.275 20 30 CBEDRP C=CCN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160432216 815621048 /nfs/dbraw/zinc/62/10/48/815621048.db2.gz PINVDQFDXFEHII-LBPRGKRZSA-N 2 0 254.378 -0.227 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001160750284 815667341 /nfs/dbraw/zinc/66/73/41/815667341.db2.gz GQVZTDXZZBQTRQ-TZMCWYRMSA-N 2 0 275.356 -0.159 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCO[C@@H](C#N)C1 ZINC001160878875 815683905 /nfs/dbraw/zinc/68/39/05/815683905.db2.gz MIQTWWXPXWLUNO-QWRGUYRKSA-N 2 0 254.334 -0.546 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161041058 815703669 /nfs/dbraw/zinc/70/36/69/815703669.db2.gz DYEWMJZXADABFZ-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP C[C@H](C#N)N(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161144588 815720784 /nfs/dbraw/zinc/72/07/84/815720784.db2.gz NRONSSWFVJGMIF-KOLCDFICSA-N 2 0 253.350 -0.893 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H](N2CCC([NH3+])CC2)C1 ZINC001161379398 815748390 /nfs/dbraw/zinc/74/83/90/815748390.db2.gz OOMWHCQDUHDFIP-OCCSQVGLSA-N 2 0 264.373 -0.639 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@]2(C(=O)OC)CC[NH2+][C@@H]2C1 ZINC001161479807 815759006 /nfs/dbraw/zinc/75/90/06/815759006.db2.gz MCXMUWXKRQHXER-DDTOSNHZSA-N 2 0 279.340 -0.909 20 30 CBEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCC[NH3+])C1 ZINC001161537062 815767254 /nfs/dbraw/zinc/76/72/54/815767254.db2.gz OZJDIXHBDDKQEG-NEPJUHHUSA-N 2 0 298.387 -0.044 20 30 CBEDRP N#CCc1cc(N[C@@]23CC[NH2+][C@@H]2CC(=O)N3)cc[nH+]1 ZINC001163252168 815873898 /nfs/dbraw/zinc/87/38/98/815873898.db2.gz FWGPHPYSJYCFNZ-DGCLKSJQSA-N 2 0 257.297 -0.440 20 30 CBEDRP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317277819 816956019 /nfs/dbraw/zinc/95/60/19/816956019.db2.gz AGAMHLBDQNISQX-WCQYABFASA-N 2 0 297.403 -0.693 20 30 CBEDRP c1nncn1[NH+]=C1CC[NH+](CCN2CCOCC2)CC1 ZINC001318341638 817101736 /nfs/dbraw/zinc/10/17/36/817101736.db2.gz WLMVOGALQACUQX-UHFFFAOYSA-N 2 0 278.360 -0.090 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320217525 817295857 /nfs/dbraw/zinc/29/58/57/817295857.db2.gz OTBQOPJHLYEDMO-STQMWFEESA-N 2 0 267.373 -0.441 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001320217523 817296288 /nfs/dbraw/zinc/29/62/88/817296288.db2.gz OTBQOPJHLYEDMO-QWHCGFSZSA-N 2 0 267.373 -0.441 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001320227676 817298141 /nfs/dbraw/zinc/29/81/41/817298141.db2.gz SQTUBUDYXKQYQW-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320227670 817298746 /nfs/dbraw/zinc/29/87/46/817298746.db2.gz SQTUBUDYXKQYQW-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001320236552 817300965 /nfs/dbraw/zinc/30/09/65/817300965.db2.gz ALWMYXONAILQLP-AWEZNQCLSA-N 2 0 293.411 -0.048 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320295410 817317676 /nfs/dbraw/zinc/31/76/76/817317676.db2.gz JBIBCCXHHZDQMK-NEPJUHHUSA-N 2 0 253.346 -0.972 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788550 819983712 /nfs/dbraw/zinc/98/37/12/819983712.db2.gz QJEBDKRHNIWJSO-GFCCVEGCSA-N 2 0 284.404 -0.275 20 30 CBEDRP N#CCc1cc(NCCOCCOCC[NH3+])cc[nH+]1 ZINC001170512560 820298814 /nfs/dbraw/zinc/29/88/14/820298814.db2.gz GTDHUIAGKGLROW-UHFFFAOYSA-N 2 0 264.329 -0.027 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204915 820348773 /nfs/dbraw/zinc/34/87/73/820348773.db2.gz HYNIEQODZXOLFE-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP C=CCOCC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171204518 820349406 /nfs/dbraw/zinc/34/94/06/820349406.db2.gz BMBWQQBFUGRAAP-UHFFFAOYSA-N 2 0 287.404 -0.137 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072493 820438263 /nfs/dbraw/zinc/43/82/63/820438263.db2.gz WKLBUGWFIVLEMB-GFCCVEGCSA-N 2 0 282.388 -0.664 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001176168380 820442427 /nfs/dbraw/zinc/44/24/27/820442427.db2.gz CTDQUCBTNMTAOO-ZDUSSCGKSA-N 2 0 267.373 -0.316 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCCO)CC1 ZINC001176925949 820478869 /nfs/dbraw/zinc/47/88/69/820478869.db2.gz DYJXPXCHZVLWJV-UHFFFAOYSA-N 2 0 281.400 -0.190 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176986012 820485097 /nfs/dbraw/zinc/48/50/97/820485097.db2.gz AZMXBNMMQHDMSW-ZDUSSCGKSA-N 2 0 296.415 -0.440 20 30 CBEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)[C@H]1C ZINC001178417798 820581096 /nfs/dbraw/zinc/58/10/96/820581096.db2.gz DQAHKFZQLKUSDM-MELADBBJSA-N 2 0 279.384 -0.081 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472350 820630733 /nfs/dbraw/zinc/63/07/33/820630733.db2.gz JZNMLEZCUUBOPS-STQMWFEESA-N 2 0 294.399 -0.734 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185385574 821126770 /nfs/dbraw/zinc/12/67/70/821126770.db2.gz SKKLZPGHUCOJEG-GFCCVEGCSA-N 2 0 282.388 -0.569 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001279731260 828336205 /nfs/dbraw/zinc/33/62/05/828336205.db2.gz NYVKRBRGBPBZJC-CQSZACIVSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001279746583 828336271 /nfs/dbraw/zinc/33/62/71/828336271.db2.gz NCGNZYHOGLLDCJ-ZDUSSCGKSA-N 2 0 267.373 -0.486 20 30 CBEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001280630304 828368815 /nfs/dbraw/zinc/36/88/15/828368815.db2.gz SMPJIAIWEWYVAS-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001280681649 828371012 /nfs/dbraw/zinc/37/10/12/828371012.db2.gz KIVNDDDGGZPHIA-CYBMUJFWSA-N 2 0 267.373 -0.223 20 30 CBEDRP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187284252 822263540 /nfs/dbraw/zinc/26/35/40/822263540.db2.gz LZXLKUOAJMGYQW-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187834775 822298766 /nfs/dbraw/zinc/29/87/66/822298766.db2.gz HKIOSRGZBHOXRT-CYBMUJFWSA-N 2 0 292.383 -0.978 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCO)CC1 ZINC001282241384 828439214 /nfs/dbraw/zinc/43/92/14/828439214.db2.gz KNXKDSOBLWILTD-STQMWFEESA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001283773455 828546820 /nfs/dbraw/zinc/54/68/20/828546820.db2.gz ZXDONTRIFOVMSN-CQSZACIVSA-N 2 0 293.411 -0.048 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001284457849 828598978 /nfs/dbraw/zinc/59/89/78/828598978.db2.gz XXLKUTANLUNGNG-RYUDHWBXSA-N 2 0 257.378 -0.079 20 30 CBEDRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCC#N)CC1 ZINC001195235499 824107331 /nfs/dbraw/zinc/10/73/31/824107331.db2.gz ZEZIGRMXUQZBSD-UHFFFAOYSA-N 2 0 281.404 -0.368 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195701919 824128166 /nfs/dbraw/zinc/12/81/66/824128166.db2.gz TYSOGCWDRSICGR-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057544 824176982 /nfs/dbraw/zinc/17/69/82/824176982.db2.gz DDFFHQBBBOGVTK-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@H](OC)C1 ZINC001213728189 824515372 /nfs/dbraw/zinc/51/53/72/824515372.db2.gz DQZBCGAELBDHPZ-ZIAGYGMSSA-N 2 0 299.415 -0.044 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832286 824562031 /nfs/dbraw/zinc/56/20/31/824562031.db2.gz NNPWZUWUICBYJV-OFTGVCEQSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218199885 824564113 /nfs/dbraw/zinc/56/41/13/824564113.db2.gz CNHRKNXCAWXVGT-KGYLQXTDSA-N 2 0 274.324 -0.468 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1[NH2+]CC[C@@H]1O)C[NH2+]CC2 ZINC001218552878 824589792 /nfs/dbraw/zinc/58/97/92/824589792.db2.gz LRLDOBGKXONORM-ONGXEEELSA-N 2 0 292.364 -0.073 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)n1nc(N)c(C#N)c1N ZINC001218658862 824618704 /nfs/dbraw/zinc/61/87/04/824618704.db2.gz BAQVULARYLJNHS-QMMMGPOBSA-N 2 0 265.321 -0.724 20 30 CBEDRP Cn1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C#N)n1 ZINC001218667801 824619461 /nfs/dbraw/zinc/61/94/61/824619461.db2.gz KVBYIUSVWUFHQQ-ZETCQYMHSA-N 2 0 268.346 -0.751 20 30 CBEDRP C=CCCCCC[C@H]([NH3+])C(=O)N[C@@H]1C[NH2+]C[C@H]1O ZINC001219711438 824885575 /nfs/dbraw/zinc/88/55/75/824885575.db2.gz CPODVLCPSURZCK-QJPTWQEYSA-N 2 0 255.362 -0.101 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@@H]1COC[C@@H]1[NH3+] ZINC001219720839 824886524 /nfs/dbraw/zinc/88/65/24/824886524.db2.gz SLWXSXQEIBOBFH-RWMBFGLXSA-N 2 0 274.324 -0.730 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743547 824890026 /nfs/dbraw/zinc/89/00/26/824890026.db2.gz GQVKJHHZBHDAES-AAEUAGOBSA-N 2 0 265.357 -0.246 20 30 CBEDRP CC#CCN1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219816050 824897961 /nfs/dbraw/zinc/89/79/61/824897961.db2.gz WKZXYZRTCVJEQL-KGLIPLIRSA-N 2 0 279.384 -0.345 20 30 CBEDRP [NH3+]CCSC[C@H]([NH3+])C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343330 825019991 /nfs/dbraw/zinc/01/99/91/825019991.db2.gz JVTTVBQIQPKDCU-VWYTZYABSA-N 2 0 285.291 -0.233 20 30 CBEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220499151 825049597 /nfs/dbraw/zinc/04/95/97/825049597.db2.gz SSIZSCJNIGFHBU-QWRGUYRKSA-N 2 0 284.360 -0.383 20 30 CBEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220498435 825050116 /nfs/dbraw/zinc/05/01/16/825050116.db2.gz GRPNPPBVKQCVDD-GHMZBOCLSA-N 2 0 294.355 -0.568 20 30 CBEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220499152 825050541 /nfs/dbraw/zinc/05/05/41/825050541.db2.gz SSIZSCJNIGFHBU-WDEREUQCSA-N 2 0 284.360 -0.383 20 30 CBEDRP CN(CC[NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001220517281 825053291 /nfs/dbraw/zinc/05/32/91/825053291.db2.gz DZVVJFBGPLZZCT-AWEZNQCLSA-N 2 0 289.383 -0.565 20 30 CBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)OCC ZINC001220570825 825063632 /nfs/dbraw/zinc/06/36/32/825063632.db2.gz AUHTZOZHTPNTNS-GIPNMCIBSA-N 2 0 269.345 -0.323 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@@H]1CCN2 ZINC001220868758 825117112 /nfs/dbraw/zinc/11/71/12/825117112.db2.gz RXCLEDMTXLZGDQ-YDHLFZDLSA-N 2 0 278.400 -0.296 20 30 CBEDRP CC[C@H](CC#N)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220898842 825122953 /nfs/dbraw/zinc/12/29/53/825122953.db2.gz YQIWYQSOVUNVLD-NQBHXWOUSA-N 2 0 250.346 -0.006 20 30 CBEDRP N#Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cn1 ZINC001221089015 825142981 /nfs/dbraw/zinc/14/29/81/825142981.db2.gz DMNJDHLCIFIDBS-LBPRGKRZSA-N 2 0 271.324 -0.622 20 30 CBEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])cn1 ZINC001221089084 825143467 /nfs/dbraw/zinc/14/34/67/825143467.db2.gz HEANDRXFTFAFCB-NSHDSACASA-N 2 0 279.369 -0.411 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001221089927 825144103 /nfs/dbraw/zinc/14/41/03/825144103.db2.gz UUQMCZBNIVZHAL-OLZOCXBDSA-N 2 0 267.373 -0.489 20 30 CBEDRP N#Cc1ccc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001221089218 825144131 /nfs/dbraw/zinc/14/41/31/825144131.db2.gz MBPBWCKVCUQQQS-IUODEOHRSA-N 2 0 285.351 -0.231 20 30 CBEDRP C=CC[C@@](C)(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)OC ZINC001221382118 825180046 /nfs/dbraw/zinc/18/00/46/825180046.db2.gz NGJHRNGIQZYEIR-BXUZGUMPSA-N 2 0 283.372 -0.063 20 30 CBEDRP N#C[C@@]1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238396543 825553331 /nfs/dbraw/zinc/55/33/31/825553331.db2.gz QSYALKLCRMJAIO-NSHDSACASA-N 2 0 272.374 -0.839 20 30 CBEDRP C#CCOC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246021522 825623862 /nfs/dbraw/zinc/62/38/62/825623862.db2.gz NQXNXTFPFADLBW-STQMWFEESA-N 2 0 256.346 -0.827 20 30 CBEDRP C=C(C)C(=O)OCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246213636 825651602 /nfs/dbraw/zinc/65/16/02/825651602.db2.gz ZCIATBDSFSQUJO-NSHDSACASA-N 2 0 253.346 -0.211 20 30 CBEDRP CC(C)C[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NO ZINC001246514979 825678760 /nfs/dbraw/zinc/67/87/60/825678760.db2.gz BUTCSFBFZXGMCO-MNOVXSKESA-N 2 0 270.377 -0.410 20 30 CBEDRP C#CCOC[C@@H](O)C[NH+]1CCN(CC[NH+](CC)CC)CC1 ZINC001251821227 825789449 /nfs/dbraw/zinc/78/94/49/825789449.db2.gz KFOWAHAHJCQMGG-INIZCTEOSA-N 2 0 297.443 -0.044 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001251887906 825801673 /nfs/dbraw/zinc/80/16/73/825801673.db2.gz MBZYPQCKXXUIRY-CQSZACIVSA-N 2 0 269.389 -0.776 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001251887859 825801911 /nfs/dbraw/zinc/80/19/11/825801911.db2.gz LEVVTTJOQGTWEZ-AWEZNQCLSA-N 2 0 270.373 -0.709 20 30 CBEDRP C=CCOC[C@@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252471433 825868686 /nfs/dbraw/zinc/86/86/86/825868686.db2.gz XNVRSYWQMBJMGV-AWEZNQCLSA-N 2 0 271.405 -0.271 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC001256585778 826026513 /nfs/dbraw/zinc/02/65/13/826026513.db2.gz ULCUEMQSWLOBCT-ZDUSSCGKSA-N 2 0 296.415 -0.304 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC001261461020 826518022 /nfs/dbraw/zinc/51/80/22/826518022.db2.gz WBCYCXZMBUFZBK-LLVKDONJSA-N 2 0 253.350 -0.971 20 30 CBEDRP C#CC[NH2+]CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC001263178231 826749605 /nfs/dbraw/zinc/74/96/05/826749605.db2.gz GXHZYOQNGQIUQH-DTWKUNHWSA-N 2 0 263.263 -0.195 20 30 CBEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001265266490 826864702 /nfs/dbraw/zinc/86/47/02/826864702.db2.gz OVVFAVBTQCILLH-OAHLLOKOSA-N 2 0 292.427 -0.305 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001265458446 826895243 /nfs/dbraw/zinc/89/52/43/826895243.db2.gz XMUVDMUMQLBLFE-ZDUSSCGKSA-N 2 0 294.399 -0.425 20 30 CBEDRP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001265484737 826899135 /nfs/dbraw/zinc/89/91/35/826899135.db2.gz NATJDGDAQILBOE-IJLUTSLNSA-N 2 0 295.387 -0.797 20 30 CBEDRP C#CC[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267195954 827125479 /nfs/dbraw/zinc/12/54/79/827125479.db2.gz UUCWMMROQHXFGI-UHFFFAOYSA-N 2 0 277.372 -0.261 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268314812 827293915 /nfs/dbraw/zinc/29/39/15/827293915.db2.gz LSHVPXWUUCXUFH-RYUDHWBXSA-N 2 0 253.346 -0.829 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268329426 827305111 /nfs/dbraw/zinc/30/51/11/827305111.db2.gz UEESXSZKAYLPGM-VXGBXAGGSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268422753 827325177 /nfs/dbraw/zinc/32/51/77/827325177.db2.gz HNFPMFAUCASSLO-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP COCC#CC[NH2+]C/C=C\CNC(=O)C12CC[NH+](CC1)C2 ZINC001268614848 827381304 /nfs/dbraw/zinc/38/13/04/827381304.db2.gz ZQYZUQJWCBVBAR-IHWYPQMZSA-N 2 0 291.395 -0.006 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001268699110 827406490 /nfs/dbraw/zinc/40/64/90/827406490.db2.gz GMILXRDWPYCYFC-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268717313 827411188 /nfs/dbraw/zinc/41/11/88/827411188.db2.gz VPWDJNJAIKHTJY-NSHDSACASA-N 2 0 283.376 -0.939 20 30 CBEDRP C=CCNC(=O)CN1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001269165672 827470273 /nfs/dbraw/zinc/47/02/73/827470273.db2.gz IBXOBYYRRFVGJF-GFCCVEGCSA-N 2 0 282.388 -0.569 20 30 CBEDRP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001269393163 827502778 /nfs/dbraw/zinc/50/27/78/827502778.db2.gz AWGUZHUAEFHYQP-LBPRGKRZSA-N 2 0 265.357 -0.421 20 30 CBEDRP C#CCC[NH2+]C1(CNC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001269393162 827503316 /nfs/dbraw/zinc/50/33/16/827503316.db2.gz AWGUZHUAEFHYQP-GFCCVEGCSA-N 2 0 265.357 -0.421 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001270371506 827562165 /nfs/dbraw/zinc/56/21/65/827562165.db2.gz HXXVRDDDUSIFCB-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271208310 827675840 /nfs/dbraw/zinc/67/58/40/827675840.db2.gz IRLAFFHDFRZQDY-HOCLYGCPSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271192556 827675883 /nfs/dbraw/zinc/67/58/83/827675883.db2.gz NATWDMCIOWBAOP-JSGCOSHPSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271218879 827677347 /nfs/dbraw/zinc/67/73/47/827677347.db2.gz DNXHCDWWVBVTEM-JSGCOSHPSA-N 2 0 265.357 -0.876 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001272434222 827795847 /nfs/dbraw/zinc/79/58/47/827795847.db2.gz CMJZLRIRVACBIJ-GFCCVEGCSA-N 2 0 253.346 -0.829 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001272443924 827799096 /nfs/dbraw/zinc/79/90/96/827799096.db2.gz QSXHZLTUFKVSME-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001272455741 827800564 /nfs/dbraw/zinc/80/05/64/827800564.db2.gz VNYMZGAYYYGFRK-NWDGAFQWSA-N 2 0 255.362 -0.277 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272503168 827807506 /nfs/dbraw/zinc/80/75/06/827807506.db2.gz BADOFBBDESAOMJ-MELADBBJSA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CCN1C(=O)COCC12C[NH+](CC1CC[NH+](C)CC1)C2 ZINC001272887837 827848821 /nfs/dbraw/zinc/84/88/21/827848821.db2.gz KZJCOIILNJXYDR-UHFFFAOYSA-N 2 0 291.395 -0.125 20 30 CBEDRP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001273496189 827902955 /nfs/dbraw/zinc/90/29/55/827902955.db2.gz WTCIPYZAZCSEQZ-CYBMUJFWSA-N 2 0 267.373 -0.270 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274810146 828031476 /nfs/dbraw/zinc/03/14/76/828031476.db2.gz GMILXRDWPYCYFC-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278017887 828231182 /nfs/dbraw/zinc/23/11/82/828231182.db2.gz QVRMEJDAPVOVQF-CHWSQXEVSA-N 2 0 294.399 -0.876 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001278077858 828241859 /nfs/dbraw/zinc/24/18/59/828241859.db2.gz OMYOUFIQIYVLOA-ZDUSSCGKSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001278100363 828247741 /nfs/dbraw/zinc/24/77/41/828247741.db2.gz XLTUFWRXZOUREP-OLZOCXBDSA-N 2 0 269.389 -0.337 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001278100364 828248122 /nfs/dbraw/zinc/24/81/22/828248122.db2.gz XLTUFWRXZOUREP-STQMWFEESA-N 2 0 269.389 -0.337 20 30 CBEDRP C=CCC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001278146218 828251883 /nfs/dbraw/zinc/25/18/83/828251883.db2.gz DUPNQWFIMVRDIL-ZDUSSCGKSA-N 2 0 269.389 -0.029 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001278826392 828293283 /nfs/dbraw/zinc/29/32/83/828293283.db2.gz FMMJCWLPTBBDEW-NEPJUHHUSA-N 2 0 255.362 -0.631 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001278826393 828293661 /nfs/dbraw/zinc/29/36/61/828293661.db2.gz FMMJCWLPTBBDEW-NWDGAFQWSA-N 2 0 255.362 -0.631 20 30 CBEDRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC001330608067 886502825 /nfs/dbraw/zinc/50/28/25/886502825.db2.gz LVRKADOENHMIQU-LLVKDONJSA-N 2 0 256.350 -0.298 20 30 CBEDRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143339 890416409 /nfs/dbraw/zinc/41/64/09/890416409.db2.gz PDITWUYBEFBEPR-QWHCGFSZSA-N 2 0 264.373 -0.944 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001326091048 884903476 /nfs/dbraw/zinc/90/34/76/884903476.db2.gz IORMLCMJZIQKHN-ZDUSSCGKSA-N 2 0 267.373 -0.628 20 30 CBEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC001326568520 885066220 /nfs/dbraw/zinc/06/62/20/885066220.db2.gz ZSVPFNCBCYTESU-GARJFASQSA-N 2 0 254.334 -0.418 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326979173 885210380 /nfs/dbraw/zinc/21/03/80/885210380.db2.gz NSUPYALRQTWLFL-GJZGRUSLSA-N 2 0 291.395 -0.222 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001327129697 885263888 /nfs/dbraw/zinc/26/38/88/885263888.db2.gz AUDNLMHZXJVAJV-GHMZBOCLSA-N 2 0 254.334 -0.498 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001329098669 885927361 /nfs/dbraw/zinc/92/73/61/885927361.db2.gz BHMAYRJCGQRDJO-MNOVXSKESA-N 2 0 254.334 -0.416 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC001330880696 886613059 /nfs/dbraw/zinc/61/30/59/886613059.db2.gz UOEZAYVCEJLRBG-RDQZHIRPSA-N 2 0 260.341 -0.540 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001331738297 886946127 /nfs/dbraw/zinc/94/61/27/886946127.db2.gz FWUYVLTWHQJENR-VXGBXAGGSA-N 2 0 255.362 -0.583 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001331738286 886947145 /nfs/dbraw/zinc/94/71/45/886947145.db2.gz FTAAIRQABUUCBA-NWDGAFQWSA-N 2 0 257.378 -0.031 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001331788582 886981085 /nfs/dbraw/zinc/98/10/85/886981085.db2.gz WOVXDAUWKRJGTP-KGLIPLIRSA-N 2 0 297.399 -0.955 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)CC[N@@H+](C)CC ZINC001331824443 887001052 /nfs/dbraw/zinc/00/10/52/887001052.db2.gz INUZGCFOJAGUNN-LBPRGKRZSA-N 2 0 255.362 -0.582 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]CCOC)CC1 ZINC001331843750 887008629 /nfs/dbraw/zinc/00/86/29/887008629.db2.gz XMIDCHBODXPPTH-AWEZNQCLSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[C@H](CO)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001332009630 887082158 /nfs/dbraw/zinc/08/21/58/887082158.db2.gz HYVAIKQCVWJVNS-MRXNPFEDSA-N 2 0 295.427 -0.243 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001332158504 887137128 /nfs/dbraw/zinc/13/71/28/887137128.db2.gz YZSIVDPGVAXFLK-GFCCVEGCSA-N 2 0 267.377 -0.581 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001332491246 887318738 /nfs/dbraw/zinc/31/87/38/887318738.db2.gz SCSNWKRGNKPFIM-VXGBXAGGSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001332515639 887333244 /nfs/dbraw/zinc/33/32/44/887333244.db2.gz CJTURDLYAWNRLC-CABCVRRESA-N 2 0 293.411 -0.240 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001332520289 887335108 /nfs/dbraw/zinc/33/51/08/887335108.db2.gz AAADTMYFYDNPTJ-AWEZNQCLSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001332522064 887336466 /nfs/dbraw/zinc/33/64/66/887336466.db2.gz MLUMXSLZPIBWLE-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001332524034 887338711 /nfs/dbraw/zinc/33/87/11/887338711.db2.gz ZUJBKUUJYUHBIE-OLZOCXBDSA-N 2 0 269.389 -0.385 20 30 CBEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)CCC ZINC001332679135 887402537 /nfs/dbraw/zinc/40/25/37/887402537.db2.gz VHNSUJUZBMUNNO-ZDUSSCGKSA-N 2 0 269.389 -0.288 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001340267585 889417450 /nfs/dbraw/zinc/41/74/50/889417450.db2.gz UHJRWYGPNXYKND-CMPLNLGQSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001340617860 889457245 /nfs/dbraw/zinc/45/72/45/889457245.db2.gz ZEUWOPRXUXDUIU-RKDXNWHRSA-N 2 0 259.737 -0.297 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340854469 889497998 /nfs/dbraw/zinc/49/79/98/889497998.db2.gz TZMLBQCDRFODSH-GXTWGEPZSA-N 2 0 267.373 -0.134 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340854478 889498546 /nfs/dbraw/zinc/49/85/46/889498546.db2.gz TZMLBQCDRFODSH-TZMCWYRMSA-N 2 0 267.373 -0.134 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC001340891654 889507090 /nfs/dbraw/zinc/50/70/90/889507090.db2.gz BMDYFEVZNFWCFG-ZDUSSCGKSA-N 2 0 266.389 -0.791 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001340907992 889514473 /nfs/dbraw/zinc/51/44/73/889514473.db2.gz OARQYWLAOBQVMK-UTUOFQBUSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@]([NH3+])(CO)C1 ZINC001341240620 889561769 /nfs/dbraw/zinc/56/17/69/889561769.db2.gz UNIYAUZWUGSEHG-KOLCDFICSA-N 2 0 261.753 -0.232 20 30 CBEDRP C[NH2+]C[C@H](O)CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC001341493374 889607297 /nfs/dbraw/zinc/60/72/97/889607297.db2.gz QHEVYFMKKBAFDD-LBPRGKRZSA-N 2 0 253.346 -0.972 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343374529 889895915 /nfs/dbraw/zinc/89/59/15/889895915.db2.gz UDDIQMWPOQFOIV-UHFFFAOYSA-N 2 0 291.395 -0.031 20 30 CBEDRP C[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC001346089795 890213870 /nfs/dbraw/zinc/21/38/70/890213870.db2.gz XIFZVSDKWHTNCR-STQMWFEESA-N 2 0 281.404 -0.240 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCCN1CCC([NH3+])CC1 ZINC001346453381 890295693 /nfs/dbraw/zinc/29/56/93/890295693.db2.gz IOEWFPRRISXWMF-UHFFFAOYSA-N 3 0 295.431 -0.336 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001349370667 890801934 /nfs/dbraw/zinc/80/19/34/890801934.db2.gz FJRPKMWYVCJOJA-NEPJUHHUSA-N 2 0 295.387 -0.679 20 30 CBEDRP C[C@H]([NH3+])[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001349817074 890898226 /nfs/dbraw/zinc/89/82/26/890898226.db2.gz RSWAHVGHJJCHQM-ZTMRRJCOSA-N 2 0 250.346 -0.022 20 30 CBEDRP C#C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC001350433194 890984603 /nfs/dbraw/zinc/98/46/03/890984603.db2.gz KJPAVPZPXMIDDU-HZPDHXFCSA-N 2 0 295.427 -0.387 20 30 CBEDRP C[C@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[NH2+]C1 ZINC001353067186 891356211 /nfs/dbraw/zinc/35/62/11/891356211.db2.gz DRAXCXVUPWNTQW-QGPNDVEFSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001353918698 891488652 /nfs/dbraw/zinc/48/86/52/891488652.db2.gz SXCLMCRMOSAIDT-LLVKDONJSA-N 2 0 255.362 -0.018 20 30 CBEDRP C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+](C)C ZINC001356597973 891783396 /nfs/dbraw/zinc/78/33/96/891783396.db2.gz WLNUPIIWADMYNM-CHWSQXEVSA-N 2 0 256.394 -0.020 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001422269165 907769654 /nfs/dbraw/zinc/76/96/54/907769654.db2.gz VTGBYOGHRHCKFB-MNOVXSKESA-N 2 0 275.780 -0.100 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507064446 921666859 /nfs/dbraw/zinc/66/68/59/921666859.db2.gz VNFCCVGPPQVKFA-QWHCGFSZSA-N 2 0 296.415 -0.181 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001507232152 921763513 /nfs/dbraw/zinc/76/35/13/921763513.db2.gz MKTXEOQOHZQPST-CYBMUJFWSA-N 2 0 269.389 -0.029 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001507240705 921772768 /nfs/dbraw/zinc/77/27/68/921772768.db2.gz GJUSQPYWNRSCFC-CYBMUJFWSA-N 2 0 267.373 -0.582 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC001471630922 915603631 /nfs/dbraw/zinc/60/36/31/915603631.db2.gz ZTVAGMRUCICRGM-ZDUSSCGKSA-N 2 0 270.377 -0.837 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001471631223 915609885 /nfs/dbraw/zinc/60/98/85/915609885.db2.gz VKQMQNQHPYDQCB-STQMWFEESA-N 2 0 264.373 -0.103 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001480530505 916459513 /nfs/dbraw/zinc/45/95/13/916459513.db2.gz IMBYYXDMCDHOHB-VXGBXAGGSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480658365 916512972 /nfs/dbraw/zinc/51/29/72/916512972.db2.gz DBIGDMZMDUWZCG-CYBMUJFWSA-N 2 0 294.399 -0.874 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001482742527 917248728 /nfs/dbraw/zinc/24/87/28/917248728.db2.gz RWRFWUOCSLHLAC-OLZOCXBDSA-N 2 0 267.373 -0.439 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482967711 917349499 /nfs/dbraw/zinc/34/94/99/917349499.db2.gz XEVQWYHRPKLQJZ-ZDUSSCGKSA-N 2 0 296.415 -0.322 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484217294 917770480 /nfs/dbraw/zinc/77/04/80/917770480.db2.gz RGVYOEBNTUSJCN-HOCLYGCPSA-N 2 0 291.395 -0.486 20 30 CBEDRP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001484246253 917783591 /nfs/dbraw/zinc/78/35/91/917783591.db2.gz HOJVZVSFLRYOQC-DZGCQCFKSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484238213 917788457 /nfs/dbraw/zinc/78/84/57/917788457.db2.gz YLMINOKZPUCREO-OFQRWUPVSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252891 917790005 /nfs/dbraw/zinc/79/00/05/917790005.db2.gz XYIUTLLUJLOZQC-HIFRSBDPSA-N 2 0 279.384 -0.486 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252893 917793681 /nfs/dbraw/zinc/79/36/81/917793681.db2.gz XYIUTLLUJLOZQC-ZFWWWQNUSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCO)C2)CC1 ZINC001485110454 917998491 /nfs/dbraw/zinc/99/84/91/917998491.db2.gz JGGLXVLBXPKNSW-UHFFFAOYSA-N 2 0 293.411 -0.192 20 30 CBEDRP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485225081 918033365 /nfs/dbraw/zinc/03/33/65/918033365.db2.gz HNSQMIBUOIVRGR-RYUDHWBXSA-N 2 0 295.387 -0.795 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001486022609 918315005 /nfs/dbraw/zinc/31/50/05/918315005.db2.gz GGUJHSLQVIHDHP-CYBMUJFWSA-N 2 0 281.400 -0.049 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001486066605 918355619 /nfs/dbraw/zinc/35/56/19/918355619.db2.gz QZNCCDMHXSOZIU-CYBMUJFWSA-N 2 0 285.388 -0.957 20 30 CBEDRP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001486318427 918423187 /nfs/dbraw/zinc/42/31/87/918423187.db2.gz SMYSKRKGNOZCSW-AWEZNQCLSA-N 2 0 299.415 -0.615 20 30 CBEDRP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)CC[NH+](C)C)C1 ZINC001486475193 918472779 /nfs/dbraw/zinc/47/27/79/918472779.db2.gz CLGGBYJZWNHAQK-UHFFFAOYSA-N 2 0 294.399 -0.734 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793835 919619684 /nfs/dbraw/zinc/61/96/84/919619684.db2.gz NHFFZZLYSXJRQY-STQMWFEESA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001496249205 920052989 /nfs/dbraw/zinc/05/29/89/920052989.db2.gz NSWIECRHNFZYGC-ZDUSSCGKSA-N 2 0 296.415 -0.488 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001496978940 920191056 /nfs/dbraw/zinc/19/10/56/920191056.db2.gz LZHQXVGRBVJMEV-FRRDWIJNSA-N 2 0 267.373 -0.583 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496979003 920191463 /nfs/dbraw/zinc/19/14/63/920191463.db2.gz NESOXJRGIVBESW-MELADBBJSA-N 2 0 281.400 -0.193 20 30 CBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001497091811 920246285 /nfs/dbraw/zinc/24/62/85/920246285.db2.gz LJFKDOYHTYABAD-RYUDHWBXSA-N 2 0 257.378 -0.031 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497113678 920252341 /nfs/dbraw/zinc/25/23/41/920252341.db2.gz LLEGNLZUWJIAMG-NWDGAFQWSA-N 2 0 253.346 -0.972 20 30 CBEDRP CC[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001497835632 920406075 /nfs/dbraw/zinc/40/60/75/920406075.db2.gz HUXUAVJULPPOQL-GHMZBOCLSA-N 2 0 283.376 -0.939 20 30 CBEDRP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001498654720 920623341 /nfs/dbraw/zinc/62/33/41/920623341.db2.gz IHBNNBQBVLIWHK-GFCCVEGCSA-N 2 0 295.387 -0.984 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500724623 920869117 /nfs/dbraw/zinc/86/91/17/920869117.db2.gz GNORSRUHXMBRFK-UKRRQHHQSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500724876 920874484 /nfs/dbraw/zinc/87/44/84/920874484.db2.gz JAQUWHGUTQFNPW-ZBFHGGJFSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001507598063 921876786 /nfs/dbraw/zinc/87/67/86/921876786.db2.gz DBQNQIPPAXINEZ-UONOGXRCSA-N 2 0 281.400 -0.145 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001521195216 922338929 /nfs/dbraw/zinc/33/89/29/922338929.db2.gz OWCGIEBBYBEIKP-STQMWFEESA-N 2 0 267.373 -0.175 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCSCCC[NH3+] ZINC001521511522 922366409 /nfs/dbraw/zinc/36/64/09/922366409.db2.gz BSQPUXRRVYWPDI-NXEZZACHSA-N 2 0 256.375 -0.314 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC001545547460 923317267 /nfs/dbraw/zinc/31/72/67/923317267.db2.gz LDCGSFXIZNSYIU-VXGBXAGGSA-N 2 0 255.362 -0.061 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC([NH2+][C@@H]2CCOC2)C1 ZINC001558549840 924184359 /nfs/dbraw/zinc/18/43/59/924184359.db2.gz ULPBQCXSZBEKPL-LLVKDONJSA-N 2 0 253.346 -0.307 20 30 CBEDRP C=CC[NH+](CC=C)[C@H](CNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000274467443 352538863 /nfs/dbraw/zinc/53/88/63/352538863.db2.gz WLMHSAJHNSBLLJ-CYBMUJFWSA-N 2 0 296.415 -0.124 20 30 CBEDRP OC[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@H](CO)C2)C1 ZINC000342144854 353219207 /nfs/dbraw/zinc/21/92/07/353219207.db2.gz WJWUUODSHZULFN-KBPBESRZSA-N 2 0 252.358 -0.382 20 30 CBEDRP C[C@@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@@](C)(O)C2)C1 ZINC000341872380 353217309 /nfs/dbraw/zinc/21/73/09/353217309.db2.gz PJJKRNHYPTWWIT-ZIAGYGMSSA-N 2 0 252.358 -0.097 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000351553793 353475666 /nfs/dbraw/zinc/47/56/66/353475666.db2.gz BORRKDJBJOVRAA-ZDUSSCGKSA-N 2 0 294.399 -0.379 20 30 CBEDRP C#CCN1CCN(C(=O)CN(C)CCn2cccn2)CC1 ZINC000490781245 354446931 /nfs/dbraw/zinc/44/69/31/354446931.db2.gz ZAJVUMSTARZZNN-UHFFFAOYSA-N 2 0 289.383 -0.408 20 30 CBEDRP C=CCNC(=O)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000566302717 354762719 /nfs/dbraw/zinc/76/27/19/354762719.db2.gz NRMXMKHODYCXGV-CQSZACIVSA-N 2 0 280.416 -0.094 20 30 CBEDRP C=CC[C@H](CO)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000569927935 354849833 /nfs/dbraw/zinc/84/98/33/354849833.db2.gz RDCRKSYYWMAXPJ-RQJABVFESA-N 2 0 272.389 -0.017 20 30 CBEDRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594424597 355248131 /nfs/dbraw/zinc/24/81/31/355248131.db2.gz GQSSJZMSSZOPQC-ZDUSSCGKSA-N 2 0 281.404 -0.239 20 30 CBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])CCCC#N ZINC000595256733 355275530 /nfs/dbraw/zinc/27/55/30/355275530.db2.gz RLSVPLDFSPIMKH-GFCCVEGCSA-N 2 0 297.403 -0.514 20 30 CBEDRP C=C(CNC(=O)[C@@H](C)[NH+](C)C)CNC(=O)[C@@H](C)[NH+](C)C ZINC000636243228 357273229 /nfs/dbraw/zinc/27/32/29/357273229.db2.gz YIPZLVYMMKJLQQ-VXGBXAGGSA-N 2 0 284.404 -0.325 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638102457 357418434 /nfs/dbraw/zinc/41/84/34/357418434.db2.gz VPLZNZRUVAKWJY-UHFFFAOYSA-N 2 0 266.389 -0.342 20 30 CBEDRP C=CCNC(=O)NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000044530168 220193050 /nfs/dbraw/zinc/19/30/50/220193050.db2.gz OCSJWGZMUYNMHY-SNVBAGLBSA-N 2 0 254.334 -0.331 20 30 CBEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)Nc1ccccn1 ZINC000178991431 220223622 /nfs/dbraw/zinc/22/36/22/220223622.db2.gz XPEDVSKFYHPHKR-NSHDSACASA-N 2 0 260.345 -0.192 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)NC[C@]1(C)CCCO1 ZINC000261739460 220244250 /nfs/dbraw/zinc/24/42/50/220244250.db2.gz KMFQHKJXPKEXBU-HIFRSBDPSA-N 2 0 297.447 -0.034 20 30 CBEDRP C[NH+]=C(NCCn1cncn1)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261830822 220246665 /nfs/dbraw/zinc/24/66/65/220246665.db2.gz VLGREZCDIFECSV-DGCLKSJQSA-N 2 0 291.403 -0.074 20 30 CBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262312148 220250085 /nfs/dbraw/zinc/25/00/85/220250085.db2.gz PYSIAKPMXIZEJG-JQWIXIFHSA-N 2 0 256.350 -0.864 20 30 CBEDRP C[C@H]1CN(C(=[NH2+])NC[C@@H]2C[NH+]3CCN2CC3)CCO1 ZINC000262455690 220251652 /nfs/dbraw/zinc/25/16/52/220251652.db2.gz LANLENOFGGAZRW-NWDGAFQWSA-N 2 0 267.377 -0.978 20 30 CBEDRP C[NH+]=C(NCc1nncn1C)N[C@@H]1CCN(C2CC2)C1 ZINC000262767433 220258384 /nfs/dbraw/zinc/25/83/84/220258384.db2.gz JLYJHGNCEIZDHQ-SNVBAGLBSA-N 2 0 277.376 -0.283 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cncn1 ZINC000264149552 220262698 /nfs/dbraw/zinc/26/26/98/220262698.db2.gz YVPJXCUFYSNGOP-LLVKDONJSA-N 2 0 265.365 -0.333 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303985265 220325428 /nfs/dbraw/zinc/32/54/28/220325428.db2.gz SUPXAANYJWBUDC-CHWSQXEVSA-N 2 0 283.420 -0.294 20 30 CBEDRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000332659322 220383722 /nfs/dbraw/zinc/38/37/22/220383722.db2.gz AXNGAMURSGCMQU-AGIUHOORSA-N 2 0 280.372 -0.061 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662766294 419714116 /nfs/dbraw/zinc/71/41/16/419714116.db2.gz IENZCXQEHXRSSQ-WCQYABFASA-N 2 0 253.346 -0.129 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000491396265 420312444 /nfs/dbraw/zinc/31/24/44/420312444.db2.gz XJVNHQSXTQHHQA-HNNXBMFYSA-N 2 0 294.443 -0.011 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@H](COC)C1 ZINC000261851335 275407186 /nfs/dbraw/zinc/40/71/86/275407186.db2.gz QFEXKTAUHPRVNX-UONOGXRCSA-N 2 0 295.431 -0.470 20 30 CBEDRP CCOCCCNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000178991489 276315061 /nfs/dbraw/zinc/31/50/61/276315061.db2.gz JOCCTSQYCWJALJ-LBPRGKRZSA-N 2 0 269.393 -0.683 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262758930 279303554 /nfs/dbraw/zinc/30/35/54/279303554.db2.gz FFZOBYVJSJSYBX-ZIAGYGMSSA-N 3 0 294.447 -0.625 20 30 CBEDRP CN(C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(C#N)cc1 ZINC000564978172 327308929 /nfs/dbraw/zinc/30/89/29/327308929.db2.gz KOIQPJLNJSBATN-KBPBESRZSA-N 2 0 293.367 -0.190 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000570448241 327592399 /nfs/dbraw/zinc/59/23/99/327592399.db2.gz PZONJKHLOUZHOT-NSHDSACASA-N 2 0 269.345 -0.357 20 30 CBEDRP CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C[NH3+])C1 ZINC000582604824 329114606 /nfs/dbraw/zinc/11/46/06/329114606.db2.gz HBGRJMFOWOFPQN-GHMZBOCLSA-N 2 0 253.350 -0.891 20 30 CBEDRP CN1CCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C[NH3+])C1 ZINC000582604827 329114841 /nfs/dbraw/zinc/11/48/41/329114841.db2.gz HBGRJMFOWOFPQN-WDEREUQCSA-N 2 0 253.350 -0.891 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)CC1 ZINC000490984765 332135914 /nfs/dbraw/zinc/13/59/14/332135914.db2.gz HVHUOWXGEDDNLA-HNNXBMFYSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1CCOCC1 ZINC000491569155 332240172 /nfs/dbraw/zinc/24/01/72/332240172.db2.gz VCYCUXSCFFBCQO-UHFFFAOYSA-N 2 0 267.373 -0.172 20 30 CBEDRP C#CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000491699116 332294035 /nfs/dbraw/zinc/29/40/35/332294035.db2.gz CCKOUAIFHQKIKX-AWEZNQCLSA-N 2 0 282.432 -0.060 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000491732088 332313503 /nfs/dbraw/zinc/31/35/03/332313503.db2.gz HDQRSXUEZCWTJK-HNNXBMFYSA-N 2 0 294.443 -0.013 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104167466 582113091 /nfs/dbraw/zinc/11/30/91/582113091.db2.gz NAUORCVZEKJPJS-ZDUSSCGKSA-N 2 0 283.420 -0.341 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000764505458 582323708 /nfs/dbraw/zinc/32/37/08/582323708.db2.gz FJRPLWWBGJZGBS-ZDUSSCGKSA-N 2 0 268.405 -0.144 20 30 CBEDRP CC1CC[NH+](CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834479245 583123864 /nfs/dbraw/zinc/12/38/64/583123864.db2.gz BMDUNIOQKAJXHZ-NEPJUHHUSA-N 2 0 250.346 -0.054 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485623 583125069 /nfs/dbraw/zinc/12/50/69/583125069.db2.gz ZNORFALJRPQDDH-AGIUHOORSA-N 2 0 258.325 -0.216 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458853 583221071 /nfs/dbraw/zinc/22/10/71/583221071.db2.gz AKEHLSFQFRZMAQ-QWHCGFSZSA-N 2 0 270.336 -0.290 20 30 CBEDRP C#CCC[NH+]1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000846837988 583388689 /nfs/dbraw/zinc/38/86/89/583388689.db2.gz UBYRBZDZCIDHRJ-AWEZNQCLSA-N 2 0 253.390 -0.060 20 30 CBEDRP C#CCC[NH+]1CCN(C[C@H](O)C[N@@H+](C)CCOC)CC1 ZINC000846836680 583388749 /nfs/dbraw/zinc/38/87/49/583388749.db2.gz HPYPCOWAYDCKOC-OAHLLOKOSA-N 2 0 283.416 -0.434 20 30 CBEDRP C=CCNC(=[NH2+])NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999330 583465460 /nfs/dbraw/zinc/46/54/60/583465460.db2.gz WDZJQGDBYKVOFS-LLVKDONJSA-N 2 0 267.377 -0.126 20 30 CBEDRP CN1CC[NH+]=C1NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000848999887 583465932 /nfs/dbraw/zinc/46/59/32/583465932.db2.gz ABLYVTUEVPIWLL-LLVKDONJSA-N 2 0 267.377 -0.535 20 30 CBEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852800204 583553524 /nfs/dbraw/zinc/55/35/24/583553524.db2.gz MROXCHHREXMXRT-WCQYABFASA-N 2 0 265.357 -0.436 20 30 CBEDRP CC[NH+]1CCN(CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852873345 583565521 /nfs/dbraw/zinc/56/55/21/583565521.db2.gz SSWFKEGODVHQFG-UHFFFAOYSA-N 2 0 292.427 -0.257 20 30 CBEDRP COCC[NH2+]CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852874978 583565792 /nfs/dbraw/zinc/56/57/92/583565792.db2.gz YZOFCVVNBAECTJ-UHFFFAOYSA-N 2 0 253.346 -0.658 20 30 CBEDRP [NH3+]C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCCO1 ZINC000852893250 583570756 /nfs/dbraw/zinc/57/07/56/583570756.db2.gz TWDOCCADXDJPPU-ZDUSSCGKSA-N 2 0 265.357 -0.434 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000853079327 583577637 /nfs/dbraw/zinc/57/76/37/583577637.db2.gz ZQEIMTRFMWPSKY-JSGCOSHPSA-N 2 0 279.384 -0.033 20 30 CBEDRP C#CC[C@H](CCOC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000863589811 583848174 /nfs/dbraw/zinc/84/81/74/583848174.db2.gz XXDLWYXHOYYQFY-HUUCEWRRSA-N 2 0 283.416 -0.387 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876526132 584131301 /nfs/dbraw/zinc/13/13/01/584131301.db2.gz PRHUDMCISKZPTL-NSHDSACASA-N 2 0 274.796 -0.180 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000876783387 584144664 /nfs/dbraw/zinc/14/46/64/584144664.db2.gz AKHBYTIHACLSID-QWRGUYRKSA-N 2 0 274.796 -0.182 20 30 CBEDRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801804 584146047 /nfs/dbraw/zinc/14/60/47/584146047.db2.gz IZBMFUDIEYEKKT-CHWSQXEVSA-N 2 0 298.387 -0.801 20 30 CBEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[N@@H+]1C ZINC000876802123 584146379 /nfs/dbraw/zinc/14/63/79/584146379.db2.gz LTVLUQKQPSGURS-FIQHERPVSA-N 2 0 250.346 -0.056 20 30 CBEDRP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC[N@@H+]1C ZINC000876802125 584146414 /nfs/dbraw/zinc/14/64/14/584146414.db2.gz LTVLUQKQPSGURS-NOOOWODRSA-N 2 0 250.346 -0.056 20 30 CBEDRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000876803341 584146598 /nfs/dbraw/zinc/14/65/98/584146598.db2.gz VVVMAPICSBSONI-JQWIXIFHSA-N 2 0 276.344 -0.714 20 30 CBEDRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000876803344 584146996 /nfs/dbraw/zinc/14/69/96/584146996.db2.gz VVVMAPICSBSONI-ZYHUDNBSSA-N 2 0 276.344 -0.714 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000876846259 584149265 /nfs/dbraw/zinc/14/92/65/584149265.db2.gz ACECORIIJDCUID-VHSXEESVSA-N 2 0 289.763 -0.180 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876850852 584149633 /nfs/dbraw/zinc/14/96/33/584149633.db2.gz CXUHANMACWMALD-RYUDHWBXSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000876972508 584159227 /nfs/dbraw/zinc/15/92/27/584159227.db2.gz LDCJKHWCENPEBP-VXGBXAGGSA-N 2 0 286.807 -0.038 20 30 CBEDRP C#CCN1CCC[C@@H](NC(=O)NCCN2CCOCC2)C1 ZINC000884040069 584357006 /nfs/dbraw/zinc/35/70/06/584357006.db2.gz IWNSWFSXBJAZLG-CQSZACIVSA-N 2 0 294.399 -0.285 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)CC1 ZINC000884642489 584392541 /nfs/dbraw/zinc/39/25/41/584392541.db2.gz KLKMVXQASVQXNT-VXGBXAGGSA-N 2 0 294.399 -0.299 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000970357213 612961019 /nfs/dbraw/zinc/96/10/19/612961019.db2.gz MGTRAUVSWWBMEE-CYBMUJFWSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000969407730 612963554 /nfs/dbraw/zinc/96/35/54/612963554.db2.gz SLGOZLOFYSYMEN-MYMJJRTCSA-N 2 0 289.379 -0.327 20 30 CBEDRP C#CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CN(C)CCO2)C1 ZINC000969440442 612994269 /nfs/dbraw/zinc/99/42/69/612994269.db2.gz GUCQVLCQHXZACT-TZMCWYRMSA-N 2 0 279.384 -0.223 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CC(N)=O)C2)CC1 ZINC000970792789 613129002 /nfs/dbraw/zinc/12/90/02/613129002.db2.gz VYCGQTSQNPFLDE-CYBMUJFWSA-N 2 0 292.383 -0.993 20 30 CBEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595458 613611811 /nfs/dbraw/zinc/61/18/11/613611811.db2.gz RTAHZMHSCZOCLF-UONOGXRCSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)NCCOCC[NH+](C)C)CC1 ZINC000922143755 658009909 /nfs/dbraw/zinc/00/99/09/658009909.db2.gz ABADIXJLEDXZKU-UHFFFAOYSA-N 2 0 296.415 -0.039 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000303363662 656138866 /nfs/dbraw/zinc/13/88/66/656138866.db2.gz FAJKNDZYAFTVCE-ZDUSSCGKSA-N 2 0 283.420 -0.293 20 30 CBEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)N1CC[NH+](C)CC1 ZINC000303389737 656139051 /nfs/dbraw/zinc/13/90/51/656139051.db2.gz CSKSBEPPDYXVIR-CHWSQXEVSA-N 2 0 283.420 -0.294 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305781491 656141488 /nfs/dbraw/zinc/14/14/88/656141488.db2.gz OZKMJBIFMXEPAD-LBPRGKRZSA-N 2 0 297.403 -0.766 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000710648100 656199338 /nfs/dbraw/zinc/19/93/38/656199338.db2.gz FZSVRCSMKLWCFH-GFCCVEGCSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879517 657154639 /nfs/dbraw/zinc/15/46/39/657154639.db2.gz MZBHWOAHGZJWOW-NWDGAFQWSA-N 2 0 254.378 -0.229 20 30 CBEDRP CO[C@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)[N@H+](C)C1 ZINC000913522682 657490087 /nfs/dbraw/zinc/49/00/87/657490087.db2.gz ULEOBVGXIYNOKG-RYUDHWBXSA-N 2 0 253.346 -0.613 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913524019 657492550 /nfs/dbraw/zinc/49/25/50/657492550.db2.gz WQRVJJVDPZIZEN-CHWSQXEVSA-N 2 0 265.357 -0.469 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C ZINC000922629351 658065775 /nfs/dbraw/zinc/06/57/75/658065775.db2.gz JEJJIUXWNNHAIB-GFCCVEGCSA-N 2 0 252.362 -0.055 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1C ZINC000924978116 658683165 /nfs/dbraw/zinc/68/31/65/658683165.db2.gz VEUOMONEQIPBMI-VXGBXAGGSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCO)C[C@H]2C)CC1 ZINC000989829348 659616768 /nfs/dbraw/zinc/61/67/68/659616768.db2.gz RTSVPQJPOHDFIC-HIFRSBDPSA-N 2 0 293.411 -0.097 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000723672029 790801533 /nfs/dbraw/zinc/80/15/33/790801533.db2.gz IVPJESWRPDWWNL-JTQLQIEISA-N 2 0 254.334 -0.331 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001077003069 805670939 /nfs/dbraw/zinc/67/09/39/805670939.db2.gz RFRJRQYSOPAUHG-RBSFLKMASA-N 2 0 291.395 -0.487 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147999888 814929729 /nfs/dbraw/zinc/92/97/29/814929729.db2.gz HHAFJPFLFKVGGB-GFCCVEGCSA-N 2 0 294.399 -0.521 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001083778410 806431366 /nfs/dbraw/zinc/43/13/66/806431366.db2.gz LYLGSYPRSALFTN-MJBXVCDLSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053573 806481289 /nfs/dbraw/zinc/48/12/89/806481289.db2.gz CFNYNXCVDNUCKS-XQQFMLRXSA-N 2 0 265.357 -0.877 20 30 CBEDRP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001031688858 799533916 /nfs/dbraw/zinc/53/39/16/799533916.db2.gz MRHOECXDNNEISV-HUUCEWRRSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](C)O)C2)CC1 ZINC001032207201 799594105 /nfs/dbraw/zinc/59/41/05/799594105.db2.gz HFXJICGBHOEBHD-ZDUSSCGKSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CCCO)C2)CC1 ZINC001032207764 799594111 /nfs/dbraw/zinc/59/41/11/799594111.db2.gz ZYTJOYHGWZOXGJ-UHFFFAOYSA-N 2 0 293.411 -0.238 20 30 CBEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047527997 801896309 /nfs/dbraw/zinc/89/63/09/801896309.db2.gz LFCPUBGFOCSQRS-IHRRRGAJSA-N 2 0 279.384 -0.393 20 30 CBEDRP CC[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001322041538 803853324 /nfs/dbraw/zinc/85/33/24/803853324.db2.gz HUXUAVJULPPOQL-WDEREUQCSA-N 2 0 283.376 -0.939 20 30 CBEDRP COCC#CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001323349531 804013571 /nfs/dbraw/zinc/01/35/71/804013571.db2.gz AGKSBXANBOMFAQ-KBPBESRZSA-N 2 0 279.384 -0.222 20 30 CBEDRP C=CC[N@@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587097 815036778 /nfs/dbraw/zinc/03/67/78/815036778.db2.gz DOZSMFLUNYFRBV-AWEZNQCLSA-N 2 0 299.415 -0.042 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151058178 815055372 /nfs/dbraw/zinc/05/53/72/815055372.db2.gz XCWGPOYEFPYOCV-OLZOCXBDSA-N 2 0 294.399 -0.569 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC001151241867 815067673 /nfs/dbraw/zinc/06/76/73/815067673.db2.gz ICSNEAIETXRBAR-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152136931 815106153 /nfs/dbraw/zinc/10/61/53/815106153.db2.gz JADCFDLRJYDGTL-BETUJISGSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOCCO)CC1 ZINC001152324367 815115071 /nfs/dbraw/zinc/11/50/71/815115071.db2.gz SKCMEPYQFFOZFT-UHFFFAOYSA-N 2 0 297.399 -0.954 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC#CCOC)CC1 ZINC001152324393 815115118 /nfs/dbraw/zinc/11/51/18/815115118.db2.gz UBPPEKQPHMIPJB-UHFFFAOYSA-N 2 0 291.395 -0.313 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)C(C)C)C1=O ZINC001152426947 815120620 /nfs/dbraw/zinc/12/06/20/815120620.db2.gz RAMVFRGGXSXHLG-ZDUSSCGKSA-N 2 0 296.415 -0.181 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155791537 815312990 /nfs/dbraw/zinc/31/29/90/815312990.db2.gz WJTPQIDSOFOHOP-ZDUSSCGKSA-N 2 0 267.373 -0.174 20 30 CBEDRP N#C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160636509 815647598 /nfs/dbraw/zinc/64/75/98/815647598.db2.gz HVOTXFHAHRXRGI-ZJUUUORDSA-N 2 0 256.375 -0.090 20 30 CBEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090815071 810569590 /nfs/dbraw/zinc/56/95/90/810569590.db2.gz MIDZRXDHMQPJCR-CHWSQXEVSA-N 2 0 267.373 -0.180 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974119 810981505 /nfs/dbraw/zinc/98/15/05/810981505.db2.gz NNMGBFZOCUXLIP-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973472 810981773 /nfs/dbraw/zinc/98/17/73/810981773.db2.gz DPLOELCLOJTLFX-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972544 810982210 /nfs/dbraw/zinc/98/22/10/810982210.db2.gz YKEYADAHEZLZNT-KGLIPLIRSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973471 810982732 /nfs/dbraw/zinc/98/27/32/810982732.db2.gz DPLOELCLOJTLFX-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986288 810983524 /nfs/dbraw/zinc/98/35/24/810983524.db2.gz IROHSXLUILOTCN-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064124 811010927 /nfs/dbraw/zinc/01/09/27/811010927.db2.gz IJOZLHCEHCOITD-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100636813 811070525 /nfs/dbraw/zinc/07/05/25/811070525.db2.gz MBKLYXSLBIUUQQ-UHFFFAOYSA-N 2 0 296.415 -0.275 20 30 CBEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157981298 815493574 /nfs/dbraw/zinc/49/35/74/815493574.db2.gz ALODMSWAEDBULY-OLZOCXBDSA-N 2 0 281.404 -0.194 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118373 812179513 /nfs/dbraw/zinc/17/95/13/812179513.db2.gz DLQPAVTZYPRZIV-IMRBUKKESA-N 2 0 265.357 -0.756 20 30 CBEDRP C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115118743 812179710 /nfs/dbraw/zinc/17/97/10/812179710.db2.gz KXQNAMCCYXIETF-IMRBUKKESA-N 2 0 267.373 -0.203 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158486181 815535503 /nfs/dbraw/zinc/53/55/03/815535503.db2.gz HJNULJBPAOCRRB-OLZOCXBDSA-N 2 0 265.357 -0.421 20 30 CBEDRP C=CCOC(=O)[C@@H](N)CC(=O)N(CC[NH3+])CC(F)(F)F ZINC001119304129 812748613 /nfs/dbraw/zinc/74/86/13/812748613.db2.gz GYUJCGYKARTVBB-QMMMGPOBSA-N 2 0 297.277 -0.217 20 30 CBEDRP C#CC[NH2+]CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC001121944776 813094330 /nfs/dbraw/zinc/09/43/30/813094330.db2.gz CVDGQKFLAYXSPU-ZDUSSCGKSA-N 2 0 267.373 -0.222 20 30 CBEDRP CN(C(=O)C#CC1CC[NH2+]CC1)C1(C[NH3+])CCOCC1 ZINC001122358187 813151978 /nfs/dbraw/zinc/15/19/78/813151978.db2.gz USQKRDOMQCBWNI-UHFFFAOYSA-N 2 0 279.384 -0.044 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124836387 813485782 /nfs/dbraw/zinc/48/57/82/813485782.db2.gz GFUXHYBHWXMVTB-LLVKDONJSA-N 2 0 268.361 -0.911 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124878852 813494650 /nfs/dbraw/zinc/49/46/50/813494650.db2.gz PWKCLRNJAFJEKX-GFCCVEGCSA-N 2 0 255.362 -0.011 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785074 813748896 /nfs/dbraw/zinc/74/88/96/813748896.db2.gz FKCXYYLBYNWCOY-QWHCGFSZSA-N 2 0 265.357 -0.421 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127780535 813749125 /nfs/dbraw/zinc/74/91/25/813749125.db2.gz ZQAHHKLUYRJMCV-UONOGXRCSA-N 2 0 295.383 -0.795 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129950193 813881594 /nfs/dbraw/zinc/88/15/94/813881594.db2.gz OFOGRVDYABZIBH-STQMWFEESA-N 2 0 298.431 -0.031 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947260 813882768 /nfs/dbraw/zinc/88/27/68/813882768.db2.gz RBVRRPWSVDVCIA-ZDUSSCGKSA-N 2 0 284.404 -0.419 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848834 814193453 /nfs/dbraw/zinc/19/34/53/814193453.db2.gz TVDDXUJUWLNSON-ZDUSSCGKSA-N 2 0 267.373 -0.175 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848833 814193643 /nfs/dbraw/zinc/19/36/43/814193643.db2.gz TVDDXUJUWLNSON-CYBMUJFWSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001132859131 814195967 /nfs/dbraw/zinc/19/59/67/814195967.db2.gz WWZGBYVYDQAVJH-LBPRGKRZSA-N 2 0 253.346 -0.565 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+](C)C)C1=O ZINC001133297405 814239046 /nfs/dbraw/zinc/23/90/46/814239046.db2.gz NDVSRRLHYIRUNQ-GFCCVEGCSA-N 2 0 282.388 -0.569 20 30 CBEDRP CC1(C)CC[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001133872968 814317466 /nfs/dbraw/zinc/31/74/66/814317466.db2.gz IZEHEAXBVUJVOE-UHFFFAOYSA-N 2 0 295.387 -0.936 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133968125 814331030 /nfs/dbraw/zinc/33/10/30/814331030.db2.gz OOVMYFYWMZTORU-NEPJUHHUSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114625 814439874 /nfs/dbraw/zinc/43/98/74/814439874.db2.gz KNAVFNOOVYVEAZ-UHFFFAOYSA-N 2 0 265.361 -0.050 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513138 814481699 /nfs/dbraw/zinc/48/16/99/814481699.db2.gz HJCUDSQZBXVHIX-LBPRGKRZSA-N 2 0 282.388 -0.828 20 30 CBEDRP CC1CC[NH+](CC(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001135707192 814513835 /nfs/dbraw/zinc/51/38/35/814513835.db2.gz ZKPITXJPSPFZME-UHFFFAOYSA-N 2 0 295.387 -0.936 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001160426123 815619017 /nfs/dbraw/zinc/61/90/17/815619017.db2.gz DPLIWFSWOKDGEU-AWEZNQCLSA-N 2 0 296.415 -0.582 20 30 CBEDRP N#C[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160880527 815684088 /nfs/dbraw/zinc/68/40/88/815684088.db2.gz YMNSVFWKNYZOJV-VXGBXAGGSA-N 2 0 278.356 -0.388 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001161032009 815701314 /nfs/dbraw/zinc/70/13/14/815701314.db2.gz ACZBFAOGRRBXSZ-CYBMUJFWSA-N 2 0 296.415 -0.131 20 30 CBEDRP N#Cc1ccc([C@H](C(=O)N2CC[NH2+]C2)N2CC[NH2+]CC2)cc1 ZINC001161419147 815754527 /nfs/dbraw/zinc/75/45/27/815754527.db2.gz ZYVXMWGBRJGHMD-OAHLLOKOSA-N 2 0 299.378 -0.106 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N(CC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC001161445282 815755434 /nfs/dbraw/zinc/75/54/34/815755434.db2.gz OEBLIVNZJRHUFZ-JSGCOSHPSA-N 3 0 266.389 -0.521 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)N2C[C@@H]([NH3+])C3(COC3)C2)C1 ZINC001161511338 815766310 /nfs/dbraw/zinc/76/63/10/815766310.db2.gz YUABWGHCBFGYAQ-PWSUYJOCSA-N 2 0 251.330 -0.519 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872254 815847766 /nfs/dbraw/zinc/84/77/66/815847766.db2.gz LXKCPKQRRHLSDT-NPCAHTBFSA-N 2 0 291.395 -0.031 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317126986 816935341 /nfs/dbraw/zinc/93/53/41/816935341.db2.gz CMPUZMIXHSAENM-BETUJISGSA-N 2 0 296.415 -0.134 20 30 CBEDRP COCC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317287761 816958752 /nfs/dbraw/zinc/95/87/52/816958752.db2.gz CVQOOWHWQGVQIV-STQMWFEESA-N 2 0 267.373 -0.318 20 30 CBEDRP CC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317599380 817028444 /nfs/dbraw/zinc/02/84/44/817028444.db2.gz UGCBYHCXCYZBDS-LLVKDONJSA-N 2 0 283.376 -0.986 20 30 CBEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320372899 817329460 /nfs/dbraw/zinc/32/94/60/817329460.db2.gz RSPOOXCRSIGFDT-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164539116 819923984 /nfs/dbraw/zinc/92/39/84/819923984.db2.gz SNGZPBHECUADET-CYBMUJFWSA-N 2 0 267.373 -0.175 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C1CC[NH+](C)CC1 ZINC001165771898 819982378 /nfs/dbraw/zinc/98/23/78/819982378.db2.gz FHOQQDWONWFWGN-UHFFFAOYSA-N 2 0 296.415 -0.274 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[NH+](C)C ZINC001165788539 819984139 /nfs/dbraw/zinc/98/41/39/819984139.db2.gz QELQKTJURQHRHF-GFCCVEGCSA-N 2 0 282.388 -0.828 20 30 CBEDRP C[C@@H]1CCC[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001166634224 820008967 /nfs/dbraw/zinc/00/89/67/820008967.db2.gz RHBIAANHWYDHGU-GFCCVEGCSA-N 2 0 295.387 -0.794 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166633142 820009679 /nfs/dbraw/zinc/00/96/79/820009679.db2.gz AHOYHNQZOCVXDB-CYBMUJFWSA-N 2 0 296.415 -0.131 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166668021 820013260 /nfs/dbraw/zinc/01/32/60/820013260.db2.gz OKHOMNQKQFAWCB-CYBMUJFWSA-N 2 0 296.415 -0.274 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001166695021 820015593 /nfs/dbraw/zinc/01/55/93/820015593.db2.gz ZMDRIGRNBLRMBM-OLZOCXBDSA-N 2 0 294.399 -0.971 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001166714166 820017771 /nfs/dbraw/zinc/01/77/71/820017771.db2.gz HCYALXDLVYSJPV-ZIAGYGMSSA-N 2 0 281.400 -0.070 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166857720 820042349 /nfs/dbraw/zinc/04/23/49/820042349.db2.gz IAYFZLQSKFZMKS-LBPRGKRZSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168747334 820172432 /nfs/dbraw/zinc/17/24/32/820172432.db2.gz HWEWMTOCSMDPQV-UHFFFAOYSA-N 2 0 284.404 -0.274 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171216397 820351873 /nfs/dbraw/zinc/35/18/73/820351873.db2.gz HXJXTRUENVCFNO-CYBMUJFWSA-N 2 0 294.399 -0.827 20 30 CBEDRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001171219466 820352184 /nfs/dbraw/zinc/35/21/84/820352184.db2.gz XKLIOXUKYZVBPD-LBPRGKRZSA-N 2 0 295.387 -0.936 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001181651360 820806948 /nfs/dbraw/zinc/80/69/48/820806948.db2.gz BJICONSLWOYHML-ZIAGYGMSSA-N 2 0 279.384 -0.079 20 30 CBEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@H]1C[N@@H+](C)CCN1C ZINC001185266770 821119390 /nfs/dbraw/zinc/11/93/90/821119390.db2.gz FXZLAPKMUJHYNF-UONOGXRCSA-N 2 0 280.416 -0.001 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401211 821128067 /nfs/dbraw/zinc/12/80/67/821128067.db2.gz MRQSBGPTMONZJX-QWHCGFSZSA-N 2 0 294.399 -0.734 20 30 CBEDRP CC[NH+](CC)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001186451119 821182696 /nfs/dbraw/zinc/18/26/96/821182696.db2.gz BUPDOVDVVVHXIH-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280668375 828370665 /nfs/dbraw/zinc/37/06/65/828370665.db2.gz LWHBJALNBUYKLP-KGLIPLIRSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001281254107 828410653 /nfs/dbraw/zinc/41/06/53/828410653.db2.gz CTJBAVIKZIZTMB-CYBMUJFWSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCO)CC1 ZINC001282241382 828439435 /nfs/dbraw/zinc/43/94/35/828439435.db2.gz KNXKDSOBLWILTD-OLZOCXBDSA-N 2 0 281.400 -0.193 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C1CCC1 ZINC001283763678 828545386 /nfs/dbraw/zinc/54/53/86/828545386.db2.gz IRKQCKXNAOHRRB-ZDUSSCGKSA-N 2 0 297.399 -0.813 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)CCC[NH+]1CCCC1 ZINC001283832564 828555965 /nfs/dbraw/zinc/55/59/65/828555965.db2.gz UVDJPUZIYZPFCJ-CYBMUJFWSA-N 2 0 267.373 -0.438 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001284428604 828594478 /nfs/dbraw/zinc/59/44/78/828594478.db2.gz HCCDHRCOIWJXLF-ZDUSSCGKSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCN1C[C@@H](O)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001194236265 824064848 /nfs/dbraw/zinc/06/48/48/824064848.db2.gz ZWVYVFLGFGQJBP-VXGBXAGGSA-N 2 0 267.373 -0.489 20 30 CBEDRP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195860001 824135118 /nfs/dbraw/zinc/13/51/18/824135118.db2.gz RAIZHFZTMXPGAS-VXGBXAGGSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197536018 824194936 /nfs/dbraw/zinc/19/49/36/824194936.db2.gz HBFDDHGHSDWVSA-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197950153 824211046 /nfs/dbraw/zinc/21/10/46/824211046.db2.gz VQVOCKZFLGULTL-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001215455689 824542458 /nfs/dbraw/zinc/54/24/58/824542458.db2.gz BTKHVPLKXXUFDM-CHWSQXEVSA-N 2 0 294.399 -0.876 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832322 824562462 /nfs/dbraw/zinc/56/24/62/824562462.db2.gz NNPWZUWUICBYJV-QWQWKMKNSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]C[C@H]1O)C[NH2+]CC2 ZINC001218553089 824590059 /nfs/dbraw/zinc/59/00/59/824590059.db2.gz NBRYTQLSAUFXDC-VHSXEESVSA-N 2 0 292.364 -0.216 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[NH2+]C[C@@H]1O)C[NH2+]CC2 ZINC001218553093 824590391 /nfs/dbraw/zinc/59/03/91/824590391.db2.gz NBRYTQLSAUFXDC-ZJUUUORDSA-N 2 0 292.364 -0.216 20 30 CBEDRP N#Cc1cc[nH]c1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218655066 824617407 /nfs/dbraw/zinc/61/74/07/824617407.db2.gz QUZDWTCKKNRAGO-QMMMGPOBSA-N 2 0 253.331 -0.156 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])Cc2cnc[nH]2)c(C#C)n1 ZINC001218657350 824617905 /nfs/dbraw/zinc/61/79/05/824617905.db2.gz JSCTYGAUQNZQDG-NSHDSACASA-N 2 0 280.291 -0.329 20 30 CBEDRP Cn1cc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c(C#N)n1 ZINC001218669243 824620228 /nfs/dbraw/zinc/62/02/28/824620228.db2.gz YGGSMRCTSMJCBK-QMMMGPOBSA-N 2 0 260.301 -0.961 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218701734 824625387 /nfs/dbraw/zinc/62/53/87/824625387.db2.gz YHZVMWCQNXVLPO-LLVKDONJSA-N 2 0 289.343 -0.963 20 30 CBEDRP N=C(c1ccccc1N)N(O)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218966644 824651205 /nfs/dbraw/zinc/65/12/05/824651205.db2.gz VPLJWECYZNQNRI-JTQLQIEISA-N 2 0 289.339 -0.379 20 30 CBEDRP N=C(c1ccccc1N)N(O)C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218966645 824651308 /nfs/dbraw/zinc/65/13/08/824651308.db2.gz VPLJWECYZNQNRI-SNVBAGLBSA-N 2 0 289.339 -0.379 20 30 CBEDRP N#Cc1cc(N)c(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)cc1C#N ZINC001218987272 824651631 /nfs/dbraw/zinc/65/16/31/824651631.db2.gz LBLALGROOCVFID-NSHDSACASA-N 2 0 296.334 -0.240 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)C1 ZINC001219619410 824858967 /nfs/dbraw/zinc/85/89/67/824858967.db2.gz HJQFTVDOGSCNSU-WCFLWFBJSA-N 2 0 271.336 -0.527 20 30 CBEDRP N#CC1(CNC(=O)[C@@H]([NH3+])CSCC[NH3+])CCC1 ZINC001219632878 824866570 /nfs/dbraw/zinc/86/65/70/824866570.db2.gz SGCVGNLXCMMBAJ-VIFPVBQESA-N 2 0 256.375 -0.184 20 30 CBEDRP [NH3+][C@H](CN1CCC([NH3+])CC1)C(=O)NC1=CC(=O)CCC1 ZINC001219885475 824908946 /nfs/dbraw/zinc/90/89/46/824908946.db2.gz QIQXKZZXUGBYMZ-CYBMUJFWSA-N 2 0 280.372 -0.510 20 30 CBEDRP CC(=O)/C=C(/C)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219912367 824913273 /nfs/dbraw/zinc/91/32/73/824913273.db2.gz YHWSHMJWBLUQCC-ZVTBTPLYSA-N 2 0 268.361 -0.654 20 30 CBEDRP N#CNC(=NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)c1ccncc1 ZINC001219971855 824925791 /nfs/dbraw/zinc/92/57/91/824925791.db2.gz CQYDPDYUTHIKFN-LLVKDONJSA-N 2 0 284.323 -0.766 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001220043228 824942134 /nfs/dbraw/zinc/94/21/34/824942134.db2.gz JZSFDVSAIWTFPS-IUODEOHRSA-N 2 0 294.399 -0.616 20 30 CBEDRP N#C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220094911 824953831 /nfs/dbraw/zinc/95/38/31/824953831.db2.gz MSCKLBLRGUYVET-IJLUTSLNSA-N 2 0 262.357 -0.006 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220237344 824991452 /nfs/dbraw/zinc/99/14/52/824991452.db2.gz TYSOGCWDRSICGR-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276589 825003131 /nfs/dbraw/zinc/00/31/31/825003131.db2.gz FULBRZCJSXMCGE-NEPJUHHUSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CO[C@@]2(C1)CCC[NH2+]C2 ZINC001220319130 825013656 /nfs/dbraw/zinc/01/36/56/825013656.db2.gz DFUSGPFKAHZMAD-WCFLWFBJSA-N 2 0 251.330 -0.636 20 30 CBEDRP [NH3+]CCC[C@@H]([NH3+])C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343205 825020165 /nfs/dbraw/zinc/02/01/65/825020165.db2.gz GFSJXLSKGJBEKQ-MXTDHUQFSA-N 2 0 253.224 -0.186 20 30 CBEDRP C=CCN1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](O)C1 ZINC001220375855 825023463 /nfs/dbraw/zinc/02/34/63/825023463.db2.gz HPPWSCGCJUGFBJ-WOPDTQHZSA-N 2 0 255.362 -0.326 20 30 CBEDRP CC(C)(S)CNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220487530 825047806 /nfs/dbraw/zinc/04/78/06/825047806.db2.gz UZPWIQRBTPOAFQ-SNVBAGLBSA-N 2 0 274.434 -0.439 20 30 CBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220571770 825065431 /nfs/dbraw/zinc/06/54/31/825065431.db2.gz ZHHPAFFYWVWNNH-XUJVJEKNSA-N 2 0 295.383 -0.063 20 30 CBEDRP COC(=O)c1ccc(C(=N)NC(=O)C[NH2+]CCC[NH3+])cc1 ZINC001220579312 825069247 /nfs/dbraw/zinc/06/92/47/825069247.db2.gz NJOXSRNQFBEZMM-UHFFFAOYSA-N 2 0 292.339 -0.357 20 30 CBEDRP N#Cc1cnc(CNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001220872270 825117289 /nfs/dbraw/zinc/11/72/89/825117289.db2.gz RETCFSXAQORWTQ-VIFPVBQESA-N 2 0 277.353 -0.560 20 30 CBEDRP N#Cc1ccc(CNC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001221089631 825143570 /nfs/dbraw/zinc/14/35/70/825143570.db2.gz UMIRVJKPWDXKDL-CYBMUJFWSA-N 2 0 273.340 -0.104 20 30 CBEDRP N#CC1(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)Cc2ccccc2C1 ZINC001221367330 825175728 /nfs/dbraw/zinc/17/57/28/825175728.db2.gz PQCKFRQCHFFHHT-CQSZACIVSA-N 2 0 296.374 -0.027 20 30 CBEDRP C=CC[C@@](C)(NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)OC ZINC001221381819 825180678 /nfs/dbraw/zinc/18/06/78/825180678.db2.gz JWSHOFHZUNWKCQ-BXKDBHETSA-N 2 0 257.334 -0.323 20 30 CBEDRP N#Cc1ccc(CN2CC[NH2+]CCNCC[NH2+]CC2)nc1 ZINC001235870595 825516888 /nfs/dbraw/zinc/51/68/88/825516888.db2.gz OOEDWTACDPHSKT-UHFFFAOYSA-N 2 0 288.399 -0.462 20 30 CBEDRP N#Cc1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)ccn1 ZINC001235874129 825517627 /nfs/dbraw/zinc/51/76/27/825517627.db2.gz LBPDDONMLKMVRU-UHFFFAOYSA-N 2 0 288.399 -0.462 20 30 CBEDRP C[C@H](C#N)S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239075 825549604 /nfs/dbraw/zinc/54/96/04/825549604.db2.gz BMNMHFUPUWCABL-MNOVXSKESA-N 2 0 286.401 -0.308 20 30 CBEDRP N#C[C@]1(NS(=O)(=O)CC2CC[NH2+]CC2)CC[NH2+]C1 ZINC001238396541 825553500 /nfs/dbraw/zinc/55/35/00/825553500.db2.gz QSYALKLCRMJAIO-LLVKDONJSA-N 2 0 272.374 -0.839 20 30 CBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]CC1(O)CC[NH2+]CC1 ZINC001246002718 825619242 /nfs/dbraw/zinc/61/92/42/825619242.db2.gz RNOSESNTEUEODZ-ZDUSSCGKSA-N 2 0 299.415 -0.083 20 30 CBEDRP C=CCOC[C@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028097 825625708 /nfs/dbraw/zinc/62/57/08/825625708.db2.gz ZYAJICSCFWORIS-CHWSQXEVSA-N 2 0 258.362 -0.274 20 30 CBEDRP C=CCOC[C@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246025480 825625999 /nfs/dbraw/zinc/62/59/99/825625999.db2.gz YNYGFVFYEXHNIL-CHWSQXEVSA-N 2 0 258.362 -0.274 20 30 CBEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246025501 825626795 /nfs/dbraw/zinc/62/67/95/825626795.db2.gz YNYGFVFYEXHNIL-STQMWFEESA-N 2 0 258.362 -0.274 20 30 CBEDRP C=C[C@@](C)(O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246052029 825630541 /nfs/dbraw/zinc/63/05/41/825630541.db2.gz AJNIKUKCWOXTEF-CYBMUJFWSA-N 2 0 256.394 -0.992 20 30 CBEDRP N#C[C@@H]1C[C@@H]([NH2+]C[C@]2(O)CC[NH2+]C[C@@H]2F)CCN1 ZINC001246086513 825634616 /nfs/dbraw/zinc/63/46/16/825634616.db2.gz CXLZDESSFTWVGF-FIQHERPVSA-N 2 0 256.325 -0.717 20 30 CBEDRP C#CCCN1CCC[C@@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246347505 825667260 /nfs/dbraw/zinc/66/72/60/825667260.db2.gz UDOGDBVPXLOYNY-UONOGXRCSA-N 2 0 290.411 -0.316 20 30 CBEDRP C#CCOC[C@@H](O)CN1C[C@@H]2C[N@H+](CC)CCO[C@@H]2C1 ZINC001251844416 825794287 /nfs/dbraw/zinc/79/42/87/825794287.db2.gz RIPNTSNYIPGHFX-SOUVJXGZSA-N 2 0 282.384 -0.350 20 30 CBEDRP C#CCOC[C@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001251848165 825796151 /nfs/dbraw/zinc/79/61/51/825796151.db2.gz VEGYSMMGOWZODJ-CQSZACIVSA-N 2 0 271.405 -0.578 20 30 CBEDRP CC(C)(C[NH3+])NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001262034866 826626797 /nfs/dbraw/zinc/62/67/97/826626797.db2.gz QIAFMXDFZWEBMS-QUNCOHTASA-N 2 0 250.346 -0.021 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCN2C)CC1 ZINC001263100206 826737098 /nfs/dbraw/zinc/73/70/98/826737098.db2.gz HZDWMNPRQVJVJB-ZDUSSCGKSA-N 2 0 266.389 -0.343 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC001263099944 826737177 /nfs/dbraw/zinc/73/71/77/826737177.db2.gz YZGAWFNGVYAQDS-UHFFFAOYSA-N 2 0 288.351 -0.038 20 30 CBEDRP C#CC[NH2+]CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC001263178230 826749372 /nfs/dbraw/zinc/74/93/72/826749372.db2.gz GXHZYOQNGQIUQH-BDAKNGLRSA-N 2 0 263.263 -0.195 20 30 CBEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001265240198 826861863 /nfs/dbraw/zinc/86/18/63/826861863.db2.gz JNLFYACOVSZLDT-HNNXBMFYSA-N 2 0 292.427 -0.162 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001265789983 826918527 /nfs/dbraw/zinc/91/85/27/826918527.db2.gz CNJGDRDCOALWIY-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001265895466 826935462 /nfs/dbraw/zinc/93/54/62/826935462.db2.gz LZWBHMCBCPTCEB-QWHCGFSZSA-N 2 0 294.399 -0.427 20 30 CBEDRP C#CCN1CC[NH+](CCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001266277652 826970660 /nfs/dbraw/zinc/97/06/60/826970660.db2.gz KWOCEZUMZWUWFL-OAHLLOKOSA-N 2 0 292.427 -0.305 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001266928212 827087448 /nfs/dbraw/zinc/08/74/48/827087448.db2.gz QBJFDSZJCBCTPY-NWDGAFQWSA-N 2 0 282.388 -0.523 20 30 CBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267455691 827173706 /nfs/dbraw/zinc/17/37/06/827173706.db2.gz BZCURJUWKHCGKU-LBPRGKRZSA-N 2 0 295.387 -0.984 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001267964479 827235631 /nfs/dbraw/zinc/23/56/31/827235631.db2.gz VSDTYGXADHVUKU-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001268307688 827290261 /nfs/dbraw/zinc/29/02/61/827290261.db2.gz HTJRZMVGTKRPEK-NSHDSACASA-N 2 0 253.346 -0.829 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001268320990 827298061 /nfs/dbraw/zinc/29/80/61/827298061.db2.gz FHAPFKZAGVOCMA-CQSZACIVSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422752 827324401 /nfs/dbraw/zinc/32/44/01/827324401.db2.gz HNFPMFAUCASSLO-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP COCC#CCN1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001269193500 827473997 /nfs/dbraw/zinc/47/39/97/827473997.db2.gz MBWYGBDOEPWMNW-CQSZACIVSA-N 2 0 279.384 -0.078 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271208308 827676288 /nfs/dbraw/zinc/67/62/88/827676288.db2.gz IRLAFFHDFRZQDY-GOEBONIOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272505803 827810096 /nfs/dbraw/zinc/81/00/96/827810096.db2.gz ZTDPVZHJMDANCP-AVGNSLFASA-N 2 0 267.373 -0.583 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001272537762 827817251 /nfs/dbraw/zinc/81/72/51/827817251.db2.gz XMZVETNMHJIGNC-ZDUSSCGKSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=C[C@@H](O)C[N@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880317 827936343 /nfs/dbraw/zinc/93/63/43/827936343.db2.gz AHXWJBXNCIGPTF-UKRRQHHQSA-N 2 0 297.399 -0.602 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001274689971 828019945 /nfs/dbraw/zinc/01/99/45/828019945.db2.gz OXVGXDKFUNSQMQ-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001274798111 828032544 /nfs/dbraw/zinc/03/25/44/828032544.db2.gz XBHUFBFQGCYGPT-YPMHNXCESA-N 2 0 297.403 -0.693 20 30 CBEDRP C#CC[NH+]1CCC(CO)(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001274936707 828043270 /nfs/dbraw/zinc/04/32/70/828043270.db2.gz MPFSVBFQFMGLRW-UHFFFAOYSA-N 2 0 291.395 -0.342 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC ZINC001275184801 828063968 /nfs/dbraw/zinc/06/39/68/828063968.db2.gz IFUWAYVOEWUFDZ-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001275800802 828116028 /nfs/dbraw/zinc/11/60/28/828116028.db2.gz LFSAETMGXWHXBF-UONOGXRCSA-N 2 0 297.399 -0.597 20 30 CBEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001275802406 828116206 /nfs/dbraw/zinc/11/62/06/828116206.db2.gz ZZTXJVWSBXGLAC-NWDGAFQWSA-N 2 0 253.346 -0.613 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001277060547 828174162 /nfs/dbraw/zinc/17/41/62/828174162.db2.gz PIMUFCZJQVHCNM-UHFFFAOYSA-N 2 0 289.383 -0.070 20 30 CBEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001278146216 828251877 /nfs/dbraw/zinc/25/18/77/828251877.db2.gz DUPNQWFIMVRDIL-CYBMUJFWSA-N 2 0 269.389 -0.029 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001278140168 828251917 /nfs/dbraw/zinc/25/19/17/828251917.db2.gz YNCSDQJPIVAMAC-LBPRGKRZSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CCC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001326072855 884896082 /nfs/dbraw/zinc/89/60/82/884896082.db2.gz AXIDNLAPLRPVMW-AWEZNQCLSA-N 2 0 281.400 -0.096 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001331738296 886944920 /nfs/dbraw/zinc/94/49/20/886944920.db2.gz FWUYVLTWHQJENR-NWDGAFQWSA-N 2 0 255.362 -0.583 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001331738425 886947094 /nfs/dbraw/zinc/94/70/94/886947094.db2.gz AUCFSJIUXWZBFM-LBPRGKRZSA-N 2 0 267.373 -0.133 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCC[NH2+]CC1)C2 ZINC001336978196 888941745 /nfs/dbraw/zinc/94/17/45/888941745.db2.gz QWQYOXQPAYREKC-LXVYMNJGSA-N 2 0 262.357 -0.052 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC001340880386 889504342 /nfs/dbraw/zinc/50/43/42/889504342.db2.gz NBWDDIMMHDWCCH-UHFFFAOYSA-N 2 0 266.389 -0.649 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC12CCC2 ZINC001340907993 889513339 /nfs/dbraw/zinc/51/33/39/889513339.db2.gz OARQYWLAOBQVMK-WOPDTQHZSA-N 2 0 262.357 -0.006 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC001342176973 889726256 /nfs/dbraw/zinc/72/62/56/889726256.db2.gz VLPUTXRKTIMPDE-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC001343426544 889907497 /nfs/dbraw/zinc/90/74/97/889907497.db2.gz XYLOWXLLTLAMSG-UHFFFAOYSA-N 2 0 294.399 -0.732 20 30 CBEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278821684 884822250 /nfs/dbraw/zinc/82/22/50/884822250.db2.gz MHFWSPQKAKBCAL-JSGCOSHPSA-N 2 0 267.373 -0.323 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326979185 885210759 /nfs/dbraw/zinc/21/07/59/885210759.db2.gz NSUPYALRQTWLFL-LSDHHAIUSA-N 2 0 291.395 -0.222 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCO1 ZINC001327129698 885264285 /nfs/dbraw/zinc/26/42/85/885264285.db2.gz AUDNLMHZXJVAJV-MNOVXSKESA-N 2 0 254.334 -0.498 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328477282 885701584 /nfs/dbraw/zinc/70/15/84/885701584.db2.gz JDGMGXRLNRRZJG-LLVKDONJSA-N 2 0 266.345 -0.402 20 30 CBEDRP C[NH+]1CCN(CCCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001329936534 886286014 /nfs/dbraw/zinc/28/60/14/886286014.db2.gz HQMMBNHKJGQBAE-UHFFFAOYSA-N 2 0 292.427 -0.257 20 30 CBEDRP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330447965 886449968 /nfs/dbraw/zinc/44/99/68/886449968.db2.gz WELKHCYTMUNFIA-UONOGXRCSA-N 2 0 279.384 -0.079 20 30 CBEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001330876319 886611017 /nfs/dbraw/zinc/61/10/17/886611017.db2.gz KPXDQYBRUBYBFL-CKXPHIRYSA-N 2 0 262.357 -0.008 20 30 CBEDRP C[NH+](C)CCOCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001330879688 886612486 /nfs/dbraw/zinc/61/24/86/886612486.db2.gz KOYZVFDPUYNKEM-JVWICGRDSA-N 2 0 294.399 -0.180 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1[C@H]3C[NH2+]C[C@H]31)C2 ZINC001330880695 886612922 /nfs/dbraw/zinc/61/29/22/886612922.db2.gz UOEZAYVCEJLRBG-JKBZXDQKSA-N 2 0 260.341 -0.540 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001331841367 887008894 /nfs/dbraw/zinc/00/88/94/887008894.db2.gz MAVGAMCCTGMLAU-KBPBESRZSA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001331841369 887009563 /nfs/dbraw/zinc/00/95/63/887009563.db2.gz MAVGAMCCTGMLAU-KGLIPLIRSA-N 2 0 281.400 -0.193 20 30 CBEDRP C[C@@H](C[NH3+])N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331957192 887060631 /nfs/dbraw/zinc/06/06/31/887060631.db2.gz IQSWAOLUPUYGQN-URAGZPLESA-N 2 0 250.346 -0.069 20 30 CBEDRP C[C@H](C[NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331968417 887069472 /nfs/dbraw/zinc/06/94/72/887069472.db2.gz IIHHWAIPIOIKHK-JJOYANBFSA-N 2 0 250.346 -0.163 20 30 CBEDRP C#CC[C@@H](CO)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC001332009628 887081615 /nfs/dbraw/zinc/08/16/15/887081615.db2.gz HYVAIKQCVWJVNS-INIZCTEOSA-N 2 0 295.427 -0.243 20 30 CBEDRP C=CC[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001332358223 887220468 /nfs/dbraw/zinc/22/04/68/887220468.db2.gz YIAFOJIDGUFFSY-QWHCGFSZSA-N 2 0 257.378 -0.879 20 30 CBEDRP C=CC[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001332358222 887221315 /nfs/dbraw/zinc/22/13/15/887221315.db2.gz YIAFOJIDGUFFSY-OLZOCXBDSA-N 2 0 257.378 -0.879 20 30 CBEDRP C[NH+]1CCN(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC001335317697 888497325 /nfs/dbraw/zinc/49/73/25/888497325.db2.gz PPKGNDWPBFVAJR-ZDUSSCGKSA-N 2 0 266.389 -0.122 20 30 CBEDRP C#C[C@@H](CCC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336812562 888891649 /nfs/dbraw/zinc/89/16/49/888891649.db2.gz ZHAGRBJCTQFLCH-KBPBESRZSA-N 2 0 253.390 -0.014 20 30 CBEDRP C#CC[NH2+]CC(=O)N[C@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001341653575 889640576 /nfs/dbraw/zinc/64/05/76/889640576.db2.gz VPNIMIFILCYRGL-GFCCVEGCSA-N 2 0 265.357 -0.516 20 30 CBEDRP [NH3+][C@@]1(CO)CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001342629927 889804745 /nfs/dbraw/zinc/80/47/45/889804745.db2.gz YBXXAVCJYPZRFS-AWEZNQCLSA-N 2 0 265.357 -0.698 20 30 CBEDRP C#CC[NH+](C)CCCNC(=O)[C@H]1C[N@H+]2CCN1C[C@H]2C ZINC001347639612 890489765 /nfs/dbraw/zinc/48/97/65/890489765.db2.gz QXNBVGAZDFEBJS-ZIAGYGMSSA-N 2 0 278.400 -0.554 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001351154641 891114699 /nfs/dbraw/zinc/11/46/99/891114699.db2.gz FVKVWZLREVNGDB-QJPTWQEYSA-N 2 0 250.346 -0.006 20 30 CBEDRP C[C@H]([NH3+])CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001353067096 891355216 /nfs/dbraw/zinc/35/52/16/891355216.db2.gz CHMUQRZQRKGPGA-MSLYCWSTSA-N 2 0 250.346 -0.069 20 30 CBEDRP C[C@@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]C1 ZINC001353067182 891356302 /nfs/dbraw/zinc/35/63/02/891356302.db2.gz DRAXCXVUPWNTQW-BGZAYEDQSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001354261079 891551261 /nfs/dbraw/zinc/55/12/61/891551261.db2.gz ZVJHFDBVFLZVSD-MNOVXSKESA-N 2 0 253.346 -0.083 20 30 CBEDRP C#CCn1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cn1 ZINC001357167410 891855741 /nfs/dbraw/zinc/85/57/41/891855741.db2.gz VGXAFLRKJLVRKF-OAHLLOKOSA-N 2 0 291.399 -0.786 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001357391856 891881323 /nfs/dbraw/zinc/88/13/23/891881323.db2.gz NDZFEDCEVDPBKX-ZDUSSCGKSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001357391855 891883563 /nfs/dbraw/zinc/88/35/63/891883563.db2.gz NDZFEDCEVDPBKX-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001357413384 891889452 /nfs/dbraw/zinc/88/94/52/891889452.db2.gz IHXLUYYJFDPJCG-CYBMUJFWSA-N 2 0 279.384 -0.174 20 30 CBEDRP C[NH+]1CCC(OCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC001357446657 891894892 /nfs/dbraw/zinc/89/48/92/891894892.db2.gz UBTYNYOBYSEELY-JQWIXIFHSA-N 2 0 266.345 -0.675 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507478068 921841712 /nfs/dbraw/zinc/84/17/12/921841712.db2.gz DZTBPRPBFQCYDJ-MGPQQGTHSA-N 2 0 281.400 -0.241 20 30 CBEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001503133399 921406470 /nfs/dbraw/zinc/40/64/70/921406470.db2.gz ASAGXUMYWVTLPD-NWDGAFQWSA-N 2 0 253.346 -0.565 20 30 CBEDRP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001503133400 921407163 /nfs/dbraw/zinc/40/71/63/921407163.db2.gz ASAGXUMYWVTLPD-RYUDHWBXSA-N 2 0 253.346 -0.565 20 30 CBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)CC[NH+](C)C ZINC001505683268 921467730 /nfs/dbraw/zinc/46/77/30/921467730.db2.gz ZAGIADQMGDSPSI-MNOVXSKESA-N 2 0 283.376 -0.939 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001507064443 921665043 /nfs/dbraw/zinc/66/50/43/921665043.db2.gz VNFCCVGPPQVKFA-CHWSQXEVSA-N 2 0 296.415 -0.181 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001507200137 921736893 /nfs/dbraw/zinc/73/68/93/921736893.db2.gz DOMSBOVYIVBHSP-VXGBXAGGSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507263635 921790235 /nfs/dbraw/zinc/79/02/35/921790235.db2.gz ARMLOWGKBUGUQO-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC001477869476 916019335 /nfs/dbraw/zinc/01/93/35/916019335.db2.gz YMJGDLJYJXXDAD-CQSZACIVSA-N 2 0 295.431 -0.514 20 30 CBEDRP C[NH+](C)CCCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480619551 916495752 /nfs/dbraw/zinc/49/57/52/916495752.db2.gz CQANOSMFSSXRMU-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480658366 916513821 /nfs/dbraw/zinc/51/38/21/916513821.db2.gz DBIGDMZMDUWZCG-ZDUSSCGKSA-N 2 0 294.399 -0.874 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001481840625 917002282 /nfs/dbraw/zinc/00/22/82/917002282.db2.gz LIKVBXZBKINZMD-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001482742526 917246255 /nfs/dbraw/zinc/24/62/55/917246255.db2.gz RWRFWUOCSLHLAC-CHWSQXEVSA-N 2 0 267.373 -0.439 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483116155 917417717 /nfs/dbraw/zinc/41/77/17/917417717.db2.gz CPYLLACIDYDJPR-OLZOCXBDSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001484872309 917955595 /nfs/dbraw/zinc/95/55/95/917955595.db2.gz YTIOFRTUAMYEQT-CYBMUJFWSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053199 918345202 /nfs/dbraw/zinc/34/52/02/918345202.db2.gz WCCDCIDLMICYGT-NEPJUHHUSA-N 2 0 255.362 -0.419 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001486053200 918346312 /nfs/dbraw/zinc/34/63/12/918346312.db2.gz WCCDCIDLMICYGT-NWDGAFQWSA-N 2 0 255.362 -0.419 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001486053366 918349512 /nfs/dbraw/zinc/34/95/12/918349512.db2.gz ZMMYPMQMQGPIML-STQMWFEESA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)CCC[NH+]1CCCC1 ZINC001486066362 918355825 /nfs/dbraw/zinc/35/58/25/918355825.db2.gz OVTLKMIAERZRPP-CQSZACIVSA-N 2 0 281.400 -0.048 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)CCC ZINC001486313695 918423792 /nfs/dbraw/zinc/42/37/92/918423792.db2.gz FJVBWZYWSRCZOU-ZDUSSCGKSA-N 2 0 269.389 -0.240 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490829431 918976883 /nfs/dbraw/zinc/97/68/83/918976883.db2.gz MLTXOTVLOIJTJP-QWHCGFSZSA-N 2 0 294.399 -0.734 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793833 919619635 /nfs/dbraw/zinc/61/96/35/919619635.db2.gz NHFFZZLYSXJRQY-QWHCGFSZSA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@H](C)O)CC1 ZINC001493805962 919624864 /nfs/dbraw/zinc/62/48/64/919624864.db2.gz CBJCRLDESHQPTF-ZDUSSCGKSA-N 2 0 281.400 -0.240 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)CCC[NH+]1CCCCC1 ZINC001497110366 920250878 /nfs/dbraw/zinc/25/08/78/920250878.db2.gz LAZIOBPEFQZSGR-AWEZNQCLSA-N 2 0 281.400 -0.048 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)C1=O ZINC001498106807 920482613 /nfs/dbraw/zinc/48/26/13/920482613.db2.gz WQTBOKSSNCFJBO-QWHCGFSZSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498168345 920509102 /nfs/dbraw/zinc/50/91/02/920509102.db2.gz OXWBUIHKUYTDFB-GXTWGEPZSA-N 2 0 296.415 -0.584 20 30 CBEDRP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001498528838 920602094 /nfs/dbraw/zinc/60/20/94/920602094.db2.gz IGTKJCNUQFGYLM-GFCCVEGCSA-N 2 0 255.362 -0.059 20 30 CBEDRP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001499311142 920734209 /nfs/dbraw/zinc/73/42/09/920734209.db2.gz ZFVMBDQZOHWUQX-CYBMUJFWSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500687008 920854953 /nfs/dbraw/zinc/85/49/53/920854953.db2.gz QELGJXUHZDVQRM-AWEZNQCLSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500724624 920865971 /nfs/dbraw/zinc/86/59/71/920865971.db2.gz GNORSRUHXMBRFK-ZFWWWQNUSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507569768 921867579 /nfs/dbraw/zinc/86/75/79/921867579.db2.gz WVAMVHKRBZYWOU-GFCCVEGCSA-N 2 0 255.362 -0.631 20 30 CBEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001507598062 921879521 /nfs/dbraw/zinc/87/95/21/921879521.db2.gz DBQNQIPPAXINEZ-KGLIPLIRSA-N 2 0 281.400 -0.145 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001521504590 922363472 /nfs/dbraw/zinc/36/34/72/922363472.db2.gz YVNVAOGMLCVFAN-CQSZACIVSA-N 2 0 278.400 -0.552 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCSCCC[NH3+] ZINC001521511525 922364105 /nfs/dbraw/zinc/36/41/05/922364105.db2.gz BSQPUXRRVYWPDI-ZJUUUORDSA-N 2 0 256.375 -0.314 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCSCCC[NH3+] ZINC001521511523 922365727 /nfs/dbraw/zinc/36/57/27/922365727.db2.gz BSQPUXRRVYWPDI-UWVGGRQHSA-N 2 0 256.375 -0.314 20 30 CBEDRP C=CC[NH+](CC=C)[C@@H](CNC(=O)CNC(=O)C[NH3+])C(C)C ZINC000274467444 352538814 /nfs/dbraw/zinc/53/88/14/352538814.db2.gz WLMHSAJHNSBLLJ-ZDUSSCGKSA-N 2 0 296.415 -0.124 20 30 CBEDRP C=CCNC(=O)NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000063165948 351579099 /nfs/dbraw/zinc/57/90/99/351579099.db2.gz LCMGTSGMNYJNEJ-UHFFFAOYSA-N 2 0 268.361 -0.070 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](C)CO)CC1 ZINC000305697682 352749803 /nfs/dbraw/zinc/74/98/03/352749803.db2.gz AQMYFGXEUDGQDS-LBPRGKRZSA-N 2 0 253.346 -0.924 20 30 CBEDRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1C ZINC000329355366 352789133 /nfs/dbraw/zinc/78/91/33/352789133.db2.gz GPJCTKXOSCBFHL-CHWSQXEVSA-N 2 0 283.420 -0.170 20 30 CBEDRP C[C@]1(O)CC[NH+](CC#CC[N@H+]2CC[C@](C)(O)C2)C1 ZINC000341872375 353217455 /nfs/dbraw/zinc/21/74/55/353217455.db2.gz PJJKRNHYPTWWIT-KBPBESRZSA-N 2 0 252.358 -0.097 20 30 CBEDRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)C[C@H]1C[NH3+] ZINC000593916949 355230094 /nfs/dbraw/zinc/23/00/94/355230094.db2.gz RWWBYLANGYPHRK-GRYCIOLGSA-N 2 0 268.361 -0.170 20 30 CBEDRP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000221174731 220236230 /nfs/dbraw/zinc/23/62/30/220236230.db2.gz FNRPILSJEYCODQ-NWDGAFQWSA-N 2 0 282.388 -0.536 20 30 CBEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000261948080 220246433 /nfs/dbraw/zinc/24/64/33/220246433.db2.gz GLXZDCRVMAXDAW-CYBMUJFWSA-N 2 0 283.420 -0.293 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)C[C@H]1CCOC1 ZINC000261598415 220243910 /nfs/dbraw/zinc/24/39/10/220243910.db2.gz AMXUUXZNRATHKD-ZIAGYGMSSA-N 2 0 297.447 -0.224 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)C[C@H]1CCOC1 ZINC000261664561 220244362 /nfs/dbraw/zinc/24/43/62/220244362.db2.gz OHYCFVCNVCLSQU-ZIAGYGMSSA-N 2 0 295.431 -0.470 20 30 CBEDRP C[NH+]=C(NCC(=O)NC1CC1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261819936 220246024 /nfs/dbraw/zinc/24/60/24/220246024.db2.gz UJICCKDJKOVEPI-GXFFZTMASA-N 2 0 293.415 -0.087 20 30 CBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCO[C@@H](COC)C1 ZINC000262018874 220248416 /nfs/dbraw/zinc/24/84/16/220248416.db2.gz VXTQWEZSPQCOPW-QWHCGFSZSA-N 2 0 284.404 -0.139 20 30 CBEDRP C[N@@H+]1CC[C@@](O)(CNC(=[NH2+])N2CCSCC2)C1 ZINC000262347580 220250004 /nfs/dbraw/zinc/25/00/04/220250004.db2.gz YHFUEPQAIACNAS-LLVKDONJSA-N 2 0 258.391 -0.584 20 30 CBEDRP CC(C)C[N@@H+]1CCO[C@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000262292894 220250022 /nfs/dbraw/zinc/25/00/22/220250022.db2.gz NBTDURXJBDVFMK-CYBMUJFWSA-N 2 0 284.404 -0.010 20 30 CBEDRP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@@H]1CC[N@H+](C)C1 ZINC000262452068 220251326 /nfs/dbraw/zinc/25/13/26/220251326.db2.gz UVBAZCGKELVDFL-WCQYABFASA-N 2 0 294.403 -0.430 20 30 CBEDRP CN1CC[NH+]=C1NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000262675197 220254786 /nfs/dbraw/zinc/25/47/86/220254786.db2.gz SWMYWZNTCOLCNJ-UHFFFAOYSA-N 2 0 253.394 -0.097 20 30 CBEDRP [NH2+]=C(NCC1CCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262755830 220254999 /nfs/dbraw/zinc/25/49/99/220254999.db2.gz DJQZAOWBFNSYFV-LBPRGKRZSA-N 2 0 251.378 -0.309 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262658288 220255187 /nfs/dbraw/zinc/25/51/87/220255187.db2.gz MFFYVDVPONFKLW-NEPJUHHUSA-N 2 0 253.394 -0.050 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncn(C)n1 ZINC000262688588 220256158 /nfs/dbraw/zinc/25/61/58/220256158.db2.gz ZKFAHRSUWMYEEA-SNVBAGLBSA-N 2 0 265.365 -0.296 20 30 CBEDRP CNC(=[NH2+])NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000264149424 220264295 /nfs/dbraw/zinc/26/42/95/220264295.db2.gz YSRDWVHPNSHYLN-UHFFFAOYSA-N 2 0 262.361 -0.133 20 30 CBEDRP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[N@H+](C)CCN1C ZINC000263045537 220261403 /nfs/dbraw/zinc/26/14/03/220261403.db2.gz FHIGELPEZCEYAL-STQMWFEESA-N 2 0 283.420 -0.424 20 30 CBEDRP CC[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000330749590 220361621 /nfs/dbraw/zinc/36/16/21/220361621.db2.gz UKNQZDWBCMESHP-GFCCVEGCSA-N 2 0 271.409 -0.313 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCO[C@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662766293 419714188 /nfs/dbraw/zinc/71/41/88/419714188.db2.gz IENZCXQEHXRSSQ-DGCLKSJQSA-N 2 0 253.346 -0.129 20 30 CBEDRP C(#CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000671240038 544805941 /nfs/dbraw/zinc/80/59/41/544805941.db2.gz BRWYUKHJAZWNSC-VGWMRTNUSA-N 2 0 274.412 -0.708 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@]1(O)CC[NH+](C)C1 ZINC000262275203 276378033 /nfs/dbraw/zinc/37/80/33/276378033.db2.gz HVFUBDHXEHDDEU-GXTWGEPZSA-N 3 0 283.420 -0.558 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000571181158 328091047 /nfs/dbraw/zinc/09/10/47/328091047.db2.gz RCQINBNTZYMFSD-UHFFFAOYSA-N 2 0 282.388 -0.440 20 30 CBEDRP C#CC[N@H+](C)CCCNC[C@@H](O)C[NH+](C)C1CC1 ZINC000327952064 330259710 /nfs/dbraw/zinc/25/97/10/330259710.db2.gz AGGXVYPHCZWTSO-CQSZACIVSA-N 3 0 253.390 -0.014 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)CC1 ZINC000490638143 332098865 /nfs/dbraw/zinc/09/88/65/332098865.db2.gz VLLFYLCAXCKAMG-OAHLLOKOSA-N 2 0 292.427 -0.306 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)CC1 ZINC000490984770 332136091 /nfs/dbraw/zinc/13/60/91/332136091.db2.gz HVHUOWXGEDDNLA-OAHLLOKOSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@H+](CCO)CC2CC2)CC1 ZINC000491124999 332153316 /nfs/dbraw/zinc/15/33/16/332153316.db2.gz AJJRLBMFGHXRQJ-UHFFFAOYSA-N 2 0 279.384 -0.532 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000491307072 332186673 /nfs/dbraw/zinc/18/66/73/332186673.db2.gz OVVWKZYWEKISCG-UHFFFAOYSA-N 2 0 280.372 -0.675 20 30 CBEDRP C#CC[N@H+](C)CCCNS(=O)(=O)CC[NH+]1CCCC1 ZINC000491661411 332271297 /nfs/dbraw/zinc/27/12/97/332271297.db2.gz DRHIYTQZBRFDSA-UHFFFAOYSA-N 2 0 287.429 -0.043 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000491737515 332317113 /nfs/dbraw/zinc/31/71/13/332317113.db2.gz DZGDLXGJOLVDKB-GFCCVEGCSA-N 2 0 252.362 -0.007 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000491767677 332335212 /nfs/dbraw/zinc/33/52/12/332335212.db2.gz JFCQNYUAXBEDST-CQSZACIVSA-N 2 0 281.400 -0.048 20 30 CBEDRP C#C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(C)C ZINC000491814434 332366151 /nfs/dbraw/zinc/36/61/51/332366151.db2.gz CVJOKWWWEYXYHZ-ZIAGYGMSSA-N 2 0 253.390 -0.158 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)CN2CCNCC2=O)CC1 ZINC000236659386 333374256 /nfs/dbraw/zinc/37/42/56/333374256.db2.gz KSCHQOBZPBOFCE-UHFFFAOYSA-N 2 0 280.372 -0.815 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529303544 333482321 /nfs/dbraw/zinc/48/23/21/333482321.db2.gz ALGRBRDKFPNHGV-CYBMUJFWSA-N 2 0 282.388 -0.076 20 30 CBEDRP C=CCCOCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000581186520 336020887 /nfs/dbraw/zinc/02/08/87/336020887.db2.gz YCVFLCUTSLBKFZ-CQSZACIVSA-N 2 0 271.405 -0.223 20 30 CBEDRP COCC[N@H+](C)CCCNC(=[NH2+])N[C@H](C)COC ZINC000104173097 582113126 /nfs/dbraw/zinc/11/31/26/582113126.db2.gz OKHZISXGFLTNHA-LLVKDONJSA-N 2 0 260.382 -0.106 20 30 CBEDRP C#CCOCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000755863058 582302596 /nfs/dbraw/zinc/30/25/96/582302596.db2.gz XYALEEILTAMYDC-UHFFFAOYSA-N 2 0 269.389 -0.022 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCN1CC[NH+](C)CC1 ZINC000764013985 582321903 /nfs/dbraw/zinc/32/19/03/582321903.db2.gz ATBLXEWTIUUHOG-UHFFFAOYSA-N 2 0 254.378 -0.532 20 30 CBEDRP COC(=O)CC[NH+]1CCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000788724666 582386835 /nfs/dbraw/zinc/38/68/35/582386835.db2.gz CPOOXJXQKUJBNT-SNVBAGLBSA-N 2 0 281.360 -0.061 20 30 CBEDRP C#CCNC(=O)CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000815069431 582460426 /nfs/dbraw/zinc/46/04/26/582460426.db2.gz GRUSSIAJJJVXFE-HNNXBMFYSA-N 2 0 292.427 -0.162 20 30 CBEDRP C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000823123605 582659285 /nfs/dbraw/zinc/65/92/85/582659285.db2.gz CGMMOGYUZIVRJD-ZDUSSCGKSA-N 2 0 269.389 -0.024 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000834483888 583124280 /nfs/dbraw/zinc/12/42/80/583124280.db2.gz AVDQXSRJTVBLJP-LNLATYFQSA-N 2 0 274.328 -0.672 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000841849852 583175324 /nfs/dbraw/zinc/17/53/24/583175324.db2.gz MTYIAHDPEZQISZ-MGPQQGTHSA-N 2 0 270.336 -0.071 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000843459265 583221694 /nfs/dbraw/zinc/22/16/94/583221694.db2.gz DDZCPFFUBSQFLY-JGVFFNPUSA-N 2 0 265.342 -0.514 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000843459266 583221707 /nfs/dbraw/zinc/22/17/07/583221707.db2.gz DDZCPFFUBSQFLY-SFYZADRCSA-N 2 0 265.342 -0.514 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000843461618 583222624 /nfs/dbraw/zinc/22/26/24/583222624.db2.gz VMHPZPXPMMLDQT-VGMNWLOBSA-N 2 0 258.272 -0.541 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000844037589 583245735 /nfs/dbraw/zinc/24/57/35/583245735.db2.gz KEQKDHBPLABXLV-LBPRGKRZSA-N 2 0 282.388 -0.317 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)N1 ZINC000849001320 583466282 /nfs/dbraw/zinc/46/62/82/583466282.db2.gz PJRMCLWMFKOHEE-VXGBXAGGSA-N 2 0 281.404 -0.134 20 30 CBEDRP C#CCNC(=O)CN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761117 583552236 /nfs/dbraw/zinc/55/22/36/583552236.db2.gz QUAZFDXHOHIUCF-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP CN1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@H](C[NH3+])C1 ZINC000852797827 583553243 /nfs/dbraw/zinc/55/32/43/583553243.db2.gz CAAQBEZROAZTBO-CYBMUJFWSA-N 2 0 264.373 -0.909 20 30 CBEDRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852873556 583565497 /nfs/dbraw/zinc/56/54/97/583565497.db2.gz YSPLLXHYQAJOFV-CQSZACIVSA-N 2 0 292.427 -0.259 20 30 CBEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852873555 583565639 /nfs/dbraw/zinc/56/56/39/583565639.db2.gz YSPLLXHYQAJOFV-AWEZNQCLSA-N 2 0 292.427 -0.259 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713587 583780645 /nfs/dbraw/zinc/78/06/45/583780645.db2.gz DFFKNJWVGFHNBX-QWHCGFSZSA-N 2 0 267.373 -0.228 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861768582 583785432 /nfs/dbraw/zinc/78/54/32/583785432.db2.gz LKPQITFLNMNJOK-LBPRGKRZSA-N 2 0 296.415 -0.051 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876511446 584130300 /nfs/dbraw/zinc/13/03/00/584130300.db2.gz JCKGLFCQHDUBEB-VIFPVBQESA-N 2 0 274.752 -0.996 20 30 CBEDRP C=CCNC(=O)C[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903490998 584891656 /nfs/dbraw/zinc/89/16/56/584891656.db2.gz QGSIQRNOYPSYKL-WDMOLILDSA-N 2 0 281.356 -0.499 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000970727255 612962982 /nfs/dbraw/zinc/96/29/82/612962982.db2.gz DYUNJEJFHPAUOX-ZIAGYGMSSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CCO)C2)CC1 ZINC000980478007 613129613 /nfs/dbraw/zinc/12/96/13/613129613.db2.gz LYIHNPPQIJXOBG-HNNXBMFYSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)[C@H](O)C1 ZINC000958219792 613289648 /nfs/dbraw/zinc/28/96/48/613289648.db2.gz NWJVHSCVSJVFGE-UKRRQHHQSA-N 2 0 298.346 -0.010 20 30 CBEDRP CC#CCN1CCCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000980893952 613551494 /nfs/dbraw/zinc/55/14/94/613551494.db2.gz RMTCQIFXGGFCCA-AWEZNQCLSA-N 2 0 279.384 -0.125 20 30 CBEDRP C=CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374007 613824217 /nfs/dbraw/zinc/82/42/17/613824217.db2.gz KVNVHBAARCHSLI-KBPBESRZSA-N 2 0 281.400 -0.077 20 30 CBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262255161 656129728 /nfs/dbraw/zinc/12/97/28/656129728.db2.gz DTDQHHPXURZEQA-NWDGAFQWSA-N 2 0 269.393 -0.685 20 30 CBEDRP COCCNC(=[NH2+])NCC1([NH+](C)C)CCOCC1 ZINC000303994736 656140185 /nfs/dbraw/zinc/14/01/85/656140185.db2.gz DAWIUPMBJXRBOD-UHFFFAOYSA-N 2 0 258.366 -0.352 20 30 CBEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303388517 656138669 /nfs/dbraw/zinc/13/86/69/656138669.db2.gz XLUQAKSDTNUZQR-CYBMUJFWSA-N 2 0 285.436 -0.189 20 30 CBEDRP COCCNC(=[NH2+])NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303366440 656138793 /nfs/dbraw/zinc/13/87/93/656138793.db2.gz HEBQUMDDSRRDNK-ZDUSSCGKSA-N 2 0 285.436 -0.191 20 30 CBEDRP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000303371361 656138962 /nfs/dbraw/zinc/13/89/62/656138962.db2.gz KXKZDAZVTUCENA-KGLIPLIRSA-N 2 0 297.447 -0.047 20 30 CBEDRP C[C@H](CNC(=[NH2+])NC[C@H]1CCCO1)C[NH+]1CCN(C)CC1 ZINC000303371365 656139081 /nfs/dbraw/zinc/13/90/81/656139081.db2.gz KXKZDAZVTUCENA-ZIAGYGMSSA-N 2 0 297.447 -0.047 20 30 CBEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000303874417 656139291 /nfs/dbraw/zinc/13/92/91/656139291.db2.gz HEHKOHBTFLQDFJ-ZDUSSCGKSA-N 2 0 283.420 -0.483 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCCCC1 ZINC000303774391 656139714 /nfs/dbraw/zinc/13/97/14/656139714.db2.gz FWUBKNAIVOKNJE-UHFFFAOYSA-N 2 0 297.447 -0.031 20 30 CBEDRP COCCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CCOC ZINC000303977532 656140017 /nfs/dbraw/zinc/14/00/17/656140017.db2.gz LHQIPNOPWXMCNT-NSHDSACASA-N 2 0 258.366 -0.352 20 30 CBEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)N1CC[NH+](C)CC1 ZINC000303973425 656140164 /nfs/dbraw/zinc/14/01/64/656140164.db2.gz GVNLUGAIGDKHTP-GFCCVEGCSA-N 2 0 269.393 -0.731 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000303896182 656140273 /nfs/dbraw/zinc/14/02/73/656140273.db2.gz PUJAWXFOGBJVBO-CHWSQXEVSA-N 2 0 285.436 -0.048 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000303896183 656140400 /nfs/dbraw/zinc/14/04/00/656140400.db2.gz PUJAWXFOGBJVBO-OLZOCXBDSA-N 2 0 285.436 -0.048 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303978323 656140404 /nfs/dbraw/zinc/14/04/04/656140404.db2.gz MFRCGJCSTGQUHZ-NWDGAFQWSA-N 2 0 271.409 -0.439 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303978324 656140484 /nfs/dbraw/zinc/14/04/84/656140484.db2.gz MFRCGJCSTGQUHZ-RYUDHWBXSA-N 2 0 271.409 -0.439 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000303896184 656140499 /nfs/dbraw/zinc/14/04/99/656140499.db2.gz PUJAWXFOGBJVBO-QWHCGFSZSA-N 2 0 285.436 -0.048 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895057713 656278318 /nfs/dbraw/zinc/27/83/18/656278318.db2.gz WVAHEHXCZGAGEO-UHFFFAOYSA-N 2 0 296.415 -0.303 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCC(=O)NCC[NH+]1CCCCC1 ZINC000909318474 656807327 /nfs/dbraw/zinc/80/73/27/656807327.db2.gz WXSDPXXUCPPLMF-UHFFFAOYSA-N 2 0 296.415 -0.178 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911236831 656992831 /nfs/dbraw/zinc/99/28/31/656992831.db2.gz UKFNWQCFJIRYJG-UHFFFAOYSA-N 2 0 280.372 -0.640 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000911874342 657152464 /nfs/dbraw/zinc/15/24/64/657152464.db2.gz YHNPBRAKAKDTRK-UHFFFAOYSA-N 2 0 296.415 -0.273 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000913171767 657393055 /nfs/dbraw/zinc/39/30/55/657393055.db2.gz QZQGVSNHUZRCDC-GFCCVEGCSA-N 2 0 255.362 -0.323 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000913352202 657444680 /nfs/dbraw/zinc/44/46/80/657444680.db2.gz QZQGVSNHUZRCDC-LBPRGKRZSA-N 2 0 255.362 -0.323 20 30 CBEDRP CC[NH+]1CCN(CCC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913519105 657486253 /nfs/dbraw/zinc/48/62/53/657486253.db2.gz NNXDAMZKXXALGB-UHFFFAOYSA-N 2 0 280.416 -0.305 20 30 CBEDRP CN1CC[N@H+](C)CC(C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524173 657492306 /nfs/dbraw/zinc/49/23/06/657492306.db2.gz CILOJJQBWLQUSD-UHFFFAOYSA-N 2 0 266.389 -0.839 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001021093078 658150985 /nfs/dbraw/zinc/15/09/85/658150985.db2.gz XZSCDFJGAHTGSF-JOCQHMNTSA-N 2 0 292.383 -0.946 20 30 CBEDRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC#CCO ZINC000923765166 658474698 /nfs/dbraw/zinc/47/46/98/658474698.db2.gz UZNAIHALOYVSLR-ZDUSSCGKSA-N 2 0 284.404 -0.447 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1C ZINC000924978107 658684269 /nfs/dbraw/zinc/68/42/69/658684269.db2.gz VEUOMONEQIPBMI-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000928647657 659056923 /nfs/dbraw/zinc/05/69/23/659056923.db2.gz IKEVLWYNMIQJSC-DZGCQCFKSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000928655095 659060969 /nfs/dbraw/zinc/06/09/69/659060969.db2.gz RASMFQKLSSTHIS-HNNXBMFYSA-N 2 0 290.411 -0.410 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000928656166 659061448 /nfs/dbraw/zinc/06/14/48/659061448.db2.gz NKOHWEPAHRGUGR-UHFFFAOYSA-N 2 0 292.427 -0.162 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCN2CCOCC2)C1 ZINC000989561062 659593525 /nfs/dbraw/zinc/59/35/25/659593525.db2.gz BIAKGLINYBBHSB-KBPBESRZSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121606 790991706 /nfs/dbraw/zinc/99/17/06/790991706.db2.gz GTZASFHZCATQBJ-RQJABVFESA-N 2 0 277.368 -0.280 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900260 814924982 /nfs/dbraw/zinc/92/49/82/814924982.db2.gz KVLCMZAWQPWERA-CHWSQXEVSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001083778409 806432223 /nfs/dbraw/zinc/43/22/23/806432223.db2.gz LYLGSYPRSALFTN-MCIONIFRSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CCO)CC1 ZINC001028334047 799124708 /nfs/dbraw/zinc/12/47/08/799124708.db2.gz VIBCHTMEKBNRHY-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C[C@H](C)O)CC1 ZINC001039041886 801284176 /nfs/dbraw/zinc/28/41/76/801284176.db2.gz ILMBMFKRRLAETJ-DZGCQCFKSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365371 814941743 /nfs/dbraw/zinc/94/17/43/814941743.db2.gz NPCWSBOAFFZUPK-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148570552 814951632 /nfs/dbraw/zinc/95/16/32/814951632.db2.gz GJKAKWUYXWFGOG-UHFFFAOYSA-N 2 0 284.404 -0.274 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001321739745 803808455 /nfs/dbraw/zinc/80/84/55/803808455.db2.gz KJZOFAUPYPIACZ-OLZOCXBDSA-N 2 0 267.373 -0.318 20 30 CBEDRP COCC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001323349547 804013734 /nfs/dbraw/zinc/01/37/34/804013734.db2.gz AGKSBXANBOMFAQ-ZIAGYGMSSA-N 2 0 279.384 -0.222 20 30 CBEDRP COCC#CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325763415 804313680 /nfs/dbraw/zinc/31/36/80/804313680.db2.gz UDXMIWUXDMIHNB-GASCZTMLSA-N 2 0 293.411 -0.022 20 30 CBEDRP C=C[C@H](COC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001325843890 804324374 /nfs/dbraw/zinc/32/43/74/804324374.db2.gz KJAAQUWVQWKJPL-OLZOCXBDSA-N 2 0 257.378 -0.615 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151158556 815065809 /nfs/dbraw/zinc/06/58/09/815065809.db2.gz PIVFJLDKMXQFPB-CQSZACIVSA-N 2 0 299.415 -0.137 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151157035 815065939 /nfs/dbraw/zinc/06/59/39/815065939.db2.gz JJAGGFFJRVGXCJ-CYBMUJFWSA-N 2 0 267.373 -0.316 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001151159429 815066204 /nfs/dbraw/zinc/06/62/04/815066204.db2.gz TUCIEVHDKAHHMQ-CQSZACIVSA-N 2 0 297.399 -0.690 20 30 CBEDRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152136349 815106935 /nfs/dbraw/zinc/10/69/35/815106935.db2.gz AFYHSMQPUUAEIY-RYUDHWBXSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152145906 815108120 /nfs/dbraw/zinc/10/81/20/815108120.db2.gz FYCMDKNMVGSJQY-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155821867 815315702 /nfs/dbraw/zinc/31/57/02/815315702.db2.gz DKSXVTFQTZJLTM-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001086091958 810241479 /nfs/dbraw/zinc/24/14/79/810241479.db2.gz UJKAAGQGXCXHER-LXTVHRRPSA-N 2 0 291.395 -0.033 20 30 CBEDRP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100067788 811011624 /nfs/dbraw/zinc/01/16/24/811011624.db2.gz XWGMRDZJVUBJEU-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073345 811015285 /nfs/dbraw/zinc/01/52/85/811015285.db2.gz CGXCCRUVOUQISH-UONOGXRCSA-N 2 0 297.399 -0.861 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100131856 811025731 /nfs/dbraw/zinc/02/57/31/811025731.db2.gz JUFRPNACFMBMGP-KGLIPLIRSA-N 2 0 281.400 -0.099 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)C1 ZINC001157335894 815424544 /nfs/dbraw/zinc/42/45/44/815424544.db2.gz LFUORGVONJLYCW-FZMZJTMJSA-N 2 0 282.388 -0.346 20 30 CBEDRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)NO ZINC001157304535 815422149 /nfs/dbraw/zinc/42/21/49/815422149.db2.gz ZMKUPBQNQKMMEK-QWRGUYRKSA-N 2 0 286.376 -0.650 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157982303 815494742 /nfs/dbraw/zinc/49/47/42/815494742.db2.gz LOODMYLJDCGCKK-QWRGUYRKSA-N 2 0 253.350 -0.973 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001115245345 812187014 /nfs/dbraw/zinc/18/70/14/812187014.db2.gz PNXUFUGHCZQTPF-BYNSBNAKSA-N 2 0 291.395 -0.366 20 30 CBEDRP C[C@@H]1[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001158420596 815528264 /nfs/dbraw/zinc/52/82/64/815528264.db2.gz GSKZLKATNCWJAX-VXGBXAGGSA-N 2 0 295.387 -0.938 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001118137395 812476373 /nfs/dbraw/zinc/47/63/73/812476373.db2.gz BXUBAOMOLDYOAQ-STQMWFEESA-N 2 0 279.388 -0.486 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486182 815535207 /nfs/dbraw/zinc/53/52/07/815535207.db2.gz HJNULJBPAOCRRB-QWHCGFSZSA-N 2 0 265.357 -0.421 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001118384500 812543487 /nfs/dbraw/zinc/54/34/87/812543487.db2.gz UXFXTUUDCPBGOP-NWDGAFQWSA-N 2 0 268.361 -0.108 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507033 815536716 /nfs/dbraw/zinc/53/67/16/815536716.db2.gz OOGIYDMDMPBNFS-KBPBESRZSA-N 2 0 279.384 -0.031 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]([NH3+])C1CC1)C2 ZINC001119297018 812745972 /nfs/dbraw/zinc/74/59/72/812745972.db2.gz IEVKSCKVDVAPND-ATJQQHLPSA-N 2 0 262.357 -0.021 20 30 CBEDRP C[NH2+]C[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001119298653 812747119 /nfs/dbraw/zinc/74/71/19/812747119.db2.gz FJSCJYAEZQLZDZ-JJOYANBFSA-N 2 0 250.346 -0.150 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CC1(O)CC[NH+](C)CC1 ZINC001120497103 812976729 /nfs/dbraw/zinc/97/67/29/812976729.db2.gz RONFFUICXQIERP-UHFFFAOYSA-N 2 0 253.346 -0.828 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001122002758 813102924 /nfs/dbraw/zinc/10/29/24/813102924.db2.gz JYSBHMRGGFLYIA-CYBMUJFWSA-N 2 0 265.357 -0.610 20 30 CBEDRP C=CC[C@@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001122062968 813110176 /nfs/dbraw/zinc/11/01/76/813110176.db2.gz HBAMBJBAYJYDLY-FZMZJTMJSA-N 2 0 265.357 -0.068 20 30 CBEDRP C=CC[C@@]1(C(=O)N(C)C[C@@H](O)C[NH2+]C)CCC[NH2+]1 ZINC001122099063 813116396 /nfs/dbraw/zinc/11/63/96/813116396.db2.gz CODCFDXUBWQZMC-AAEUAGOBSA-N 2 0 255.362 -0.277 20 30 CBEDRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001122330740 813148622 /nfs/dbraw/zinc/14/86/22/813148622.db2.gz HQXSCBKHLSUVKK-RYUDHWBXSA-N 2 0 268.361 -0.156 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124866333 813490031 /nfs/dbraw/zinc/49/00/31/813490031.db2.gz AFXQLGLKCXUEOM-NEPJUHHUSA-N 2 0 282.388 -0.523 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127685767 813741765 /nfs/dbraw/zinc/74/17/65/813741765.db2.gz SQVBDIGYVVNHCF-VXGBXAGGSA-N 2 0 282.388 -0.665 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127785966 813748738 /nfs/dbraw/zinc/74/87/38/813748738.db2.gz SACAQAOXOHERHK-UONOGXRCSA-N 2 0 297.399 -0.242 20 30 CBEDRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001128774896 813797481 /nfs/dbraw/zinc/79/74/81/813797481.db2.gz YGMAWTDTYHXANY-GFCCVEGCSA-N 2 0 295.387 -0.794 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129449498 813845484 /nfs/dbraw/zinc/84/54/84/813845484.db2.gz NOXAWMOMPMZVKT-AAEUAGOBSA-N 2 0 294.399 -0.830 20 30 CBEDRP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129849727 813869935 /nfs/dbraw/zinc/86/99/35/813869935.db2.gz RZEYOWWJQBTPQR-LBPRGKRZSA-N 2 0 295.387 -0.794 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129947070 813883069 /nfs/dbraw/zinc/88/30/69/813883069.db2.gz ILDJPIGJBQOBJR-ZDUSSCGKSA-N 2 0 282.388 -0.972 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303555 813924756 /nfs/dbraw/zinc/92/47/56/813924756.db2.gz DCOFVLAMFGGJIT-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130303557 813925001 /nfs/dbraw/zinc/92/50/01/813925001.db2.gz DCOFVLAMFGGJIT-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520231 814037193 /nfs/dbraw/zinc/03/71/93/814037193.db2.gz VMXJQMBNLBMZNS-OWYJLGKBSA-N 2 0 277.368 -0.421 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522249 814037361 /nfs/dbraw/zinc/03/73/61/814037361.db2.gz YTWBQRRQPJDPSB-OWYJLGKBSA-N 2 0 277.368 -0.421 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525732 814038499 /nfs/dbraw/zinc/03/84/99/814038499.db2.gz IINYWRQVXFOBJQ-LXVYMNJGSA-N 2 0 263.341 -0.811 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132280273 814119956 /nfs/dbraw/zinc/11/99/56/814119956.db2.gz FQQSFEAOXVIVTB-UHFFFAOYSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001132283879 814120284 /nfs/dbraw/zinc/12/02/84/814120284.db2.gz MXPUGOGZYUUAFZ-UHFFFAOYSA-N 2 0 294.399 -0.684 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132992885 814206498 /nfs/dbraw/zinc/20/64/98/814206498.db2.gz IHVHNMBGCXRKQP-UHFFFAOYSA-N 2 0 282.388 -0.664 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133042870 814212252 /nfs/dbraw/zinc/21/22/52/814212252.db2.gz NFWFBIYXSUZSSI-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133868107 814316268 /nfs/dbraw/zinc/31/62/68/814316268.db2.gz ZEZQXTRTOIUXNU-NEPJUHHUSA-N 2 0 282.388 -0.808 20 30 CBEDRP C#CC[NH2+]CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001135114432 814439026 /nfs/dbraw/zinc/43/90/26/814439026.db2.gz FEVWPCFTLIADSQ-UHFFFAOYSA-N 2 0 263.345 -0.603 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146719306 814845902 /nfs/dbraw/zinc/84/59/02/814845902.db2.gz PKZQMAFENCASMM-UHFFFAOYSA-N 2 0 270.377 -0.664 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876951 814920941 /nfs/dbraw/zinc/92/09/41/814920941.db2.gz AELUGJOJNVFQQY-LBPRGKRZSA-N 2 0 282.388 -0.664 20 30 CBEDRP C=CCN1CCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CC1 ZINC001160431706 815621036 /nfs/dbraw/zinc/62/10/36/815621036.db2.gz BAWLFGRUYCQJKF-UKRRQHHQSA-N 2 0 278.400 -0.484 20 30 CBEDRP N#C[C@H]1CCCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160635849 815646687 /nfs/dbraw/zinc/64/66/87/815646687.db2.gz DXFMACAGJPJDCW-OLZOCXBDSA-N 2 0 279.388 -0.359 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CC[C@@H]([NH3+])[C@H](O)C1 ZINC001160653202 815652834 /nfs/dbraw/zinc/65/28/34/815652834.db2.gz YJWSJAJQBQWAIZ-HZSPNIEDSA-N 2 0 288.351 -0.651 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160750737 815666416 /nfs/dbraw/zinc/66/64/16/815666416.db2.gz NDXQDZGIUFHKBK-CYBMUJFWSA-N 2 0 292.387 -0.607 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1CN(C)C[C@@H](C)O1 ZINC001160857052 815680798 /nfs/dbraw/zinc/68/07/98/815680798.db2.gz CNBBQMBDRFOCQA-CHWSQXEVSA-N 2 0 267.373 -0.175 20 30 CBEDRP CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001160882871 815683442 /nfs/dbraw/zinc/68/34/42/815683442.db2.gz AGDJMPLSXKKOQX-LLVKDONJSA-N 2 0 283.376 -0.938 20 30 CBEDRP N#C[C@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160879637 815683848 /nfs/dbraw/zinc/68/38/48/815683848.db2.gz RTGVJTJIOKKKTK-WDEREUQCSA-N 2 0 252.318 -0.936 20 30 CBEDRP C#CC1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160913292 815686829 /nfs/dbraw/zinc/68/68/29/815686829.db2.gz VJBPGRKWWFTQSC-NSHDSACASA-N 2 0 255.387 -0.123 20 30 CBEDRP N#C[C@@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160933517 815688255 /nfs/dbraw/zinc/68/82/55/815688255.db2.gz LNKCLCXTJOVUTR-VXGBXAGGSA-N 2 0 278.356 -0.388 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161032010 815701905 /nfs/dbraw/zinc/70/19/05/815701905.db2.gz ACZBFAOGRRBXSZ-ZDUSSCGKSA-N 2 0 296.415 -0.131 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC001293590686 816521375 /nfs/dbraw/zinc/52/13/75/816521375.db2.gz WGSNTNBNGXUWJS-GFCCVEGCSA-N 2 0 255.362 -0.059 20 30 CBEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001311903464 816848005 /nfs/dbraw/zinc/84/80/05/816848005.db2.gz XCAOZHMQMHFUHP-AWEZNQCLSA-N 2 0 295.431 -0.514 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317064988 816925549 /nfs/dbraw/zinc/92/55/49/816925549.db2.gz MLTXOTVLOIJTJP-STQMWFEESA-N 2 0 294.399 -0.734 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001317065207 816925561 /nfs/dbraw/zinc/92/55/61/816925561.db2.gz MOHLIPUDKJARON-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317282435 816957429 /nfs/dbraw/zinc/95/74/29/816957429.db2.gz ISXYPBNALFUNBW-NWDGAFQWSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317281595 816957756 /nfs/dbraw/zinc/95/77/56/816957756.db2.gz DSDJVSSYYDDUJZ-QWHCGFSZSA-N 2 0 296.415 -0.275 20 30 CBEDRP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001317301139 816962091 /nfs/dbraw/zinc/96/20/91/816962091.db2.gz ADRZESKUNHAMDQ-NWDGAFQWSA-N 2 0 295.387 -0.843 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001319281981 817185124 /nfs/dbraw/zinc/18/51/24/817185124.db2.gz MMIPAHMPLDYXAN-ZDUSSCGKSA-N 2 0 294.399 -0.827 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001320227661 817298975 /nfs/dbraw/zinc/29/89/75/817298975.db2.gz SQTUBUDYXKQYQW-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001320295483 817317515 /nfs/dbraw/zinc/31/75/15/817317515.db2.gz KCKFNCLHKUKUGQ-LLVKDONJSA-N 2 0 253.346 -0.665 20 30 CBEDRP C[NH+]1CCC(C(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001165772776 819982090 /nfs/dbraw/zinc/98/20/90/819982090.db2.gz XHBYXWFGGMZBJF-UHFFFAOYSA-N 2 0 295.387 -0.936 20 30 CBEDRP CC(C)[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001166004511 819989012 /nfs/dbraw/zinc/98/90/12/819989012.db2.gz PNHYFSIGHCOXSI-CYBMUJFWSA-N 2 0 297.403 -0.692 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166851551 820041473 /nfs/dbraw/zinc/04/14/73/820041473.db2.gz CYFFYLVAAQWQDM-OLZOCXBDSA-N 2 0 296.415 -0.440 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170211076 820280206 /nfs/dbraw/zinc/28/02/06/820280206.db2.gz IGAZCMWFHKHIMC-UHFFFAOYSA-N 2 0 282.388 -0.827 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171215414 820352206 /nfs/dbraw/zinc/35/22/06/820352206.db2.gz CFCZXGOFRBMAMD-ZDUSSCGKSA-N 2 0 296.415 -0.274 20 30 CBEDRP CCC[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171758239 820370024 /nfs/dbraw/zinc/37/00/24/820370024.db2.gz USWVQSSXDPNVBK-UHFFFAOYSA-N 2 0 283.376 -0.936 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171769626 820370208 /nfs/dbraw/zinc/37/02/08/820370208.db2.gz AWQPRNJSEJCUHG-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176096487 820439737 /nfs/dbraw/zinc/43/97/37/820439737.db2.gz SDWWFMYLMQTBHD-OLZOCXBDSA-N 2 0 296.415 -0.275 20 30 CBEDRP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CC[NH+](C)C ZINC001179472220 820630856 /nfs/dbraw/zinc/63/08/56/820630856.db2.gz IZSBRGQBJOWXJH-RYUDHWBXSA-N 2 0 295.387 -0.843 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001181653287 820808216 /nfs/dbraw/zinc/80/82/16/820808216.db2.gz WOMKPGYNNJTFBC-OLZOCXBDSA-N 2 0 292.383 -0.980 20 30 CBEDRP C[NH+](C)CCCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185248348 821109718 /nfs/dbraw/zinc/10/97/18/821109718.db2.gz CQANOSMFSSXRMU-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185401210 821128840 /nfs/dbraw/zinc/12/88/40/821128840.db2.gz MRQSBGPTMONZJX-CHWSQXEVSA-N 2 0 294.399 -0.734 20 30 CBEDRP CC#CC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187107045 821212212 /nfs/dbraw/zinc/21/22/12/821212212.db2.gz SXVSNFSQYBHRCF-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001279710773 828335771 /nfs/dbraw/zinc/33/57/71/828335771.db2.gz CRQYZNHYTFHRNJ-AWEZNQCLSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001280668378 828370846 /nfs/dbraw/zinc/37/08/46/828370846.db2.gz LWHBJALNBUYKLP-ZIAGYGMSSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001281161924 828406146 /nfs/dbraw/zinc/40/61/46/828406146.db2.gz AXZFCFXDFJJIBT-GDBMZVCRSA-N 2 0 293.411 -0.096 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001283762196 828545057 /nfs/dbraw/zinc/54/50/57/828545057.db2.gz AXWJOUJNHBNQBJ-LBPRGKRZSA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001283812976 828551212 /nfs/dbraw/zinc/55/12/12/828551212.db2.gz KXQRHXNKARXVEE-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283812973 828551531 /nfs/dbraw/zinc/55/15/31/828551531.db2.gz KXQRHXNKARXVEE-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001283819602 828553811 /nfs/dbraw/zinc/55/38/11/828553811.db2.gz XXNOGBLWEBBALQ-GFCCVEGCSA-N 2 0 265.357 -0.828 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001284446055 828596773 /nfs/dbraw/zinc/59/67/73/828596773.db2.gz ZUJBKUUJYUHBIE-CHWSQXEVSA-N 2 0 269.389 -0.385 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001284456048 828598805 /nfs/dbraw/zinc/59/88/05/828598805.db2.gz IRKAKQAGKIMMDX-HIFRSBDPSA-N 2 0 279.384 -0.486 20 30 CBEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cncc1C ZINC001284505849 828605329 /nfs/dbraw/zinc/60/53/29/828605329.db2.gz OYPXKWVCLNFMFG-AWEZNQCLSA-N 2 0 292.383 -0.034 20 30 CBEDRP C#CCN1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817671 824203465 /nfs/dbraw/zinc/20/34/65/824203465.db2.gz PGKVVOJUDCIYKG-UHFFFAOYSA-N 2 0 267.373 -0.268 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001198655055 824236437 /nfs/dbraw/zinc/23/64/37/824236437.db2.gz YUKWMSXTFBDZLB-MGPQQGTHSA-N 2 0 297.399 -0.698 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)COCC[NH+](C)C)CCCO1 ZINC001201863734 824337496 /nfs/dbraw/zinc/33/74/96/824337496.db2.gz PCUFQAWXCHYKSY-AWEZNQCLSA-N 2 0 297.399 -0.595 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202057238 824341692 /nfs/dbraw/zinc/34/16/92/824341692.db2.gz FUHCLOYZYYVFCX-KGLIPLIRSA-N 2 0 279.384 -0.222 20 30 CBEDRP C=CCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001202315904 824346744 /nfs/dbraw/zinc/34/67/44/824346744.db2.gz IPGFTVWIFKBGES-UHFFFAOYSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH2+][C@H]1CCCN(C(=O)COCC[NH+](C)C)C1 ZINC001210677813 824480344 /nfs/dbraw/zinc/48/03/44/824480344.db2.gz PSLDONAVJMIVOW-ZDUSSCGKSA-N 2 0 267.373 -0.222 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218199886 824564725 /nfs/dbraw/zinc/56/47/25/824564725.db2.gz CNHRKNXCAWXVGT-WCFLWFBJSA-N 2 0 274.324 -0.468 20 30 CBEDRP Cc1noc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)c1C#N ZINC001218503496 824573637 /nfs/dbraw/zinc/57/36/37/824573637.db2.gz NXBWQOACEHUONH-LLVKDONJSA-N 2 0 292.343 -0.456 20 30 CBEDRP C#Cc1cc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)ccn1 ZINC001218523168 824581873 /nfs/dbraw/zinc/58/18/73/824581873.db2.gz DAYXTKFPRLRWHF-CYBMUJFWSA-N 2 0 258.325 -0.250 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[C@@H]([NH3+])CN1)C[NH2+]CC2 ZINC001218552733 824590255 /nfs/dbraw/zinc/59/02/55/824590255.db2.gz JULHGGPENJVNJD-XCBNKYQSSA-N 2 0 291.380 -0.107 20 30 CBEDRP Cc1nc(C#N)c(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)o1 ZINC001218650296 824615559 /nfs/dbraw/zinc/61/55/59/824615559.db2.gz XTSJJPGOMKQGNK-JTQLQIEISA-N 2 0 292.343 -0.456 20 30 CBEDRP O=C(/C=C/NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(F)(F)F ZINC001220343226 825019451 /nfs/dbraw/zinc/01/94/51/825019451.db2.gz GHCACUUVRFACLI-QOHHWTFISA-N 2 0 277.246 -0.443 20 30 CBEDRP COC(=O)c1ccc(C(=[NH2+])NC(O)=C2C[C@H]([NH3+])CN2)cc1 ZINC001220579111 825069498 /nfs/dbraw/zinc/06/94/98/825069498.db2.gz DYENXJLKSKKVQG-QWRGUYRKSA-N 2 0 290.323 -0.606 20 30 CBEDRP [NH3+][C@@H](CN1CCC([NH3+])CC1)C(=O)NCCCS ZINC001220587368 825071600 /nfs/dbraw/zinc/07/16/00/825071600.db2.gz BLEYQJBFOFLWFG-JTQLQIEISA-N 2 0 260.407 -0.827 20 30 CBEDRP CC(C)C[C@@H](C#N)NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220701295 825086359 /nfs/dbraw/zinc/08/63/59/825086359.db2.gz ZKRNYVGXNXMZBR-WDEREUQCSA-N 2 0 250.346 -0.150 20 30 CBEDRP C=C(C)CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220768379 825099046 /nfs/dbraw/zinc/09/90/46/825099046.db2.gz JFPRDRDJXPFXNO-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220868093 825115597 /nfs/dbraw/zinc/11/55/97/825115597.db2.gz AUFUTFQGHZKBEN-STQMWFEESA-N 3 0 278.400 -0.438 20 30 CBEDRP N#Cc1cnc(CNC(=O)[C@@H]([NH3+])CCC[NH3+])s1 ZINC001220872171 825116600 /nfs/dbraw/zinc/11/66/00/825116600.db2.gz MSRCPYWGLCRSOZ-QMMMGPOBSA-N 2 0 253.331 -0.303 20 30 CBEDRP COCC[N@H+](C)CCNC(=O)NCC#CC[NH+](C)C ZINC001221689211 825192329 /nfs/dbraw/zinc/19/23/29/825192329.db2.gz FQPHIWCHKBHCPF-UHFFFAOYSA-N 2 0 270.377 -0.571 20 30 CBEDRP N#Cc1cncc(CN2CC[NH2+]CCNCC[NH2+]CC2)c1 ZINC001235869521 825515574 /nfs/dbraw/zinc/51/55/74/825515574.db2.gz GGDAJPBXHYLNNS-UHFFFAOYSA-N 2 0 288.399 -0.462 20 30 CBEDRP C[C@@H](C#N)S(=O)(=O)NC[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239077 825549079 /nfs/dbraw/zinc/54/90/79/825549079.db2.gz BMNMHFUPUWCABL-QWRGUYRKSA-N 2 0 286.401 -0.308 20 30 CBEDRP C#CCOC[C@H](O)C[N@H+]1CCC[C@@](O)(C[NH3+])CC1 ZINC001246021520 825624580 /nfs/dbraw/zinc/62/45/80/825624580.db2.gz NQXNXTFPFADLBW-OLZOCXBDSA-N 2 0 256.346 -0.827 20 30 CBEDRP C=CCOC[C@@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032465 825627219 /nfs/dbraw/zinc/62/72/19/825627219.db2.gz SZZDNZRJSBYTHP-ZDUSSCGKSA-N 2 0 269.389 -0.423 20 30 CBEDRP C=C(C)C(=O)OCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246213620 825651811 /nfs/dbraw/zinc/65/18/11/825651811.db2.gz ZCIATBDSFSQUJO-LLVKDONJSA-N 2 0 253.346 -0.211 20 30 CBEDRP N#C[C@@H]1C[C@H]([NH2+]CCC[NH2+]CCCC[NH3+])CCN1 ZINC001246456123 825674745 /nfs/dbraw/zinc/67/47/45/825674745.db2.gz HVHBJYZFVIWVRO-OLZOCXBDSA-N 3 0 253.394 -0.061 20 30 CBEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246555038 825684526 /nfs/dbraw/zinc/68/45/26/825684526.db2.gz ARFGNMCIUOKEGP-XQQFMLRXSA-N 2 0 252.362 -0.194 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC001251707746 825786253 /nfs/dbraw/zinc/78/62/53/825786253.db2.gz FEBSKFUIOVMPRI-CQSZACIVSA-N 2 0 296.415 -0.303 20 30 CBEDRP C#CCOC[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001251851698 825795401 /nfs/dbraw/zinc/79/54/01/825795401.db2.gz QHVJXNHWLUAGLP-CQSZACIVSA-N 2 0 297.399 -0.907 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]CC1(N(C)C)CC[NH+](C)CC1 ZINC001251885091 825801227 /nfs/dbraw/zinc/80/12/27/825801227.db2.gz NLRKSOAUYSUTEE-CQSZACIVSA-N 2 0 283.416 -0.387 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001251887523 825802252 /nfs/dbraw/zinc/80/22/52/825802252.db2.gz FFBSVZCWPQOOGJ-HNNXBMFYSA-N 2 0 283.416 -0.387 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]CCN1CC[NH+](C(C)C)CC1 ZINC001251887524 825802398 /nfs/dbraw/zinc/80/23/98/825802398.db2.gz FFBSVZCWPQOOGJ-OAHLLOKOSA-N 2 0 283.416 -0.387 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+]CC1CC[NH+](CCO)CC1 ZINC001252487119 825870548 /nfs/dbraw/zinc/87/05/48/825870548.db2.gz MNBBYHXHWYRKOX-AWEZNQCLSA-N 2 0 272.389 -0.156 20 30 CBEDRP C#CC[S@](=O)Cc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164625 825946373 /nfs/dbraw/zinc/94/63/73/825946373.db2.gz PRJRCCXQTBIHOV-FQEVSTJZSA-N 2 0 297.428 -0.121 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3C[C@H]1C[NH2+]3)C2 ZINC001262035532 826626589 /nfs/dbraw/zinc/62/65/89/826626589.db2.gz MUQRXIZLLCMIGF-DQXWKOKRSA-N 2 0 260.341 -0.302 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCN2C)CC1 ZINC001263100205 826737015 /nfs/dbraw/zinc/73/70/15/826737015.db2.gz HZDWMNPRQVJVJB-CYBMUJFWSA-N 2 0 266.389 -0.343 20 30 CBEDRP C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001263186972 826751507 /nfs/dbraw/zinc/75/15/07/826751507.db2.gz VJQRRVYNUVYACI-BCXZHAGTSA-N 2 0 262.357 -0.150 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001265492342 826900726 /nfs/dbraw/zinc/90/07/26/826900726.db2.gz PBEJRIOTYCIGDR-JOCQHMNTSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001265784073 826918928 /nfs/dbraw/zinc/91/89/28/826918928.db2.gz UVNYTBAZRGALSV-GFCCVEGCSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863787 826931004 /nfs/dbraw/zinc/93/10/04/826931004.db2.gz KTSKKMPIMILUKC-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265914776 826937113 /nfs/dbraw/zinc/93/71/13/826937113.db2.gz WKCSTZVWCABLIP-QWHCGFSZSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)NCCN(CC)CC(N)=O ZINC001266394684 826994698 /nfs/dbraw/zinc/99/46/98/826994698.db2.gz VBSYGOGLKQGRCP-LBPRGKRZSA-N 2 0 280.372 -0.993 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001266744907 827059758 /nfs/dbraw/zinc/05/97/58/827059758.db2.gz XBPKYMCRNSEIKK-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001266928200 827086583 /nfs/dbraw/zinc/08/65/83/827086583.db2.gz QBJFDSZJCBCTPY-NEPJUHHUSA-N 2 0 282.388 -0.523 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266963290 827098159 /nfs/dbraw/zinc/09/81/59/827098159.db2.gz CPYRJIRHTHLXSR-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267458914 827173717 /nfs/dbraw/zinc/17/37/17/827173717.db2.gz MNTZLRVSQNHYFG-CQSZACIVSA-N 2 0 296.415 -0.630 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001268307680 827289934 /nfs/dbraw/zinc/28/99/34/827289934.db2.gz HTJRZMVGTKRPEK-LLVKDONJSA-N 2 0 253.346 -0.829 20 30 CBEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001268320988 827298316 /nfs/dbraw/zinc/29/83/16/827298316.db2.gz FHAPFKZAGVOCMA-AWEZNQCLSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268324590 827300789 /nfs/dbraw/zinc/30/07/89/827300789.db2.gz USHOBRRYRRJDFH-CHWSQXEVSA-N 2 0 269.389 -0.337 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268336007 827307889 /nfs/dbraw/zinc/30/78/89/827307889.db2.gz QCOMZRQMXJEESF-UONOGXRCSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[NH2+]C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001268666877 827396774 /nfs/dbraw/zinc/39/67/74/827396774.db2.gz DALKNTFDPSTGOB-GFCCVEGCSA-N 2 0 267.373 -0.175 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001268673415 827400374 /nfs/dbraw/zinc/40/03/74/827400374.db2.gz IUDMJSCJWVMDDG-GFCCVEGCSA-N 2 0 282.388 -0.521 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001269505662 827514945 /nfs/dbraw/zinc/51/49/45/827514945.db2.gz KIRSYTPAOXOEDM-UHFFFAOYSA-N 2 0 289.383 -0.070 20 30 CBEDRP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001271170249 827671803 /nfs/dbraw/zinc/67/18/03/827671803.db2.gz JGZNTRDXOZJIMY-NWDGAFQWSA-N 2 0 297.403 -0.597 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272455740 827800959 /nfs/dbraw/zinc/80/09/59/827800959.db2.gz VNYMZGAYYYGFRK-NEPJUHHUSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273358769 827892238 /nfs/dbraw/zinc/89/22/38/827892238.db2.gz LBDOPRXVSJQNKT-ZDUSSCGKSA-N 2 0 265.357 -0.468 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001273929448 827942535 /nfs/dbraw/zinc/94/25/35/827942535.db2.gz KMBZTXUJGTWPLO-HOCLYGCPSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278017888 828231148 /nfs/dbraw/zinc/23/11/48/828231148.db2.gz QVRMEJDAPVOVQF-OLZOCXBDSA-N 2 0 294.399 -0.876 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278017889 828231412 /nfs/dbraw/zinc/23/14/12/828231412.db2.gz QVRMEJDAPVOVQF-QWHCGFSZSA-N 2 0 294.399 -0.876 20 30 CBEDRP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396659 828268075 /nfs/dbraw/zinc/26/80/75/828268075.db2.gz BPTGHEYDKUOADC-VXGBXAGGSA-N 2 0 295.387 -0.843 20 30 CBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCC#N)CC1 ZINC001348957979 890736197 /nfs/dbraw/zinc/73/61/97/890736197.db2.gz NNWCCFZQOXJRQF-ZDUSSCGKSA-N 2 0 254.378 -0.122 20 30 CBEDRP C=CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001278821685 884819845 /nfs/dbraw/zinc/81/98/45/884819845.db2.gz MHFWSPQKAKBCAL-OCCSQVGLSA-N 2 0 267.373 -0.323 20 30 CBEDRP CC[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC001326062694 884892884 /nfs/dbraw/zinc/89/28/84/884892884.db2.gz LMYNFJQAJHBJEA-ZDUSSCGKSA-N 2 0 281.404 -0.239 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001326148500 884924688 /nfs/dbraw/zinc/92/46/88/884924688.db2.gz MZFVGVDZRWGTOO-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC001326568519 885066677 /nfs/dbraw/zinc/06/66/77/885066677.db2.gz ZSVPFNCBCYTESU-DCAQKATOSA-N 2 0 254.334 -0.418 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC001326979174 885211647 /nfs/dbraw/zinc/21/16/47/885211647.db2.gz NSUPYALRQTWLFL-HUUCEWRRSA-N 2 0 291.395 -0.222 20 30 CBEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC001327131423 885268051 /nfs/dbraw/zinc/26/80/51/885268051.db2.gz RHDOEUFFDCWYBG-QJPTWQEYSA-N 2 0 268.361 -0.028 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001327857069 885503750 /nfs/dbraw/zinc/50/37/50/885503750.db2.gz RJBXXHVVDJJAME-GHMZBOCLSA-N 2 0 254.334 -0.498 20 30 CBEDRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001329520491 886106523 /nfs/dbraw/zinc/10/65/23/886106523.db2.gz IZKBUTCXGCPMMD-MNOVXSKESA-N 2 0 282.344 -0.629 20 30 CBEDRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001329520492 886106745 /nfs/dbraw/zinc/10/67/45/886106745.db2.gz IZKBUTCXGCPMMD-QWRGUYRKSA-N 2 0 282.344 -0.629 20 30 CBEDRP CC[C@@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331971230 887070787 /nfs/dbraw/zinc/07/07/87/887070787.db2.gz ZLBBVJKIBAFWRH-PCQVFGIUSA-N 2 0 250.346 -0.021 20 30 CBEDRP CC[C@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331971235 887070967 /nfs/dbraw/zinc/07/09/67/887070967.db2.gz ZLBBVJKIBAFWRH-ZRZGDYATSA-N 2 0 250.346 -0.021 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001332515645 887332344 /nfs/dbraw/zinc/33/23/44/887332344.db2.gz CJTURDLYAWNRLC-HUUCEWRRSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001332515647 887332377 /nfs/dbraw/zinc/33/23/77/887332377.db2.gz CJTURDLYAWNRLC-LSDHHAIUSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001332522065 887336879 /nfs/dbraw/zinc/33/68/79/887336879.db2.gz MLUMXSLZPIBWLE-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP N#CCCN1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332816493 887436566 /nfs/dbraw/zinc/43/65/66/887436566.db2.gz UYQJSXFMCDEQKM-ZDUSSCGKSA-N 2 0 264.373 -0.104 20 30 CBEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCc1cncn1C ZINC001335407227 888527128 /nfs/dbraw/zinc/52/71/28/888527128.db2.gz JQQOQMDPOPXWLQ-CYBMUJFWSA-N 2 0 265.361 -0.241 20 30 CBEDRP C[NH+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001336975535 888941673 /nfs/dbraw/zinc/94/16/73/888941673.db2.gz DCQZSGZQPBALNH-QWKFWESOSA-N 2 0 250.346 -0.196 20 30 CBEDRP C#CC[NH2+]CC(=O)NCC1(COC)CC[NH2+]CC1 ZINC001340164946 889402168 /nfs/dbraw/zinc/40/21/68/889402168.db2.gz RCBWYEWRWGOAMJ-UHFFFAOYSA-N 2 0 253.346 -0.658 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC001340710848 889471064 /nfs/dbraw/zinc/47/10/64/889471064.db2.gz WKOHHRPWGQSKPJ-CQSZACIVSA-N 2 0 279.384 -0.078 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001341098344 889542198 /nfs/dbraw/zinc/54/21/98/889542198.db2.gz RRGQOTFFMNKKAE-ZFWWWQNUSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC001341204832 889555885 /nfs/dbraw/zinc/55/58/85/889555885.db2.gz CUFONYLQMUXVRX-LBPRGKRZSA-N 2 0 265.357 -0.434 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC001342176974 889725208 /nfs/dbraw/zinc/72/52/08/889725208.db2.gz VLPUTXRKTIMPDE-ZDUSSCGKSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CC[NH2+]CC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC001343422901 889905729 /nfs/dbraw/zinc/90/57/29/889905729.db2.gz AQUQGMIRCXZHMX-NWDGAFQWSA-N 2 0 253.346 -0.565 20 30 CBEDRP C[C@@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[NH2+]C1 ZINC001353067183 891355126 /nfs/dbraw/zinc/35/51/26/891355126.db2.gz DRAXCXVUPWNTQW-HJGSJEJJSA-N 2 0 262.357 -0.006 20 30 CBEDRP C[C@H]([NH3+])CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001353067097 891355484 /nfs/dbraw/zinc/35/54/84/891355484.db2.gz CHMUQRZQRKGPGA-URAGZPLESA-N 2 0 250.346 -0.069 20 30 CBEDRP COC[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001355651357 891698047 /nfs/dbraw/zinc/69/80/47/891698047.db2.gz LVUDQALLKUANJG-CYBMUJFWSA-N 2 0 265.357 -0.564 20 30 CBEDRP C#CCNC(=O)CC[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC001356609819 891784047 /nfs/dbraw/zinc/78/40/47/891784047.db2.gz UATDUYAAZREZJO-AWEZNQCLSA-N 2 0 280.416 -0.259 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379281741 898534282 /nfs/dbraw/zinc/53/42/82/898534282.db2.gz FGNVYBXOETUJMP-MNOVXSKESA-N 2 0 275.780 -0.243 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001401575853 902172245 /nfs/dbraw/zinc/17/22/45/902172245.db2.gz GLYOGRQHFQLLRM-LLVKDONJSA-N 2 0 287.791 -0.099 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001502895229 921404694 /nfs/dbraw/zinc/40/46/94/921404694.db2.gz ABLVTYDYFPFTEA-UHFFFAOYSA-N 2 0 279.384 -0.342 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507232237 921764212 /nfs/dbraw/zinc/76/42/12/921764212.db2.gz KJAKPHYEKGFTPV-OLZOCXBDSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=C(C)C[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001507232153 921764338 /nfs/dbraw/zinc/76/43/38/921764338.db2.gz MKTXEOQOHZQPST-ZDUSSCGKSA-N 2 0 269.389 -0.029 20 30 CBEDRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001471630142 915604301 /nfs/dbraw/zinc/60/43/01/915604301.db2.gz LIQGCAPSKZTLIU-KBPBESRZSA-N 2 0 296.415 -0.352 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480174033 916317597 /nfs/dbraw/zinc/31/75/97/916317597.db2.gz QCRXCUYZZNMPFH-JOCQHMNTSA-N 2 0 294.399 -0.687 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480531265 916459158 /nfs/dbraw/zinc/45/91/58/916459158.db2.gz XBKREUUWZLQFQA-GFCCVEGCSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001481874210 917012914 /nfs/dbraw/zinc/01/29/14/917012914.db2.gz FSUIZYNTJYXGMJ-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484246716 917786238 /nfs/dbraw/zinc/78/62/38/917786238.db2.gz NYXOQZBBFJYGLR-INIZCTEOSA-N 2 0 291.395 -0.342 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484252890 917790836 /nfs/dbraw/zinc/79/08/36/917790836.db2.gz XYIUTLLUJLOZQC-DZGCQCFKSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001484498840 917880050 /nfs/dbraw/zinc/88/00/50/917880050.db2.gz YWIFMDQSINJZOU-UHFFFAOYSA-N 2 0 265.357 -0.874 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485228530 918031720 /nfs/dbraw/zinc/03/17/20/918031720.db2.gz VIESKQRNHQWEGK-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001486041382 918339183 /nfs/dbraw/zinc/33/91/83/918339183.db2.gz PQGFUMWTQHPPBF-CQSZACIVSA-N 2 0 281.400 -0.192 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001486053361 918351356 /nfs/dbraw/zinc/35/13/56/918351356.db2.gz ZMMYPMQMQGPIML-CHWSQXEVSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@@H+](C)CCC ZINC001486313694 918423587 /nfs/dbraw/zinc/42/35/87/918423587.db2.gz FJVBWZYWSRCZOU-CYBMUJFWSA-N 2 0 269.389 -0.240 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001486318434 918424033 /nfs/dbraw/zinc/42/40/33/918424033.db2.gz SMYSKRKGNOZCSW-CQSZACIVSA-N 2 0 299.415 -0.615 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001497898561 920422463 /nfs/dbraw/zinc/42/24/63/920422463.db2.gz BPPONIVZCSAAKE-VXGBXAGGSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001498021694 920445403 /nfs/dbraw/zinc/44/54/03/920445403.db2.gz JFILRGJOKLKCOS-NWDGAFQWSA-N 2 0 282.388 -0.523 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500695391 920863883 /nfs/dbraw/zinc/86/38/83/920863883.db2.gz KXZPUQWUMPEQCS-OAHLLOKOSA-N 2 0 291.395 -0.199 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500762218 920879174 /nfs/dbraw/zinc/87/91/74/920879174.db2.gz DSGIJRZCFZCQQG-HIFRSBDPSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501364442 920979035 /nfs/dbraw/zinc/97/90/35/920979035.db2.gz NHKRUVKONRJXLE-HOCLYGCPSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501364443 920979557 /nfs/dbraw/zinc/97/95/57/920979557.db2.gz NHKRUVKONRJXLE-ZBFHGGJFSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCN(CCNC(=O)Cn1ccnc1C)CCOC ZINC001508056645 921908669 /nfs/dbraw/zinc/90/86/69/921908669.db2.gz WZJWOHYAHYJDOJ-UHFFFAOYSA-N 2 0 278.356 -0.111 20 30 CBEDRP CC1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)CC2(C[NH2+]C2)O1 ZINC001548577978 923404386 /nfs/dbraw/zinc/40/43/86/923404386.db2.gz JJAHAYGNYJXYSC-LLVKDONJSA-N 2 0 280.372 -0.013 20 30 CBEDRP OC[C@@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1CO ZINC000351266422 353475077 /nfs/dbraw/zinc/47/50/77/353475077.db2.gz DJVINPBQWZOVRB-KBPBESRZSA-N 2 0 252.358 -0.097 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000491392318 354456174 /nfs/dbraw/zinc/45/61/74/354456174.db2.gz BRCOZTVMEMWDHR-LBPRGKRZSA-N 2 0 252.362 -0.055 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000595974924 355333252 /nfs/dbraw/zinc/33/32/52/355333252.db2.gz BTXGDTAZRBDLJU-UONOGXRCSA-N 2 0 293.415 -0.096 20 30 CBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+] ZINC000600735030 355564005 /nfs/dbraw/zinc/56/40/05/355564005.db2.gz JNAXUGBEEPPSLY-JTQLQIEISA-N 2 0 272.349 -0.706 20 30 CBEDRP CN(CCC#N)C(=O)CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000611302351 355800763 /nfs/dbraw/zinc/80/07/63/355800763.db2.gz KXFJMAFSYOPJPH-RYUDHWBXSA-N 2 0 250.346 -0.100 20 30 CBEDRP C[NH+](CC#CC[N@@H+](C)C1(CO)CC1)C1(CO)CC1 ZINC000353158178 373110779 /nfs/dbraw/zinc/11/07/79/373110779.db2.gz YEOPASPBGSXCJD-UHFFFAOYSA-N 2 0 252.358 -0.097 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000491747016 373708083 /nfs/dbraw/zinc/70/80/83/373708083.db2.gz VWXBZHVIWISNDL-VXGBXAGGSA-N 2 0 252.362 -0.070 20 30 CBEDRP N#Cc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])o1 ZINC000514734815 373763504 /nfs/dbraw/zinc/76/35/04/373763504.db2.gz MJMAJRIFMVYXTB-UHFFFAOYSA-N 2 0 286.357 -0.160 20 30 CBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NC[C@H]2CCCO2)C1 ZINC000262312149 220249594 /nfs/dbraw/zinc/24/95/94/220249594.db2.gz PYSIAKPMXIZEJG-PWSUYJOCSA-N 2 0 256.350 -0.864 20 30 CBEDRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])N2CCSCC2)C1 ZINC000262347582 220249924 /nfs/dbraw/zinc/24/99/24/220249924.db2.gz YHFUEPQAIACNAS-NSHDSACASA-N 2 0 258.391 -0.584 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC2=[NH+]CCN2C)CC1 ZINC000262664341 220256026 /nfs/dbraw/zinc/25/60/26/220256026.db2.gz NZEPEBADOYJEQW-GFCCVEGCSA-N 2 0 253.394 -0.097 20 30 CBEDRP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262819240 220257462 /nfs/dbraw/zinc/25/74/62/220257462.db2.gz XPFBEXVTBVHCQJ-OLZOCXBDSA-N 2 0 281.404 -0.670 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262799375 220258156 /nfs/dbraw/zinc/25/81/56/220258156.db2.gz QMEYQAGDHYQDRP-SECBINFHSA-N 2 0 266.353 -0.901 20 30 CBEDRP C=CCNC(=O)CNC(=[NH2+])NC[C@H]1CCC[N@H+]1CC ZINC000271964582 220273444 /nfs/dbraw/zinc/27/34/44/220273444.db2.gz SDSZQFXSFNEARV-LLVKDONJSA-N 2 0 267.377 -0.323 20 30 CBEDRP C[NH+]=C(NCCN1CCC[N@H+](C)CC1)NC1CC1 ZINC000303391697 220325272 /nfs/dbraw/zinc/32/52/72/220325272.db2.gz DYOMPQUDAGAKPU-UHFFFAOYSA-N 2 0 253.394 -0.049 20 30 CBEDRP C=CC[C@@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000662812798 419733163 /nfs/dbraw/zinc/73/31/63/419733163.db2.gz FTWNUYLMYOCNTF-YPMHNXCESA-N 2 0 253.346 -0.211 20 30 CBEDRP C=CC[C@]1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000662812787 419734435 /nfs/dbraw/zinc/73/44/35/419734435.db2.gz FTWNUYLMYOCNTF-WCQYABFASA-N 2 0 253.346 -0.211 20 30 CBEDRP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000262777408 275802725 /nfs/dbraw/zinc/80/27/25/275802725.db2.gz NWYUWCAXMVOSNS-GFCCVEGCSA-N 2 0 251.378 -0.296 20 30 CBEDRP CCOCCCNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000170913291 329072417 /nfs/dbraw/zinc/07/24/17/329072417.db2.gz NMJKENZODZVRIG-LLVKDONJSA-N 2 0 258.366 -0.352 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000491652593 332265256 /nfs/dbraw/zinc/26/52/56/332265256.db2.gz ALMALRAOJSUSHM-UHFFFAOYSA-N 2 0 296.415 -0.037 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000491793970 332353914 /nfs/dbraw/zinc/35/39/14/332353914.db2.gz NWVKFLDYYGZDDN-LBPRGKRZSA-N 2 0 252.362 -0.055 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000491815572 332366398 /nfs/dbraw/zinc/36/63/98/332366398.db2.gz PLRVXGXZQJJZJB-UHFFFAOYSA-N 2 0 280.416 -0.257 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014871 333079091 /nfs/dbraw/zinc/07/90/91/333079091.db2.gz LBLRQHUAURWTFN-LLVKDONJSA-N 2 0 283.376 -0.174 20 30 CBEDRP C=C(C)COCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000577484949 335354463 /nfs/dbraw/zinc/35/44/63/335354463.db2.gz NZDBORSHDIQQHH-CQSZACIVSA-N 2 0 271.405 -0.223 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000104169884 582113171 /nfs/dbraw/zinc/11/31/71/582113171.db2.gz DMTGTRLYEUCSIX-ZDUSSCGKSA-N 2 0 285.436 -0.047 20 30 CBEDRP CCOCCCNC(=[NH2+])NCCN1CC[NH+](CC)CC1 ZINC000104168479 582113184 /nfs/dbraw/zinc/11/31/84/582113184.db2.gz WIJGCOXTOLQCKS-UHFFFAOYSA-N 2 0 285.436 -0.045 20 30 CBEDRP CCN1CC[NH+](C[C@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104174653 582113310 /nfs/dbraw/zinc/11/33/10/582113310.db2.gz XZMVHUOHMPJFHI-CQSZACIVSA-N 2 0 297.447 -0.093 20 30 CBEDRP C[NH+]1CCN(c2ccc(C=[NH+]NCC(N)=O)cc2)CC1 ZINC000758903707 582309207 /nfs/dbraw/zinc/30/92/07/582309207.db2.gz KIQZFKLGEKVJBU-UHFFFAOYSA-N 2 0 275.356 -0.153 20 30 CBEDRP C#CCCCNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000806912433 582438127 /nfs/dbraw/zinc/43/81/27/582438127.db2.gz GOQZVKYBOYDATF-UHFFFAOYSA-N 2 0 296.415 -0.532 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000834484792 583124584 /nfs/dbraw/zinc/12/45/84/583124584.db2.gz MZABBKDHXUUFTR-OPRDCNLKSA-N 2 0 254.359 -0.691 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000834485056 583124992 /nfs/dbraw/zinc/12/49/92/583124992.db2.gz RDUDMBIDOZMQRC-RVMXOQNASA-N 2 0 262.357 -0.150 20 30 CBEDRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841850054 583175182 /nfs/dbraw/zinc/17/51/82/583175182.db2.gz VTPMFKARMZSMEN-OUAUKWLOSA-N 2 0 250.346 -0.008 20 30 CBEDRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841850052 583175268 /nfs/dbraw/zinc/17/52/68/583175268.db2.gz VTPMFKARMZSMEN-GMTAPVOTSA-N 2 0 250.346 -0.008 20 30 CBEDRP C[NH+]=C(NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)NC1CC1 ZINC000849000313 583466100 /nfs/dbraw/zinc/46/61/00/583466100.db2.gz ROLMJZIGHAPDFV-NSHDSACASA-N 2 0 281.404 -0.099 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC1([NH+](C)C)CCC1 ZINC000849020543 583468855 /nfs/dbraw/zinc/46/88/55/583468855.db2.gz DWAHJQYETKBQQZ-UHFFFAOYSA-N 2 0 297.447 -0.032 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)C[NH+](C)C ZINC000849030295 583470025 /nfs/dbraw/zinc/47/00/25/583470025.db2.gz JEPSUDLRBUNAJZ-CYBMUJFWSA-N 2 0 285.436 -0.319 20 30 CBEDRP CN1CCN(C(=O)C#CC2CC[NH2+]CC2)[C@@H](C[NH3+])C1 ZINC000852797832 583553323 /nfs/dbraw/zinc/55/33/23/583553323.db2.gz CAAQBEZROAZTBO-ZDUSSCGKSA-N 2 0 264.373 -0.909 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000852881456 583567041 /nfs/dbraw/zinc/56/70/41/583567041.db2.gz WTJVXFYTGOUHFA-OAHLLOKOSA-N 2 0 290.411 -0.505 20 30 CBEDRP COC[C@]1(CNC(=O)C#CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000852881525 583567139 /nfs/dbraw/zinc/56/71/39/583567139.db2.gz XMTVVEHUCNFGSN-OAHLLOKOSA-N 2 0 279.384 -0.126 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCCO1 ZINC000852882665 583567421 /nfs/dbraw/zinc/56/74/21/583567421.db2.gz NTUHFLGULZDCKO-CYBMUJFWSA-N 2 0 265.357 -0.516 20 30 CBEDRP [NH3+]C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCCO1 ZINC000852893245 583570697 /nfs/dbraw/zinc/57/06/97/583570697.db2.gz TWDOCCADXDJPPU-CYBMUJFWSA-N 2 0 265.357 -0.434 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000853079329 583577623 /nfs/dbraw/zinc/57/76/23/583577623.db2.gz ZQEIMTRFMWPSKY-OCCSQVGLSA-N 2 0 279.384 -0.033 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000853079331 583577606 /nfs/dbraw/zinc/57/76/06/583577606.db2.gz ZQEIMTRFMWPSKY-TZMCWYRMSA-N 2 0 279.384 -0.033 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000853079325 583577680 /nfs/dbraw/zinc/57/76/80/583577680.db2.gz ZQEIMTRFMWPSKY-GXTWGEPZSA-N 2 0 279.384 -0.033 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861634977 583773694 /nfs/dbraw/zinc/77/36/94/583773694.db2.gz WEBHFJBEWVRGTB-NWDGAFQWSA-N 2 0 252.362 -0.009 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861713585 583780625 /nfs/dbraw/zinc/78/06/25/583780625.db2.gz DFFKNJWVGFHNBX-CHWSQXEVSA-N 2 0 267.373 -0.228 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861768554 583785405 /nfs/dbraw/zinc/78/54/05/583785405.db2.gz KGWWMIGIOPBLMS-NSHDSACASA-N 2 0 282.388 -0.441 20 30 CBEDRP CCNC(NCCC[N@@H+]1CCC[C@H]1C(N)=O)=[NH+]CC ZINC000864355115 583880989 /nfs/dbraw/zinc/88/09/89/583880989.db2.gz CJZHBMFZZWNSJD-NSHDSACASA-N 2 0 269.393 -0.099 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000875623790 584111907 /nfs/dbraw/zinc/11/19/07/584111907.db2.gz VYKUCVIVWDDWCM-CYBMUJFWSA-N 2 0 282.388 -0.693 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847209 584149146 /nfs/dbraw/zinc/14/91/46/584149146.db2.gz IQVRUCZMQLJKPA-NWDGAFQWSA-N 2 0 286.807 -0.038 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958595731 613034194 /nfs/dbraw/zinc/03/41/94/613034194.db2.gz UVKYGSHJSWRCNO-ZIAGYGMSSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219791 613303589 /nfs/dbraw/zinc/30/35/89/613303589.db2.gz NWJVHSCVSJVFGE-HIFRSBDPSA-N 2 0 298.346 -0.010 20 30 CBEDRP C#CCN1CCC[C@@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC000923572944 658335001 /nfs/dbraw/zinc/33/50/01/658335001.db2.gz HUFIVXXFICOLJY-ZIAGYGMSSA-N 2 0 279.384 -0.079 20 30 CBEDRP CNC(NCCCN1CCN(c2ncccn2)CC1)=[NH+]C ZINC000161490618 656078181 /nfs/dbraw/zinc/07/81/81/656078181.db2.gz NRMMFCLQQLNEFJ-UHFFFAOYSA-N 2 0 291.403 -0.217 20 30 CBEDRP C[NH+]=C(NCc1ccn(C)c1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262109960 656128820 /nfs/dbraw/zinc/12/88/20/656128820.db2.gz ZXULMHHPAPSYEK-AWEZNQCLSA-N 2 0 290.415 -0.310 20 30 CBEDRP COCCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303385977 656138892 /nfs/dbraw/zinc/13/88/92/656138892.db2.gz WDQGCBOERHQQTQ-LBPRGKRZSA-N 2 0 271.409 -0.579 20 30 CBEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303388519 656138905 /nfs/dbraw/zinc/13/89/05/656138905.db2.gz XLUQAKSDTNUZQR-ZDUSSCGKSA-N 2 0 285.436 -0.189 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCCOC ZINC000303786986 656139750 /nfs/dbraw/zinc/13/97/50/656139750.db2.gz RYBLSKSKOYDIEP-LLVKDONJSA-N 2 0 285.392 -0.862 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000303896185 656140209 /nfs/dbraw/zinc/14/02/09/656140209.db2.gz PUJAWXFOGBJVBO-STQMWFEESA-N 2 0 285.436 -0.048 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000884642400 656253598 /nfs/dbraw/zinc/25/35/98/656253598.db2.gz IGKTZDIOWACJDD-UHFFFAOYSA-N 2 0 296.415 -0.003 20 30 CBEDRP CN1CC[N@H+](C)CC(C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC000906601924 656393691 /nfs/dbraw/zinc/39/36/91/656393691.db2.gz WPUPUKHUKFKQGP-UHFFFAOYSA-N 2 0 293.415 -0.416 20 30 CBEDRP C#CC[NH+](C)CCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908437002 656727339 /nfs/dbraw/zinc/72/73/39/656727339.db2.gz LGXLUQCBUVPSHA-UHFFFAOYSA-N 2 0 280.416 -0.449 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([NH2+]CCO)C2)CC1 ZINC001000990306 656779933 /nfs/dbraw/zinc/77/99/33/656779933.db2.gz BSDUVZJAERQSBZ-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879520 657153522 /nfs/dbraw/zinc/15/35/22/657153522.db2.gz MZBHWOAHGZJWOW-VXGBXAGGSA-N 2 0 254.378 -0.229 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCO)CC1 ZINC000912608875 657297838 /nfs/dbraw/zinc/29/78/38/657297838.db2.gz PFIHBPRUTKMUOK-UHFFFAOYSA-N 2 0 281.400 -0.286 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913524573 657493292 /nfs/dbraw/zinc/49/32/92/657493292.db2.gz SDYHSTHUOBWIDA-DGCLKSJQSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001021090309 658150664 /nfs/dbraw/zinc/15/06/64/658150664.db2.gz SOLKOPBHYDMLFD-QEJZJMRPSA-N 2 0 293.411 -0.051 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001021090308 658151700 /nfs/dbraw/zinc/15/17/00/658151700.db2.gz SOLKOPBHYDMLFD-BPLDGKMQSA-N 2 0 293.411 -0.051 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1C ZINC000924978114 658683467 /nfs/dbraw/zinc/68/34/67/658683467.db2.gz VEUOMONEQIPBMI-RYUDHWBXSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000928647660 659057450 /nfs/dbraw/zinc/05/74/50/659057450.db2.gz IKEVLWYNMIQJSC-ZFWWWQNUSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001077023672 805672532 /nfs/dbraw/zinc/67/25/32/805672532.db2.gz MUHBEEPSEPYXDJ-AAVRWANBSA-N 2 0 279.384 -0.489 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001077618623 805756070 /nfs/dbraw/zinc/75/60/70/805756070.db2.gz NMOHDKLXJHWLSU-ZIAGYGMSSA-N 2 0 279.384 -0.487 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)C12CC[NH+](CC1)C2 ZINC001147976842 814928318 /nfs/dbraw/zinc/92/83/18/814928318.db2.gz BQNRFQYPHVSIHT-UHFFFAOYSA-N 2 0 267.373 -0.009 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368536 806170716 /nfs/dbraw/zinc/17/07/16/806170716.db2.gz GJRSJLLWRJNTRW-MGPQQGTHSA-N 2 0 279.384 -0.223 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001083472709 806336092 /nfs/dbraw/zinc/33/60/92/806336092.db2.gz MUHBEEPSEPYXDJ-SYQHCUMBSA-N 2 0 279.384 -0.489 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H](O)C1 ZINC001083727188 806416907 /nfs/dbraw/zinc/41/69/07/806416907.db2.gz PCQINYOLKWIMIY-XQLPTFJDSA-N 2 0 293.411 -0.099 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2O)CC1 ZINC001084087958 806486489 /nfs/dbraw/zinc/48/64/89/806486489.db2.gz JVBJKSUKGZYIJF-CABCVRRESA-N 2 0 293.411 -0.099 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025797891 798977403 /nfs/dbraw/zinc/97/74/03/798977403.db2.gz YXSYBELVTCWJLW-VQJWOFKYSA-N 2 0 289.379 -0.471 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001029004016 799186342 /nfs/dbraw/zinc/18/63/42/799186342.db2.gz RZGUMXODXJSDEQ-AWEZNQCLSA-N 2 0 293.411 -0.238 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001046849574 801798050 /nfs/dbraw/zinc/79/80/50/801798050.db2.gz HMISCVGYDYFESR-MRXNPFEDSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001047324728 801835630 /nfs/dbraw/zinc/83/56/30/801835630.db2.gz VZEQGSIOUUNQHZ-IHRRRGAJSA-N 2 0 279.384 -0.393 20 30 CBEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001047553779 801898178 /nfs/dbraw/zinc/89/81/78/801898178.db2.gz XGMUPEZCNXGORX-GJZGRUSLSA-N 2 0 293.411 -0.145 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415640 814250915 /nfs/dbraw/zinc/25/09/15/814250915.db2.gz ILDJPIGJBQOBJR-CYBMUJFWSA-N 2 0 282.388 -0.972 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834174 814303938 /nfs/dbraw/zinc/30/39/38/814303938.db2.gz PWLIHWUMYBLUMP-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321562861 803784559 /nfs/dbraw/zinc/78/45/59/803784559.db2.gz HSVSOCQRKKPIOD-NEPJUHHUSA-N 2 0 295.387 -0.795 20 30 CBEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001322042309 803854555 /nfs/dbraw/zinc/85/45/55/803854555.db2.gz QFERUKNCROXLKL-ZDUSSCGKSA-N 2 0 279.384 -0.174 20 30 CBEDRP COCC#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001323349537 804014380 /nfs/dbraw/zinc/01/43/80/804014380.db2.gz AGKSBXANBOMFAQ-KGLIPLIRSA-N 2 0 279.384 -0.222 20 30 CBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC001325880104 804330578 /nfs/dbraw/zinc/33/05/78/804330578.db2.gz RCWOZRVFNLTCPQ-MJBXVCDLSA-N 2 0 266.389 -0.123 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001152136933 815106517 /nfs/dbraw/zinc/10/65/17/815106517.db2.gz JADCFDLRJYDGTL-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)N(C)C)CC1 ZINC001152329832 815115376 /nfs/dbraw/zinc/11/53/76/815115376.db2.gz BZODXRXUWYWNRL-UHFFFAOYSA-N 2 0 294.399 -0.874 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001152445223 815122481 /nfs/dbraw/zinc/12/24/81/815122481.db2.gz DUSMEPKSBDSHFZ-ZDUSSCGKSA-N 2 0 296.415 -0.131 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152446331 815123355 /nfs/dbraw/zinc/12/33/55/815123355.db2.gz XRNVQMDFXJWZRZ-GFCCVEGCSA-N 2 0 284.404 -0.277 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155821865 815314799 /nfs/dbraw/zinc/31/47/99/815314799.db2.gz DKSXVTFQTZJLTM-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP N#C[C@@H]1CCCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160635850 815646214 /nfs/dbraw/zinc/64/62/14/815646214.db2.gz DXFMACAGJPJDCW-QWHCGFSZSA-N 2 0 279.388 -0.359 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCO)C2)CC1 ZINC001086278282 810254640 /nfs/dbraw/zinc/25/46/40/810254640.db2.gz PNLMLCXAPAGFHB-OTVXOJSOSA-N 2 0 293.411 -0.192 20 30 CBEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090814748 810568999 /nfs/dbraw/zinc/56/89/99/810568999.db2.gz LHMFDFQBDIQVND-KGLIPLIRSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001090814750 810569465 /nfs/dbraw/zinc/56/94/65/810569465.db2.gz LHMFDFQBDIQVND-ZIAGYGMSSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC)C[C@H]2O)CC1 ZINC001090832026 810575357 /nfs/dbraw/zinc/57/53/57/810575357.db2.gz XVFVFVKOFQXKJO-LSDHHAIUSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099985915 810984496 /nfs/dbraw/zinc/98/44/96/810984496.db2.gz GYHFPFBZPUSCQY-CHWSQXEVSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099987242 810985650 /nfs/dbraw/zinc/98/56/50/810985650.db2.gz WULYARUPHUABHG-UONOGXRCSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100064122 811009817 /nfs/dbraw/zinc/00/98/17/811009817.db2.gz IJOZLHCEHCOITD-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073343 811014104 /nfs/dbraw/zinc/01/41/04/811014104.db2.gz CGXCCRUVOUQISH-KGLIPLIRSA-N 2 0 297.399 -0.861 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076002 811014178 /nfs/dbraw/zinc/01/41/78/811014178.db2.gz DNOWUZMYHJIMCC-KGLIPLIRSA-N 2 0 297.399 -0.861 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100131857 811025480 /nfs/dbraw/zinc/02/54/80/811025480.db2.gz JUFRPNACFMBMGP-UONOGXRCSA-N 2 0 281.400 -0.099 20 30 CBEDRP C#CC[NH2+]C1CC(CNC(=O)COCC[NH+](C)C)C1 ZINC001100867392 811082546 /nfs/dbraw/zinc/08/25/46/811082546.db2.gz TUAGAVYOVXSBJN-UHFFFAOYSA-N 2 0 267.373 -0.318 20 30 CBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114041747 811711496 /nfs/dbraw/zinc/71/14/96/811711496.db2.gz PUEUFIRWCDVITM-BARDWOONSA-N 2 0 291.395 -0.223 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157981677 815494612 /nfs/dbraw/zinc/49/46/12/815494612.db2.gz GIWAXKJBKIIFEL-RYUDHWBXSA-N 2 0 267.377 -0.630 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115037907 812174160 /nfs/dbraw/zinc/17/41/60/812174160.db2.gz CYONEQUCTPFCHE-FOLVSLTJSA-N 2 0 291.395 -0.223 20 30 CBEDRP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126439 812180447 /nfs/dbraw/zinc/18/04/47/812180447.db2.gz NNZPXYAJAPQUNA-NHAGDIPZSA-N 2 0 279.384 -0.366 20 30 CBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242133 812187301 /nfs/dbraw/zinc/18/73/01/812187301.db2.gz WCTRTRUZYGLKTI-KBXIAJHMSA-N 2 0 291.395 -0.366 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118200532 812493972 /nfs/dbraw/zinc/49/39/72/812493972.db2.gz FDONNWSQLNEUAJ-QWHCGFSZSA-N 2 0 279.388 -0.486 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507058 815536615 /nfs/dbraw/zinc/53/66/15/815536615.db2.gz OYUQMBPPQZLQIG-KGLIPLIRSA-N 2 0 279.384 -0.031 20 30 CBEDRP C[NH2+]C[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001119298656 812746896 /nfs/dbraw/zinc/74/68/96/812746896.db2.gz FJSCJYAEZQLZDZ-YLXHPXFOSA-N 2 0 250.346 -0.150 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC001119360475 812766035 /nfs/dbraw/zinc/76/60/35/812766035.db2.gz ZZAFXRGFCCYFRD-HAQNSBGRSA-N 2 0 294.399 -0.394 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1Cc2nccn2C[C@H](C[NH+](C)C)C1 ZINC001159134451 815561146 /nfs/dbraw/zinc/56/11/46/815561146.db2.gz NXWJIQBNKRAOAI-WFASDCNBSA-N 2 0 289.383 -0.246 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC001120536611 812985956 /nfs/dbraw/zinc/98/59/56/812985956.db2.gz PJLCVDGAIVWICA-AWEZNQCLSA-N 2 0 296.415 -0.039 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC001122155040 813124875 /nfs/dbraw/zinc/12/48/75/813124875.db2.gz XWAGCQAACLBCJC-ZDUSSCGKSA-N 2 0 265.357 -0.421 20 30 CBEDRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC001122330735 813147569 /nfs/dbraw/zinc/14/75/69/813147569.db2.gz HQXSCBKHLSUVKK-NEPJUHHUSA-N 2 0 268.361 -0.156 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159847222 815599645 /nfs/dbraw/zinc/59/96/45/815599645.db2.gz VXLJJSRAUXJSDN-UHFFFAOYSA-N 2 0 296.415 -0.131 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129450205 813845837 /nfs/dbraw/zinc/84/58/37/813845837.db2.gz XRQNHUWIGNMYKZ-DGCLKSJQSA-N 2 0 296.415 -0.277 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130197399 813916750 /nfs/dbraw/zinc/91/67/50/813916750.db2.gz HQJIYYODAAJUHG-LLVKDONJSA-N 2 0 270.377 -0.665 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131520230 814038644 /nfs/dbraw/zinc/03/86/44/814038644.db2.gz VMXJQMBNLBMZNS-JVWICGRDSA-N 2 0 277.368 -0.421 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132882622 814197102 /nfs/dbraw/zinc/19/71/02/814197102.db2.gz GREBCEMEUFVHDX-STQMWFEESA-N 2 0 296.415 -0.275 20 30 CBEDRP C[C@H]1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC[N@@H+]1C ZINC001132883437 814197513 /nfs/dbraw/zinc/19/75/13/814197513.db2.gz SFBUYZYGGZPCON-RYUDHWBXSA-N 2 0 295.387 -0.938 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051942 814212918 /nfs/dbraw/zinc/21/29/18/814212918.db2.gz VYXWFLBDEOKKAV-GFCCVEGCSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434319 814253981 /nfs/dbraw/zinc/25/39/81/814253981.db2.gz NBPMIHZQFGIGCM-QWHCGFSZSA-N 2 0 296.415 -0.584 20 30 CBEDRP CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+](CC)CC ZINC001133684803 814287141 /nfs/dbraw/zinc/28/71/41/814287141.db2.gz MTHOOGBJHTYIHM-LBPRGKRZSA-N 2 0 297.403 -0.548 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133868110 814314055 /nfs/dbraw/zinc/31/40/55/814314055.db2.gz ZEZQXTRTOIUXNU-VXGBXAGGSA-N 2 0 282.388 -0.808 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869122 814314320 /nfs/dbraw/zinc/31/43/20/814314320.db2.gz BIDGCDRCJRMJEJ-OLZOCXBDSA-N 2 0 267.373 -0.460 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133894211 814319591 /nfs/dbraw/zinc/31/95/91/814319591.db2.gz XYQSUIBFPSAGIS-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134780591 814412536 /nfs/dbraw/zinc/41/25/36/814412536.db2.gz NKIZTHVVZAWMFX-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP N#Cc1c(N[C@@H]2C[NH2+]C[C@H]2CO)ncc2c1CCC[NH2+]C2 ZINC001159672138 815585018 /nfs/dbraw/zinc/58/50/18/815585018.db2.gz NFPCHVQMOWPFQO-SMDDNHRTSA-N 2 0 287.367 -0.019 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711172 814844381 /nfs/dbraw/zinc/84/43/81/814844381.db2.gz PYKMDOPTTXBAPV-LBPRGKRZSA-N 2 0 282.388 -0.828 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915675 815604815 /nfs/dbraw/zinc/60/48/15/815604815.db2.gz LUHWFMKAVAVEDJ-AWEZNQCLSA-N 2 0 294.399 -0.828 20 30 CBEDRP N#CCCN1CCN(C(=O)[C@H]([NH3+])CCC[NH3+])CC1 ZINC001160482296 815628593 /nfs/dbraw/zinc/62/85/93/815628593.db2.gz FPILKBLVCZQCEO-LLVKDONJSA-N 2 0 253.350 -0.890 20 30 CBEDRP Cc1ncc(C#N)c(N[C@]2(C[NH3+])CN3CCC2CC3)n1 ZINC001160512080 815632884 /nfs/dbraw/zinc/63/28/84/815632884.db2.gz RRXYZTFAKRDKQT-CQSZACIVSA-N 2 0 272.356 -0.086 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](C#N)C1 ZINC001160878039 815683745 /nfs/dbraw/zinc/68/37/45/815683745.db2.gz GMNYILUKRVXCIH-NEPJUHHUSA-N 2 0 268.361 -0.203 20 30 CBEDRP N#C[C@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160880525 815683768 /nfs/dbraw/zinc/68/37/68/815683768.db2.gz YMNSVFWKNYZOJV-RYUDHWBXSA-N 2 0 278.356 -0.388 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001161139180 815720604 /nfs/dbraw/zinc/72/06/04/815720604.db2.gz MQEZBGCMZOEIAY-MPPDQPJWSA-N 2 0 266.320 -0.352 20 30 CBEDRP C[C@H](C#N)N(C)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161144590 815720720 /nfs/dbraw/zinc/72/07/20/815720720.db2.gz NRONSSWFVJGMIF-MWLCHTKSSA-N 2 0 253.350 -0.893 20 30 CBEDRP C[C@@H](C#N)N(C)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161144591 815720883 /nfs/dbraw/zinc/72/08/83/815720883.db2.gz NRONSSWFVJGMIF-ONGXEEELSA-N 2 0 253.350 -0.893 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872667 815847034 /nfs/dbraw/zinc/84/70/34/815847034.db2.gz ZVCSACAHCFKSAO-OWYJLGKBSA-N 2 0 277.368 -0.421 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001162872052 815847572 /nfs/dbraw/zinc/84/75/72/815847572.db2.gz FKTPSCFRNJDVQV-NPCAHTBFSA-N 2 0 291.395 -0.031 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001317263282 816953318 /nfs/dbraw/zinc/95/33/18/816953318.db2.gz FMKBMZMSLYOKOB-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP COCC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001317287758 816958879 /nfs/dbraw/zinc/95/88/79/816958879.db2.gz CVQOOWHWQGVQIV-CHWSQXEVSA-N 2 0 267.373 -0.318 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC001320270383 817309198 /nfs/dbraw/zinc/30/91/98/817309198.db2.gz LUJKWGFDPHWZMG-GFCCVEGCSA-N 2 0 255.362 -0.419 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001320315553 817320894 /nfs/dbraw/zinc/32/08/94/817320894.db2.gz JAEGIKNUOAFVIA-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CS)C(=O)OC ZINC001220035909 824940187 /nfs/dbraw/zinc/94/01/87/824940187.db2.gz HTSRXHJGYBQIAT-IUCAKERBSA-N 2 0 277.390 -0.709 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166695022 820015391 /nfs/dbraw/zinc/01/53/91/820015391.db2.gz ZMDRIGRNBLRMBM-QWHCGFSZSA-N 2 0 294.399 -0.971 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001166708803 820018887 /nfs/dbraw/zinc/01/88/87/820018887.db2.gz WPBWOPSBVIZZTO-CHWSQXEVSA-N 2 0 296.415 -0.418 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001166708805 820019453 /nfs/dbraw/zinc/01/94/53/820019453.db2.gz WPBWOPSBVIZZTO-QWHCGFSZSA-N 2 0 296.415 -0.418 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176063881 820437700 /nfs/dbraw/zinc/43/77/00/820437700.db2.gz IFNHEXRLKZHAJI-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176117981 820441256 /nfs/dbraw/zinc/44/12/56/820441256.db2.gz GTGMSBAOVWAAGM-CYBMUJFWSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+][C@H](C)C(N)=O)CC1 ZINC001176926871 820481088 /nfs/dbraw/zinc/48/10/88/820481088.db2.gz YKUHHRCHVWESSO-GFCCVEGCSA-N 2 0 294.399 -0.699 20 30 CBEDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C#Cc1cccnc1 ZINC001177781272 820539125 /nfs/dbraw/zinc/53/91/25/820539125.db2.gz NESSBAWKXMPJEH-UHFFFAOYSA-N 2 0 259.313 -0.106 20 30 CBEDRP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178417797 820581127 /nfs/dbraw/zinc/58/11/27/820581127.db2.gz DQAHKFZQLKUSDM-IHRRRGAJSA-N 2 0 279.384 -0.081 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H]1C ZINC001179472665 820630696 /nfs/dbraw/zinc/63/06/96/820630696.db2.gz REOJPXUCLKGTFP-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181652377 820807102 /nfs/dbraw/zinc/80/71/02/820807102.db2.gz LZWBHMCBCPTCEB-CHWSQXEVSA-N 2 0 294.399 -0.427 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185400554 821127474 /nfs/dbraw/zinc/12/74/74/821127474.db2.gz CLBDCXLKIQZPHU-QWHCGFSZSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001279736329 828336402 /nfs/dbraw/zinc/33/64/02/828336402.db2.gz BWTURDHFGDOBSI-ZDUSSCGKSA-N 2 0 269.389 -0.384 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001187835424 822298993 /nfs/dbraw/zinc/29/89/93/822298993.db2.gz XMUVDMUMQLBLFE-CYBMUJFWSA-N 2 0 294.399 -0.425 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001283773452 828547447 /nfs/dbraw/zinc/54/74/47/828547447.db2.gz ZXDONTRIFOVMSN-AWEZNQCLSA-N 2 0 293.411 -0.048 20 30 CBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001195859952 824134275 /nfs/dbraw/zinc/13/42/75/824134275.db2.gz PIEWLCXWUFJCDM-CHWSQXEVSA-N 2 0 285.388 -0.698 20 30 CBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001196268449 824156213 /nfs/dbraw/zinc/15/62/13/824156213.db2.gz UGGVGDFIPXIXJP-HZSPNIEDSA-N 2 0 299.415 -0.310 20 30 CBEDRP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001197057511 824177103 /nfs/dbraw/zinc/17/71/03/824177103.db2.gz CPMVUCUXGZSHAC-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832331 824562097 /nfs/dbraw/zinc/56/20/97/824562097.db2.gz NNPWZUWUICBYJV-VEGXAWMVSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832279 824562330 /nfs/dbraw/zinc/56/23/30/824562330.db2.gz NNPWZUWUICBYJV-CLPYTZEMSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217910895 824564170 /nfs/dbraw/zinc/56/41/70/824564170.db2.gz NNPWZUWUICBYJV-VLJOUNFMSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@]1(N)CC[NH2+]C1)C[NH2+]CC2 ZINC001218552466 824590375 /nfs/dbraw/zinc/59/03/75/824590375.db2.gz GNOAYQSTRYHPFD-CYBMUJFWSA-N 2 0 291.380 -0.105 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[C@H]([NH3+])CN1)C[NH2+]CC2 ZINC001218552642 824590569 /nfs/dbraw/zinc/59/05/69/824590569.db2.gz JULHGGPENJVNJD-XVKPBYJWSA-N 2 0 291.380 -0.107 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@H]([NH3+])C2CC[NH2+]CC2)c(C#C)n1 ZINC001218657387 824618186 /nfs/dbraw/zinc/61/81/86/824618186.db2.gz KSRJZVPLMFNRNX-CYBMUJFWSA-N 2 0 283.335 -0.295 20 30 CBEDRP N#Cc1c(N)nn(C(=O)c2ccc([C@@H](N)C[NH3+])cc2)c1N ZINC001218660699 824618760 /nfs/dbraw/zinc/61/87/60/824618760.db2.gz QQDGLQPGTFQWNW-JTQLQIEISA-N 2 0 285.311 -0.434 20 30 CBEDRP Cn1cc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C#N)n1 ZINC001218669241 824620175 /nfs/dbraw/zinc/62/01/75/824620175.db2.gz YGGSMRCTSMJCBK-MRVPVSSYSA-N 2 0 260.301 -0.961 20 30 CBEDRP N#CC1(CNC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CCC1 ZINC001219632821 824865285 /nfs/dbraw/zinc/86/52/85/824865285.db2.gz QUOUUGTYUVPSJI-GFCCVEGCSA-N 2 0 279.388 -0.453 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001219801159 824896238 /nfs/dbraw/zinc/89/62/38/824896238.db2.gz UNWJZQZIJTZZPV-PWSUYJOCSA-N 2 0 251.330 -0.778 20 30 CBEDRP C=CCN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219811935 824898009 /nfs/dbraw/zinc/89/80/09/824898009.db2.gz DGFURGREJFZNPX-OLZOCXBDSA-N 2 0 267.373 -0.182 20 30 CBEDRP N#Cc1ccccc1[C@H]1C[NH2+]C[C@@H]1C(=O)NCC[NH3+] ZINC001219870606 824906042 /nfs/dbraw/zinc/90/60/42/824906042.db2.gz LZKGZQLIRQEZCN-OLZOCXBDSA-N 2 0 258.325 -0.064 20 30 CBEDRP CC(=O)/C=C(/C)NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001219910311 824913534 /nfs/dbraw/zinc/91/35/34/824913534.db2.gz XHLZRQWULKUYTG-ZVBGUDQZSA-N 2 0 251.330 -0.206 20 30 CBEDRP N#CN=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccncc1 ZINC001219972751 824926508 /nfs/dbraw/zinc/92/65/08/824926508.db2.gz VNPVQPGGCNZDCC-NSHDSACASA-N 2 0 274.328 -0.118 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220124730 824960176 /nfs/dbraw/zinc/96/01/76/824960176.db2.gz IQUQKLRCXHJLDB-LLVKDONJSA-N 2 0 269.345 -0.451 20 30 CBEDRP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220276466 825004112 /nfs/dbraw/zinc/00/41/12/825004112.db2.gz BERQSMZRQUOOOH-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP O=C(/C=C/NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2)C(F)(F)F ZINC001220343655 825019530 /nfs/dbraw/zinc/01/95/30/825019530.db2.gz WKSJWSVRPDOQLU-SUKRYRIWSA-N 2 0 291.273 -0.053 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1O[C@H](C(C)C)O[C@@H]1C[NH3+] ZINC001220481437 825046081 /nfs/dbraw/zinc/04/60/81/825046081.db2.gz HFNNUCLJZPFASD-UZWSLXQKSA-N 2 0 269.345 -0.822 20 30 CBEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220499200 825049780 /nfs/dbraw/zinc/04/97/80/825049780.db2.gz UHKGQBZHKAYCGA-VHSXEESVSA-N 2 0 270.333 -0.725 20 30 CBEDRP COC(=O)c1ccc(C(=N)NC(=O)[C@@H]([NH3+])CCC[NH3+])cc1 ZINC001220577620 825069711 /nfs/dbraw/zinc/06/97/11/825069711.db2.gz ZDOHDVORGABJJI-NSHDSACASA-N 2 0 292.339 -0.229 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220804301 825104008 /nfs/dbraw/zinc/10/40/08/825104008.db2.gz NTYDRZUNTCMNGP-XKSSXDPKSA-N 2 0 263.263 -0.006 20 30 CBEDRP C#CC[C@]1(C(=O)NC2=C(C(=O)OCC)C[NH2+]C2)CCC[NH2+]1 ZINC001220830511 825109100 /nfs/dbraw/zinc/10/91/00/825109100.db2.gz ZPJIDOMRHXQDBN-OAHLLOKOSA-N 2 0 291.351 -0.332 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]12C[NH2+]C[C@@H]1CCN2 ZINC001220868756 825116419 /nfs/dbraw/zinc/11/64/19/825116419.db2.gz RXCLEDMTXLZGDQ-KCQAQPDRSA-N 2 0 278.400 -0.296 20 30 CBEDRP C[C@@H](C#N)S(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238239079 825548829 /nfs/dbraw/zinc/54/88/29/825548829.db2.gz BMNMHFUPUWCABL-WDEREUQCSA-N 2 0 286.401 -0.308 20 30 CBEDRP C=CCOC(=O)[C@H](CCCC[NH3+])NS(=O)(=O)CC[NH3+] ZINC001238677524 825561967 /nfs/dbraw/zinc/56/19/67/825561967.db2.gz IZSLDLXTSQCVAY-JTQLQIEISA-N 2 0 293.389 -0.909 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245989719 825618304 /nfs/dbraw/zinc/61/83/04/825618304.db2.gz OCMKYMUXSGGBMY-AWEZNQCLSA-N 2 0 267.373 -0.977 20 30 CBEDRP C=CCOC(=O)[C@@H](N)CCCC[NH2+]C[C@]1(O)CC[NH2+]C1 ZINC001246000765 825619816 /nfs/dbraw/zinc/61/98/16/825619816.db2.gz MDVCAGSYJMGKLF-GXTWGEPZSA-N 2 0 285.388 -0.473 20 30 CBEDRP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028100 825626356 /nfs/dbraw/zinc/62/63/56/825626356.db2.gz ZYAJICSCFWORIS-STQMWFEESA-N 2 0 258.362 -0.274 20 30 CBEDRP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246044836 825629481 /nfs/dbraw/zinc/62/94/81/825629481.db2.gz HLUXPHLUKHLFRD-FXJUQPSGSA-N 2 0 256.346 -0.545 20 30 CBEDRP C#CCOC[C@H](O)C[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246052798 825630459 /nfs/dbraw/zinc/63/04/59/825630459.db2.gz ORRCGBOPBATEHD-HZSPNIEDSA-N 2 0 252.358 -0.072 20 30 CBEDRP CC[C@H](C)[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NO ZINC001246515649 825678947 /nfs/dbraw/zinc/67/89/47/825678947.db2.gz CYAVRWLCVCCNPP-DCAQKATOSA-N 2 0 270.377 -0.410 20 30 CBEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246554472 825684282 /nfs/dbraw/zinc/68/42/82/825684282.db2.gz VGIMOPJCDWQFMO-AVGNSLFASA-N 2 0 252.362 -0.194 20 30 CBEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCCC[C@](O)(C[NH3+])C2)CCN1 ZINC001246555036 825684295 /nfs/dbraw/zinc/68/42/95/825684295.db2.gz ARFGNMCIUOKEGP-AVGNSLFASA-N 2 0 252.362 -0.194 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC001251708186 825785798 /nfs/dbraw/zinc/78/57/98/825785798.db2.gz MMBAADMEOGNUSH-UHFFFAOYSA-N 2 0 296.415 -0.039 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC001263193130 826752812 /nfs/dbraw/zinc/75/28/12/826752812.db2.gz CCSGONGCLWEJRQ-IUCAKERBSA-N 2 0 263.263 -0.053 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265821355 826924429 /nfs/dbraw/zinc/92/44/29/826924429.db2.gz RTGGHOWXGHJDTM-GXTWGEPZSA-N 2 0 296.415 -0.584 20 30 CBEDRP C[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC(=O)NCC#N ZINC001265974351 826944840 /nfs/dbraw/zinc/94/48/40/826944840.db2.gz JRVHHLVFDSGQAE-UHFFFAOYSA-N 2 0 295.387 -0.840 20 30 CBEDRP COCC#CC[N@H+](C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001266265597 826967535 /nfs/dbraw/zinc/96/75/35/826967535.db2.gz JKUMFJYPYGJRNV-CYBMUJFWSA-N 2 0 283.372 -0.985 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001266970982 827100181 /nfs/dbraw/zinc/10/01/81/827100181.db2.gz ISXYPBNALFUNBW-RYUDHWBXSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001267422887 827168465 /nfs/dbraw/zinc/16/84/65/827168465.db2.gz RXEQJIFWPGRLOE-UHFFFAOYSA-N 2 0 296.415 -0.322 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001268322857 827300127 /nfs/dbraw/zinc/30/01/27/827300127.db2.gz FRGQGAVYOMNINO-CQSZACIVSA-N 2 0 281.400 -0.192 20 30 CBEDRP CC[C@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)[NH+](C)C ZINC001268330499 827305024 /nfs/dbraw/zinc/30/50/24/827305024.db2.gz KQTDFGJEPSNYIX-QWHCGFSZSA-N 2 0 285.388 -0.957 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001268336005 827308379 /nfs/dbraw/zinc/30/83/79/827308379.db2.gz QCOMZRQMXJEESF-KBPBESRZSA-N 2 0 297.399 -0.955 20 30 CBEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C12CC[NH+](CC1)C2 ZINC001268614849 827380960 /nfs/dbraw/zinc/38/09/60/827380960.db2.gz ZQYZUQJWCBVBAR-NSCUHMNNSA-N 2 0 291.395 -0.006 20 30 CBEDRP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001268625079 827383736 /nfs/dbraw/zinc/38/37/36/827383736.db2.gz KLFZXGZEKVUCLW-ONEGZZNKSA-N 2 0 292.383 -0.906 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001272444491 827798465 /nfs/dbraw/zinc/79/84/65/827798465.db2.gz USHOBRRYRRJDFH-OLZOCXBDSA-N 2 0 269.389 -0.337 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001272455743 827800502 /nfs/dbraw/zinc/80/05/02/827800502.db2.gz VNYMZGAYYYGFRK-VXGBXAGGSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CCN1C(=O)COCC12C[NH+](CC1CC[NH2+]CC1)C2 ZINC001273030884 827857609 /nfs/dbraw/zinc/85/76/09/827857609.db2.gz QNNNBHDOCARJJD-UHFFFAOYSA-N 2 0 277.368 -0.468 20 30 CBEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001273358913 827892832 /nfs/dbraw/zinc/89/28/32/827892832.db2.gz OHWBVFQMBYXUEE-CQSZACIVSA-N 2 0 279.384 -0.078 20 30 CBEDRP C=C[C@@H](O)C[N@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001273880316 827936208 /nfs/dbraw/zinc/93/62/08/827936208.db2.gz AHXWJBXNCIGPTF-HIFRSBDPSA-N 2 0 297.399 -0.602 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001273929444 827942838 /nfs/dbraw/zinc/94/28/38/827942838.db2.gz KMBZTXUJGTWPLO-GDBMZVCRSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC001274014456 827953437 /nfs/dbraw/zinc/95/34/37/827953437.db2.gz WAHSUHYRHDUFBP-UHFFFAOYSA-N 2 0 279.384 -0.030 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001274986216 828047530 /nfs/dbraw/zinc/04/75/30/828047530.db2.gz OLSQDTXSCVPICC-NEPJUHHUSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001275459082 828089027 /nfs/dbraw/zinc/08/90/27/828089027.db2.gz LOZCMMUTKQHQDS-LBPRGKRZSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278077558 828241837 /nfs/dbraw/zinc/24/18/37/828241837.db2.gz KZUVDEUGHDUMFU-STQMWFEESA-N 2 0 267.373 -0.441 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001278077557 828242396 /nfs/dbraw/zinc/24/23/96/828242396.db2.gz KZUVDEUGHDUMFU-QWHCGFSZSA-N 2 0 267.373 -0.441 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001278077556 828242871 /nfs/dbraw/zinc/24/28/71/828242871.db2.gz KZUVDEUGHDUMFU-OLZOCXBDSA-N 2 0 267.373 -0.441 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278829006 828293120 /nfs/dbraw/zinc/29/31/20/828293120.db2.gz SFWSJKYQQSNGHZ-CQSZACIVSA-N 2 0 267.373 -0.487 20 30 CBEDRP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001278874394 828305036 /nfs/dbraw/zinc/30/50/36/828305036.db2.gz YIOGHMSXQDIKSJ-CYBMUJFWSA-N 2 0 269.389 -0.288 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1CCC[NH2+]1)C2 ZINC001349808204 890894510 /nfs/dbraw/zinc/89/45/10/890894510.db2.gz MGEBANKFXMCSKQ-ATJQQHLPSA-N 2 0 262.357 -0.006 20 30 CBEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC001327131435 885269592 /nfs/dbraw/zinc/26/95/92/885269592.db2.gz RHDOEUFFDCWYBG-SRVKXCTJSA-N 2 0 268.361 -0.028 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001327580138 885412883 /nfs/dbraw/zinc/41/28/83/885412883.db2.gz GOHGBRVPUFDXNA-OAHLLOKOSA-N 2 0 281.400 -0.096 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331683435 886905812 /nfs/dbraw/zinc/90/58/12/886905812.db2.gz KFEWTOBUCSUDNF-VXGBXAGGSA-N 2 0 253.346 -0.829 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001331788581 886981563 /nfs/dbraw/zinc/98/15/63/886981563.db2.gz WOVXDAUWKRJGTP-KBPBESRZSA-N 2 0 297.399 -0.955 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H]([NH3+])C(C)(C)O)CC1 ZINC001341696696 889650848 /nfs/dbraw/zinc/65/08/48/889650848.db2.gz LNPDNJJRJWBZBI-LLVKDONJSA-N 2 0 255.362 -0.149 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217910893 884788276 /nfs/dbraw/zinc/78/82/76/884788276.db2.gz NNPWZUWUICBYJV-MOLYVOAJSA-N 2 0 251.330 -0.118 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278815890 884818452 /nfs/dbraw/zinc/81/84/52/884818452.db2.gz LCIIZLYOYORDGX-HNNXBMFYSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001278815892 884818640 /nfs/dbraw/zinc/81/86/40/884818640.db2.gz LCIIZLYOYORDGX-OAHLLOKOSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001326091046 884905642 /nfs/dbraw/zinc/90/56/42/884905642.db2.gz IORMLCMJZIQKHN-CYBMUJFWSA-N 2 0 267.373 -0.628 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001329098671 885927794 /nfs/dbraw/zinc/92/77/94/885927794.db2.gz BHMAYRJCGQRDJO-QWRGUYRKSA-N 2 0 254.334 -0.416 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001331683430 886905097 /nfs/dbraw/zinc/90/50/97/886905097.db2.gz KFEWTOBUCSUDNF-NEPJUHHUSA-N 2 0 253.346 -0.829 20 30 CBEDRP CC[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)[NH+](C)C ZINC001331824747 887000777 /nfs/dbraw/zinc/00/07/77/887000777.db2.gz KEELNZWCHQQICQ-STQMWFEESA-N 2 0 285.388 -0.957 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001332524035 887339639 /nfs/dbraw/zinc/33/96/39/887339639.db2.gz ZUJBKUUJYUHBIE-STQMWFEESA-N 2 0 269.389 -0.385 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCN1CC[NH+](CC)CC1 ZINC001336756361 888867695 /nfs/dbraw/zinc/86/76/95/888867695.db2.gz NUBUNUIEOAOKHM-UHFFFAOYSA-N 2 0 266.389 -0.647 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001336763373 888872698 /nfs/dbraw/zinc/87/26/98/888872698.db2.gz QHPHZNMDPNQTII-UHFFFAOYSA-N 2 0 280.416 -0.257 20 30 CBEDRP C#CC[NH2+]CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC001340222755 889412066 /nfs/dbraw/zinc/41/20/66/889412066.db2.gz PBTATEYWFNOULU-UHFFFAOYSA-N 2 0 253.346 -0.564 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC001340710846 889470781 /nfs/dbraw/zinc/47/07/81/889470781.db2.gz WKOHHRPWGQSKPJ-AWEZNQCLSA-N 2 0 279.384 -0.078 20 30 CBEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C[C@H]1[NH3+] ZINC001342649965 889809551 /nfs/dbraw/zinc/80/95/51/889809551.db2.gz WGSBEURLFSMECP-BCXZHAGTSA-N 2 0 262.357 -0.069 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]1 ZINC001342705141 889818997 /nfs/dbraw/zinc/81/89/97/889818997.db2.gz QYBALZDEHGMNSF-AWEZNQCLSA-N 2 0 266.389 -0.294 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001342724054 889821929 /nfs/dbraw/zinc/82/19/29/889821929.db2.gz SDHFTXIXEGAWNL-WCQYABFASA-N 2 0 255.362 -0.018 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001343376394 889895984 /nfs/dbraw/zinc/89/59/84/889895984.db2.gz ZRDKMQIWDZQKNP-ZDUSSCGKSA-N 2 0 280.372 -0.013 20 30 CBEDRP C#CC[NH2+]CC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC001343422899 889905961 /nfs/dbraw/zinc/90/59/61/889905961.db2.gz AQUQGMIRCXZHMX-NEPJUHHUSA-N 2 0 253.346 -0.565 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H](O)C[NH2+]C)CC1 ZINC001343425725 889907614 /nfs/dbraw/zinc/90/76/14/889907614.db2.gz VPJNBTJGFMGKIZ-AAEUAGOBSA-N 2 0 269.389 -0.031 20 30 CBEDRP C[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC001346089784 890214425 /nfs/dbraw/zinc/21/44/25/890214425.db2.gz XIFZVSDKWHTNCR-CHWSQXEVSA-N 2 0 281.404 -0.240 20 30 CBEDRP C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001348973487 890741818 /nfs/dbraw/zinc/74/18/18/890741818.db2.gz RRIYAMWLIURZCN-ZNMIVQPWSA-N 2 0 283.416 -0.225 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001349370670 890801753 /nfs/dbraw/zinc/80/17/53/890801753.db2.gz FJRPKMWYVCJOJA-NWDGAFQWSA-N 2 0 295.387 -0.679 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC001357417445 891889225 /nfs/dbraw/zinc/88/92/25/891889225.db2.gz JEXWPRCPYFZJEZ-VXGBXAGGSA-N 2 0 252.362 -0.151 20 30 CBEDRP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063600 921666988 /nfs/dbraw/zinc/66/69/88/921666988.db2.gz RUDJUMJSGOHKIL-NWDGAFQWSA-N 2 0 295.387 -0.843 20 30 CBEDRP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC(=O)NCC#N ZINC001507117537 921681311 /nfs/dbraw/zinc/68/13/11/921681311.db2.gz IBNMFOMUJYEDON-NSHDSACASA-N 2 0 283.376 -0.986 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001507200133 921735200 /nfs/dbraw/zinc/73/52/00/921735200.db2.gz DOMSBOVYIVBHSP-NWDGAFQWSA-N 2 0 255.362 -0.277 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001507227979 921761829 /nfs/dbraw/zinc/76/18/29/921761829.db2.gz IXZJXWPJGUIPES-ZDUSSCGKSA-N 2 0 297.399 -0.955 20 30 CBEDRP COCCC[N@H+](C)CCNC(=O)NCC#CC[NH+](C)C ZINC001469116378 915378732 /nfs/dbraw/zinc/37/87/32/915378732.db2.gz DMFLAAGWZLZMQN-UHFFFAOYSA-N 2 0 284.404 -0.181 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)CC1CC[NH+](C)CC1 ZINC001507240706 921777443 /nfs/dbraw/zinc/77/74/43/921777443.db2.gz GJUSQPYWNRSCFC-ZDUSSCGKSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001481281584 916802322 /nfs/dbraw/zinc/80/23/22/916802322.db2.gz UGCBYHCXCYZBDS-NSHDSACASA-N 2 0 283.376 -0.986 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001481840624 917003966 /nfs/dbraw/zinc/00/39/66/917003966.db2.gz LIKVBXZBKINZMD-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481876998 917013519 /nfs/dbraw/zinc/01/35/19/917013519.db2.gz YQNSOMTYVCCGDJ-NWDGAFQWSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482267120 917108571 /nfs/dbraw/zinc/10/85/71/917108571.db2.gz RFQAEANERNHNMA-CHWSQXEVSA-N 2 0 294.399 -0.734 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001483162247 917443806 /nfs/dbraw/zinc/44/38/06/917443806.db2.gz AZMNJHXMDXENDG-LLVKDONJSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CC(=O)NC)CC1 ZINC001483197769 917461225 /nfs/dbraw/zinc/46/12/25/917461225.db2.gz FTZFLPZHTAEVTL-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCO)CC1 ZINC001483198288 917461620 /nfs/dbraw/zinc/46/16/20/917461620.db2.gz PDCKQZVRXSIAHW-CYBMUJFWSA-N 2 0 281.400 -0.192 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001483456196 917567360 /nfs/dbraw/zinc/56/73/60/917567360.db2.gz PIVPMFHNAGHRLN-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484217297 917766278 /nfs/dbraw/zinc/76/62/78/917766278.db2.gz RGVYOEBNTUSJCN-ZBFHGGJFSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCO)CC1 ZINC001485960637 918238753 /nfs/dbraw/zinc/23/87/53/918238753.db2.gz JMQJJIOLSDNGOF-CYBMUJFWSA-N 2 0 281.400 -0.240 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001486004622 918300013 /nfs/dbraw/zinc/30/00/13/918300013.db2.gz OIWASCUJUXTHEU-LLVKDONJSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486296280 918414906 /nfs/dbraw/zinc/41/49/06/918414906.db2.gz OZKDZWCYIPFDSJ-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001486354382 918451352 /nfs/dbraw/zinc/45/13/52/918451352.db2.gz AWMFBZZYWDKESM-CQSZACIVSA-N 2 0 293.411 -0.143 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001491992139 919307609 /nfs/dbraw/zinc/30/76/09/919307609.db2.gz KSRPRJTWYNQMHI-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493601400 919590021 /nfs/dbraw/zinc/59/00/21/919590021.db2.gz ZSUKUDLOCQEHJI-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496152253 920036552 /nfs/dbraw/zinc/03/65/52/920036552.db2.gz ZGAGUHVXROHKBX-GFCCVEGCSA-N 2 0 282.388 -0.876 20 30 CBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001497091810 920246679 /nfs/dbraw/zinc/24/66/79/920246679.db2.gz LJFKDOYHTYABAD-NEPJUHHUSA-N 2 0 257.378 -0.031 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001497091636 920247070 /nfs/dbraw/zinc/24/70/70/920247070.db2.gz JGZQYLQBBGEHBE-NEPJUHHUSA-N 2 0 255.362 -0.583 20 30 CBEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497115079 920251997 /nfs/dbraw/zinc/25/19/97/920251997.db2.gz SWNCHEAIYPYPOK-VXGBXAGGSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497113679 920253632 /nfs/dbraw/zinc/25/36/32/920253632.db2.gz LLEGNLZUWJIAMG-RYUDHWBXSA-N 2 0 253.346 -0.972 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001497909705 920422135 /nfs/dbraw/zinc/42/21/35/920422135.db2.gz BIUXZZADRMDIIY-VXGBXAGGSA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001498197479 920516388 /nfs/dbraw/zinc/51/63/88/920516388.db2.gz MZKTXYFUPWPRBX-STQMWFEESA-N 2 0 296.415 -0.441 20 30 CBEDRP C=CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001500722063 920868984 /nfs/dbraw/zinc/86/89/84/920868984.db2.gz LISIFVZEPJEGCM-CYBMUJFWSA-N 2 0 255.362 -0.323 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001507502327 921859882 /nfs/dbraw/zinc/85/98/82/921859882.db2.gz ILKOYRRVEWRPNQ-ZDUSSCGKSA-N 2 0 269.389 -0.077 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001507569775 921868992 /nfs/dbraw/zinc/86/89/92/921868992.db2.gz WVAMVHKRBZYWOU-LBPRGKRZSA-N 2 0 255.362 -0.631 20 30 CBEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001507598058 921876894 /nfs/dbraw/zinc/87/68/94/921876894.db2.gz DBQNQIPPAXINEZ-KBPBESRZSA-N 2 0 281.400 -0.145 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC001521503173 922361075 /nfs/dbraw/zinc/36/10/75/922361075.db2.gz DNWYXHYHGFZOOX-UHFFFAOYSA-N 2 0 266.389 -0.647 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC001522342083 922407430 /nfs/dbraw/zinc/40/74/30/922407430.db2.gz IOBNBIXOOLQJHN-UHFFFAOYSA-N 2 0 278.400 -0.552 20 30 CBEDRP C=C(C)COCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000583921329 355024203 /nfs/dbraw/zinc/02/42/03/355024203.db2.gz OECIPWJVABGLBO-LBPRGKRZSA-N 2 0 270.377 -0.137 20 30 CBEDRP C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600726600 355563305 /nfs/dbraw/zinc/56/33/05/355563305.db2.gz IBVVKDGJOSAQDP-LLVKDONJSA-N 2 0 286.376 -0.446 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(CC)CC[NH3+])CC1 ZINC000627385974 356636508 /nfs/dbraw/zinc/63/65/08/356636508.db2.gz BFFVDGXLMOJXKW-UHFFFAOYSA-N 2 0 282.388 -0.440 20 30 CBEDRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=[NH2+])N2CCOCC2)C1 ZINC000262292898 220249539 /nfs/dbraw/zinc/24/95/39/220249539.db2.gz NBTDURXJBDVFMK-ZDUSSCGKSA-N 2 0 284.404 -0.010 20 30 CBEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCSCC1 ZINC000262754609 220255920 /nfs/dbraw/zinc/25/59/20/220255920.db2.gz CWHYYXZLQNCIKE-NSHDSACASA-N 2 0 269.418 -0.650 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCN2CC[N@H+](C)C(C)(C)C2)N1 ZINC000262688753 220256071 /nfs/dbraw/zinc/25/60/71/220256071.db2.gz ZOLXSVFCDSQSCP-LLVKDONJSA-N 2 0 253.394 -0.050 20 30 CBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(O)CC1 ZINC000262819389 220258032 /nfs/dbraw/zinc/25/80/32/220258032.db2.gz XTGQOGSNGGGRKL-ZDUSSCGKSA-N 2 0 295.431 -0.592 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000285062271 220295173 /nfs/dbraw/zinc/29/51/73/220295173.db2.gz MADOBGRGBVMDSG-LLVKDONJSA-N 2 0 290.375 -0.462 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000285062275 220295880 /nfs/dbraw/zinc/29/58/80/220295880.db2.gz MADOBGRGBVMDSG-NSHDSACASA-N 2 0 290.375 -0.462 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303985268 220324813 /nfs/dbraw/zinc/32/48/13/220324813.db2.gz SUPXAANYJWBUDC-STQMWFEESA-N 2 0 283.420 -0.294 20 30 CBEDRP C=C[C@H](CO)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000662167875 419553961 /nfs/dbraw/zinc/55/39/61/419553961.db2.gz QCNWRVQSWUHWOW-ZIAGYGMSSA-N 2 0 299.415 -0.404 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000647995506 419707777 /nfs/dbraw/zinc/70/77/77/419707777.db2.gz DPGFBSVXXSOZNE-KBPBESRZSA-N 2 0 296.415 -0.047 20 30 CBEDRP CC[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)NC1CC1 ZINC000262777409 276095788 /nfs/dbraw/zinc/09/57/88/276095788.db2.gz NWYUWCAXMVOSNS-LBPRGKRZSA-N 2 0 251.378 -0.296 20 30 CBEDRP [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178986923 295005767 /nfs/dbraw/zinc/00/57/67/295005767.db2.gz HKPBYMOLUJCIAC-NWDGAFQWSA-N 2 0 267.377 -0.931 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCC(=O)NCC[NH+]2CCCCCC2)N1 ZINC000262643830 297088526 /nfs/dbraw/zinc/08/85/26/297088526.db2.gz MFRBEIJMDQICOZ-GFCCVEGCSA-N 2 0 281.404 -0.084 20 30 CBEDRP CCOCCCNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000170913294 329072446 /nfs/dbraw/zinc/07/24/46/329072446.db2.gz NMJKENZODZVRIG-NSHDSACASA-N 2 0 258.366 -0.352 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](O)C(C)(C)C2)CC1 ZINC000490741283 332111484 /nfs/dbraw/zinc/11/14/84/332111484.db2.gz TXAKNJDBFVCINE-CQSZACIVSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000491266140 332177236 /nfs/dbraw/zinc/17/72/36/332177236.db2.gz NWVKFLDYYGZDDN-GFCCVEGCSA-N 2 0 252.362 -0.055 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000491806036 332359269 /nfs/dbraw/zinc/35/92/69/332359269.db2.gz QATCTUGGDWEKRJ-LBPRGKRZSA-N 2 0 268.361 -0.771 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000491815279 332366519 /nfs/dbraw/zinc/36/65/19/332366519.db2.gz PDXPQUJBJDKJSL-CQSZACIVSA-N 2 0 280.416 -0.401 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014883 333079101 /nfs/dbraw/zinc/07/91/01/333079101.db2.gz LBLRQHUAURWTFN-NSHDSACASA-N 2 0 283.376 -0.174 20 30 CBEDRP C[NH+]=C(NCCC[NH+](C)C)NCCN1CCOCC1 ZINC000104152837 582113146 /nfs/dbraw/zinc/11/31/46/582113146.db2.gz KEBCNJSVIVJUAU-UHFFFAOYSA-N 2 0 271.409 -0.565 20 30 CBEDRP COC(=O)CCC[NH+]1CCC(N=NC(N)=[NH2+])CC1 ZINC000727057793 582139926 /nfs/dbraw/zinc/13/99/26/582139926.db2.gz ILEWWVITJPMMOZ-UHFFFAOYSA-N 2 0 255.322 -0.126 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H](CCO)C2)CC1 ZINC000748816523 582288700 /nfs/dbraw/zinc/28/87/00/582288700.db2.gz DQZGLUQULGDSOK-HNNXBMFYSA-N 2 0 293.411 -0.142 20 30 CBEDRP OC[C@H]([NH2+]CC#CC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000792878345 582396424 /nfs/dbraw/zinc/39/64/24/582396424.db2.gz VOADPKRTDAUFMJ-OKILXGFUSA-N 2 0 252.358 -0.289 20 30 CBEDRP C#CCCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819156384 582528304 /nfs/dbraw/zinc/52/83/04/582528304.db2.gz IOAPUNOHWHYTIU-AWEZNQCLSA-N 2 0 253.390 -0.012 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000834485449 583124874 /nfs/dbraw/zinc/12/48/74/583124874.db2.gz XDAOZSUVNMRYFZ-AGIUHOORSA-N 2 0 258.325 -0.043 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000834495177 583126466 /nfs/dbraw/zinc/12/64/66/583126466.db2.gz STJMKPGVZFBVOP-RAIGVLPGSA-N 2 0 288.355 -0.351 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000834495179 583126577 /nfs/dbraw/zinc/12/65/77/583126577.db2.gz STJMKPGVZFBVOP-RTXFEEFZSA-N 2 0 288.355 -0.351 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000841849853 583175214 /nfs/dbraw/zinc/17/52/14/583175214.db2.gz MTYIAHDPEZQISZ-RDBSUJKOSA-N 2 0 270.336 -0.071 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000841909789 583176441 /nfs/dbraw/zinc/17/64/41/583176441.db2.gz HUOXVUSHCGTTBL-QWHCGFSZSA-N 2 0 282.388 -0.301 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458854 583221676 /nfs/dbraw/zinc/22/16/76/583221676.db2.gz AKEHLSFQFRZMAQ-STQMWFEESA-N 2 0 270.336 -0.290 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000843460235 583221681 /nfs/dbraw/zinc/22/16/81/583221681.db2.gz ZNORFALJRPQDDH-YNEHKIRRSA-N 2 0 258.325 -0.216 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846166595 583354614 /nfs/dbraw/zinc/35/46/14/583354614.db2.gz ALNRACCLIGZSSK-ZIAGYGMSSA-N 2 0 296.415 -0.053 20 30 CBEDRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000846313239 583358720 /nfs/dbraw/zinc/35/87/20/583358720.db2.gz LAFGJJDIWABZJK-ZYHUDNBSSA-N 2 0 291.359 -0.322 20 30 CBEDRP C[C@H]1C[NH+]=C(NCCCC[NH+]2CCC(C(N)=O)CC2)N1 ZINC000848989767 583464488 /nfs/dbraw/zinc/46/44/88/583464488.db2.gz ACUXYMRPXXEQIR-NSHDSACASA-N 2 0 281.404 -0.099 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCC(C(N)=O)CC2)N1 ZINC000848989766 583464531 /nfs/dbraw/zinc/46/45/31/583464531.db2.gz ACUXYMRPXXEQIR-LLVKDONJSA-N 2 0 281.404 -0.099 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCCC[NH+]2CCN(C)CC2)N1 ZINC000848989520 583464577 /nfs/dbraw/zinc/46/45/77/583464577.db2.gz WJGZXVLMLVCQPE-GFCCVEGCSA-N 2 0 253.394 -0.049 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)NCC#N ZINC000849028015 583469607 /nfs/dbraw/zinc/46/96/07/583469607.db2.gz WWTKQBGWOOSJCA-SNVBAGLBSA-N 2 0 266.349 -0.776 20 30 CBEDRP CNC(NCC1(N2CCOCC2)CC[NH+](C)CC1)=[NH+]C ZINC000849041845 583471527 /nfs/dbraw/zinc/47/15/27/583471527.db2.gz XJLUPTBCOPLTGF-UHFFFAOYSA-N 2 0 283.420 -0.422 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000849048160 583472033 /nfs/dbraw/zinc/47/20/33/583472033.db2.gz FEKNVFIIBDKNPO-OKILXGFUSA-N 2 0 297.447 -0.176 20 30 CBEDRP C#CCNC(=O)CN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761119 583552204 /nfs/dbraw/zinc/55/22/04/583552204.db2.gz QUAZFDXHOHIUCF-ZDUSSCGKSA-N 2 0 267.373 -0.222 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000852881455 583567030 /nfs/dbraw/zinc/56/70/30/583567030.db2.gz WTJVXFYTGOUHFA-HNNXBMFYSA-N 2 0 290.411 -0.505 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1C[NH2+]CCO1 ZINC000852889449 583569415 /nfs/dbraw/zinc/56/94/15/583569415.db2.gz DEKQQTMISZXKBE-LBPRGKRZSA-N 2 0 251.330 -0.906 20 30 CBEDRP CCO[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000852896366 583571191 /nfs/dbraw/zinc/57/11/91/583571191.db2.gz YZRGJXHNMOSSGJ-ZIAGYGMSSA-N 2 0 279.384 -0.188 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC(C[NH+]2CCN(C)CC2)C1 ZINC000854644869 583614190 /nfs/dbraw/zinc/61/41/90/583614190.db2.gz VAHAHAOAXFMHFB-UHFFFAOYSA-N 2 0 280.416 -0.190 20 30 CBEDRP C#CC[C@@H](COC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000863588524 583847858 /nfs/dbraw/zinc/84/78/58/583847858.db2.gz BGQYXTPTUDODAS-UONOGXRCSA-N 2 0 269.389 -0.777 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000876542477 584132785 /nfs/dbraw/zinc/13/27/85/584132785.db2.gz PIXFYENRXOWWFC-ZJUUUORDSA-N 2 0 260.769 -0.442 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(COC)C[NH2+]CCO2)CC1 ZINC000876755251 584142941 /nfs/dbraw/zinc/14/29/41/584142941.db2.gz IJAQNADPJGBOBI-OAHLLOKOSA-N 2 0 297.399 -0.242 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000876783386 584144632 /nfs/dbraw/zinc/14/46/32/584144632.db2.gz AKHBYTIHACLSID-MNOVXSKESA-N 2 0 274.796 -0.182 20 30 CBEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[N@@H+]1C ZINC000876802126 584146274 /nfs/dbraw/zinc/14/62/74/584146274.db2.gz LTVLUQKQPSGURS-WRWGMCAJSA-N 2 0 250.346 -0.056 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000876850851 584149746 /nfs/dbraw/zinc/14/97/46/584149746.db2.gz CXUHANMACWMALD-NWDGAFQWSA-N 2 0 286.807 -0.038 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1COCC[NH2+]1 ZINC000877040114 584163701 /nfs/dbraw/zinc/16/37/01/584163701.db2.gz UPFYIMXYFYYXAP-GFCCVEGCSA-N 2 0 251.330 -0.906 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1COCC[NH2+]1 ZINC000877040120 584163751 /nfs/dbraw/zinc/16/37/51/584163751.db2.gz UPFYIMXYFYYXAP-LBPRGKRZSA-N 2 0 251.330 -0.906 20 30 CBEDRP C[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884019298 584355898 /nfs/dbraw/zinc/35/58/98/584355898.db2.gz PUAQRUVJGIZICW-KTEZZQQRSA-N 2 0 262.357 -0.054 20 30 CBEDRP C[C@@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884019297 584355943 /nfs/dbraw/zinc/35/59/43/584355943.db2.gz PUAQRUVJGIZICW-JJMZSNKZSA-N 2 0 262.357 -0.054 20 30 CBEDRP C[C@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[NH2+]1 ZINC000884032406 584356595 /nfs/dbraw/zinc/35/65/95/584356595.db2.gz QJYQJJTVBWYDLV-ATWGWHJKSA-N 2 0 262.357 -0.054 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000884642488 584392554 /nfs/dbraw/zinc/39/25/54/584392554.db2.gz KLKMVXQASVQXNT-RYUDHWBXSA-N 2 0 294.399 -0.299 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000884642487 584392560 /nfs/dbraw/zinc/39/25/60/584392560.db2.gz KLKMVXQASVQXNT-NWDGAFQWSA-N 2 0 294.399 -0.299 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC)C[C@@H]2O)CC1 ZINC000958724355 613130239 /nfs/dbraw/zinc/13/02/39/613130239.db2.gz NXIHNPQUCWLJCJ-CABCVRRESA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000958219793 613295796 /nfs/dbraw/zinc/29/57/96/613295796.db2.gz NWJVHSCVSJVFGE-ZFWWWQNUSA-N 2 0 298.346 -0.010 20 30 CBEDRP C#CCN1CCC[C@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000923572939 658334926 /nfs/dbraw/zinc/33/49/26/658334926.db2.gz HUFIVXXFICOLJY-KBPBESRZSA-N 2 0 279.384 -0.079 20 30 CBEDRP C[NH+]=C(NCC[NH2+]C(C)(C)C)NCCN1CCOCC1 ZINC000178206799 656088323 /nfs/dbraw/zinc/08/83/23/656088323.db2.gz QGYNNHRBTYLNJD-UHFFFAOYSA-N 2 0 285.436 -0.128 20 30 CBEDRP CCN(C)C(=O)CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000187051755 656096422 /nfs/dbraw/zinc/09/64/22/656096422.db2.gz KWCHNBTVDXSZNB-LLVKDONJSA-N 2 0 269.393 -0.147 20 30 CBEDRP C[NH+]=C(NC[C@@H](C)N1CC[NH+](C)CC1)NC1CC1 ZINC000303412324 656139410 /nfs/dbraw/zinc/13/94/10/656139410.db2.gz XYQWQXFITUSMKA-LLVKDONJSA-N 2 0 253.394 -0.050 20 30 CBEDRP C[N@@H+]1CCCN(CCCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303991098 656140139 /nfs/dbraw/zinc/14/01/39/656140139.db2.gz ZFPXPVASIIDIJI-UHFFFAOYSA-N 2 0 283.420 -0.339 20 30 CBEDRP [NH2+]=C(NCCCC[NH+]1CCOCC1)N1CCOCC1 ZINC000303903419 656140196 /nfs/dbraw/zinc/14/01/96/656140196.db2.gz UKUWUSYWZHPTHW-UHFFFAOYSA-N 2 0 270.377 -0.254 20 30 CBEDRP COCCNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CCOC ZINC000303977531 656140216 /nfs/dbraw/zinc/14/02/16/656140216.db2.gz LHQIPNOPWXMCNT-LLVKDONJSA-N 2 0 258.366 -0.352 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCN(C)CCOC ZINC000303979898 656140335 /nfs/dbraw/zinc/14/03/35/656140335.db2.gz NPAZDRWKORFBOB-ZDUSSCGKSA-N 2 0 285.436 -0.047 20 30 CBEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N1CCOCC1 ZINC000304836255 656140714 /nfs/dbraw/zinc/14/07/14/656140714.db2.gz NQNGWYKWOXLHIS-LBPRGKRZSA-N 2 0 272.393 -0.010 20 30 CBEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N1CCOCC1 ZINC000304836254 656140934 /nfs/dbraw/zinc/14/09/34/656140934.db2.gz NQNGWYKWOXLHIS-GFCCVEGCSA-N 2 0 272.393 -0.010 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CC2)CC1 ZINC000911235874 656993039 /nfs/dbraw/zinc/99/30/39/656993039.db2.gz JWJAJFSZOMZFSR-UHFFFAOYSA-N 2 0 294.399 -0.249 20 30 CBEDRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC#CC[NH+](C)C ZINC000913520096 657486680 /nfs/dbraw/zinc/48/66/80/657486680.db2.gz CEAFLKTVJAFENO-CYBMUJFWSA-N 2 0 267.373 -0.364 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000913524020 657493451 /nfs/dbraw/zinc/49/34/51/657493451.db2.gz WQRVJJVDPZIZEN-OLZOCXBDSA-N 2 0 265.357 -0.469 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001016330777 657689556 /nfs/dbraw/zinc/68/95/56/657689556.db2.gz VHGGHTCYULQWRV-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168724 657868094 /nfs/dbraw/zinc/86/80/94/657868094.db2.gz SLGOZLOFYSYMEN-IOSBVQAASA-N 2 0 289.379 -0.327 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503975 658311947 /nfs/dbraw/zinc/31/19/47/658311947.db2.gz NDKQBWGWIFCEQD-MNOVXSKESA-N 2 0 268.361 -0.085 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503978 658312057 /nfs/dbraw/zinc/31/20/57/658312057.db2.gz NDKQBWGWIFCEQD-WDEREUQCSA-N 2 0 268.361 -0.085 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCO)C[C@@H]2C)CC1 ZINC000989829350 659617084 /nfs/dbraw/zinc/61/70/84/659617084.db2.gz RTSVPQJPOHDFIC-ZFWWWQNUSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900125 814924524 /nfs/dbraw/zinc/92/45/24/814924524.db2.gz HZVPPUNUYJRHGJ-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078174134 805848553 /nfs/dbraw/zinc/84/85/53/805848553.db2.gz CFNYNXCVDNUCKS-JHJVBQTASA-N 2 0 265.357 -0.877 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)[C@@H](O)C1 ZINC001083475017 806337976 /nfs/dbraw/zinc/33/79/76/806337976.db2.gz MGZPNITUBODXRW-YJNKXOJESA-N 2 0 293.411 -0.099 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953971 806466806 /nfs/dbraw/zinc/46/68/06/806466806.db2.gz FRQPJSYYPNDIIH-MJBXVCDLSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959573 806470951 /nfs/dbraw/zinc/47/09/51/806470951.db2.gz ZBZDYYHEHKEGJW-OLZOCXBDSA-N 2 0 277.368 -0.733 20 30 CBEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053540 806480379 /nfs/dbraw/zinc/48/03/79/806480379.db2.gz BDJJFTIIYPIQJA-UPJWGTAASA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001047529048 801895737 /nfs/dbraw/zinc/89/57/37/801895737.db2.gz OAHWIPMQWKNJKM-KBPBESRZSA-N 2 0 293.411 -0.145 20 30 CBEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047528000 801895934 /nfs/dbraw/zinc/89/59/34/801895934.db2.gz LFCPUBGFOCSQRS-RDBSUJKOSA-N 2 0 279.384 -0.393 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001047628471 801912991 /nfs/dbraw/zinc/91/29/91/801912991.db2.gz GJXHDEWPSKJKDT-RDBSUJKOSA-N 2 0 279.384 -0.535 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]C[C@H](C)O)CC1 ZINC001322088800 803857249 /nfs/dbraw/zinc/85/72/49/803857249.db2.gz OOJGJDZIAOYGDK-STQMWFEESA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322080480 803857970 /nfs/dbraw/zinc/85/79/70/803857970.db2.gz UJVWEOMSCKZOSX-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CC[N@@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587098 815036746 /nfs/dbraw/zinc/03/67/46/815036746.db2.gz DOZSMFLUNYFRBV-CQSZACIVSA-N 2 0 299.415 -0.042 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151049233 815053480 /nfs/dbraw/zinc/05/34/80/815053480.db2.gz KONODELYFSNZIZ-LBPRGKRZSA-N 2 0 253.346 -0.706 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001151058175 815054235 /nfs/dbraw/zinc/05/42/35/815054235.db2.gz XCWGPOYEFPYOCV-CHWSQXEVSA-N 2 0 294.399 -0.569 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001151157037 815064852 /nfs/dbraw/zinc/06/48/52/815064852.db2.gz JJAGGFFJRVGXCJ-ZDUSSCGKSA-N 2 0 267.373 -0.316 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001152445222 815123265 /nfs/dbraw/zinc/12/32/65/815123265.db2.gz DUSMEPKSBDSHFZ-CYBMUJFWSA-N 2 0 296.415 -0.131 20 30 CBEDRP C=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086332138 810261652 /nfs/dbraw/zinc/26/16/52/810261652.db2.gz UKUKMBCKGNGJQQ-JHJVBQTASA-N 2 0 267.373 -0.013 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCO)[C@@H]2C)CC1 ZINC001089059996 810376508 /nfs/dbraw/zinc/37/65/08/810376508.db2.gz MQELXCHVFVRPFX-HIFRSBDPSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090729999 810558845 /nfs/dbraw/zinc/55/88/45/810558845.db2.gz DIABUFUEWUCCPV-UONOGXRCSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731625 810559975 /nfs/dbraw/zinc/55/99/75/810559975.db2.gz UBPCEWANPHWWIP-UONOGXRCSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098466576 810846459 /nfs/dbraw/zinc/84/64/59/810846459.db2.gz MDTCJGZSNVBUSI-UHFFFAOYSA-N 2 0 281.400 -0.143 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971301 810979426 /nfs/dbraw/zinc/97/94/26/810979426.db2.gz FIBWXJIPUZNQAW-UONOGXRCSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972545 810981705 /nfs/dbraw/zinc/98/17/05/810981705.db2.gz YKEYADAHEZLZNT-UONOGXRCSA-N 2 0 293.411 -0.097 20 30 CBEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986289 810983448 /nfs/dbraw/zinc/98/34/48/810983448.db2.gz IROHSXLUILOTCN-NWDGAFQWSA-N 2 0 255.362 -0.325 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099989515 810986418 /nfs/dbraw/zinc/98/64/18/810986418.db2.gz RRYHLOWBMFBILB-QWHCGFSZSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=C(C)C[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073761 811013848 /nfs/dbraw/zinc/01/38/48/811013848.db2.gz GQMUDJSQADQOHW-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001100637473 811068846 /nfs/dbraw/zinc/06/88/46/811068846.db2.gz SSMKFTYUZVUUID-UHFFFAOYSA-N 2 0 294.399 -0.828 20 30 CBEDRP CC(C)C[C@H](NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)NO ZINC001157303721 815421487 /nfs/dbraw/zinc/42/14/87/815421487.db2.gz LOPJXBUUAKWQHP-IUCAKERBSA-N 2 0 260.338 -0.911 20 30 CBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320199349 817288660 /nfs/dbraw/zinc/28/86/60/817288660.db2.gz BGUPXOGBCPEJAY-VXGBXAGGSA-N 2 0 255.362 -0.277 20 30 CBEDRP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N1CCNC[C@@H]1C#N ZINC001157981299 815493486 /nfs/dbraw/zinc/49/34/86/815493486.db2.gz ALODMSWAEDBULY-STQMWFEESA-N 2 0 281.404 -0.194 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCNC[C@H]1C#N ZINC001157982301 815494595 /nfs/dbraw/zinc/49/45/95/815494595.db2.gz LOODMYLJDCGCKK-MNOVXSKESA-N 2 0 253.350 -0.973 20 30 CBEDRP N#C[C@H]1CNCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001157982278 815494395 /nfs/dbraw/zinc/49/43/95/815494395.db2.gz KYIXSSTVKLBAFQ-QWRGUYRKSA-N 2 0 253.350 -0.843 20 30 CBEDRP N#Cc1c2c(cnc1-n1nnnc1C[NH3+])C[NH2+]CCC2 ZINC001158074945 815501756 /nfs/dbraw/zinc/50/17/56/815501756.db2.gz TUOUJCZTHGFGLG-UHFFFAOYSA-N 2 0 270.300 -0.577 20 30 CBEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001120479888 812972383 /nfs/dbraw/zinc/97/23/83/812972383.db2.gz CWLIXDFURHFJJI-HNNXBMFYSA-N 2 0 297.447 -0.580 20 30 CBEDRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC001120573344 812994384 /nfs/dbraw/zinc/99/43/84/812994384.db2.gz CPBNLNJFVCVSMH-LSDHHAIUSA-N 2 0 297.447 -0.582 20 30 CBEDRP CSCC[C@H]([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC001122011218 813104304 /nfs/dbraw/zinc/10/43/04/813104304.db2.gz KWLABKHVCOJLQR-GUBZILKMSA-N 2 0 256.375 -0.315 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCNCC[NH2+]CC1 ZINC001122288093 813141140 /nfs/dbraw/zinc/14/11/40/813141140.db2.gz NCTLQZCBCSZKDP-UHFFFAOYSA-N 2 0 264.373 -0.989 20 30 CBEDRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001122311473 813144017 /nfs/dbraw/zinc/14/40/17/813144017.db2.gz BDBMQZCCVRSUIR-RYUDHWBXSA-N 2 0 268.361 -0.156 20 30 CBEDRP COCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001122311474 813144826 /nfs/dbraw/zinc/14/48/26/813144826.db2.gz BDBMQZCCVRSUIR-VXGBXAGGSA-N 2 0 268.361 -0.156 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001159854902 815600180 /nfs/dbraw/zinc/60/01/80/815600180.db2.gz WMPCQOIEIGXMIP-UHFFFAOYSA-N 2 0 294.399 -0.684 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001124877597 813493630 /nfs/dbraw/zinc/49/36/30/813493630.db2.gz HCDNBGPLXXXLQL-CHWSQXEVSA-N 2 0 294.399 -0.427 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127780537 813748660 /nfs/dbraw/zinc/74/86/60/813748660.db2.gz ZQAHHKLUYRJMCV-ZIAGYGMSSA-N 2 0 295.383 -0.795 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127779276 813748714 /nfs/dbraw/zinc/74/87/14/813748714.db2.gz KPIJFPKLONUYFB-NEPJUHHUSA-N 2 0 251.330 -0.811 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785965 813749571 /nfs/dbraw/zinc/74/95/71/813749571.db2.gz SACAQAOXOHERHK-KGLIPLIRSA-N 2 0 297.399 -0.242 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129364353 813840352 /nfs/dbraw/zinc/84/03/52/813840352.db2.gz SZHPSIMHBWTNJB-GFCCVEGCSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129450206 813844625 /nfs/dbraw/zinc/84/46/25/813844625.db2.gz XRQNHUWIGNMYKZ-WCQYABFASA-N 2 0 296.415 -0.277 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129450207 813846349 /nfs/dbraw/zinc/84/63/49/813846349.db2.gz XRQNHUWIGNMYKZ-YPMHNXCESA-N 2 0 296.415 -0.277 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129842313 813870886 /nfs/dbraw/zinc/87/08/86/813870886.db2.gz WDLQYYUSCYHUMP-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130303554 813924119 /nfs/dbraw/zinc/92/41/19/813924119.db2.gz DCOFVLAMFGGJIT-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001130298217 813925565 /nfs/dbraw/zinc/92/55/65/813925565.db2.gz YLSGBGHMWCLVSP-CYBMUJFWSA-N 2 0 267.373 -0.174 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131522248 814037416 /nfs/dbraw/zinc/03/74/16/814037416.db2.gz YTWBQRRQPJDPSB-JVWICGRDSA-N 2 0 277.368 -0.421 20 30 CBEDRP CC(C)(C(=O)NCC[NH2+]CC(=O)NCC#N)[NH+]1CCCC1 ZINC001132280901 814120677 /nfs/dbraw/zinc/12/06/77/814120677.db2.gz XEHNOSWNTOOKLX-UHFFFAOYSA-N 2 0 295.387 -0.794 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001132995304 814206007 /nfs/dbraw/zinc/20/60/07/814206007.db2.gz QXAXOBMIMJDFIG-LBPRGKRZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040202 814211569 /nfs/dbraw/zinc/21/15/69/814211569.db2.gz FUSLFJZDJHDIPE-UHFFFAOYSA-N 2 0 270.377 -0.664 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133434367 814253677 /nfs/dbraw/zinc/25/36/77/814253677.db2.gz OFOGRVDYABZIBH-CHWSQXEVSA-N 2 0 298.431 -0.031 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133820061 814299960 /nfs/dbraw/zinc/29/99/60/814299960.db2.gz XBEBHOBTBMFFKH-CYBMUJFWSA-N 2 0 267.373 -0.174 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133831015 814303524 /nfs/dbraw/zinc/30/35/24/814303524.db2.gz GNMDZTIAAYGWOV-LBPRGKRZSA-N 2 0 282.388 -0.521 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001133849619 814308464 /nfs/dbraw/zinc/30/84/64/814308464.db2.gz AQCSTRJQVWHVEF-QWHCGFSZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133854066 814311365 /nfs/dbraw/zinc/31/13/65/814311365.db2.gz WLAQLVFJPHCMOJ-LBPRGKRZSA-N 2 0 282.388 -0.664 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133868109 814313727 /nfs/dbraw/zinc/31/37/27/814313727.db2.gz ZEZQXTRTOIUXNU-RYUDHWBXSA-N 2 0 282.388 -0.808 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133873082 814316492 /nfs/dbraw/zinc/31/64/92/814316492.db2.gz MVMGXTXBTWXOLP-UHFFFAOYSA-N 2 0 296.415 -0.274 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](CC)[NH+](C)C ZINC001133967797 814331770 /nfs/dbraw/zinc/33/17/70/814331770.db2.gz DHOJTZDXSDQTPX-RYUDHWBXSA-N 2 0 284.404 -0.277 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC1CC[NH+](C)CC1 ZINC001134776008 814412322 /nfs/dbraw/zinc/41/23/22/814412322.db2.gz HUAONDHTDJKTKT-UHFFFAOYSA-N 2 0 296.415 -0.274 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[NH+](CC)CC)C1=O ZINC001135510653 814478784 /nfs/dbraw/zinc/47/87/84/814478784.db2.gz DQCWSDKDUDQNRJ-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513460 814481646 /nfs/dbraw/zinc/48/16/46/814481646.db2.gz PBAXLKKJKHLXMN-LBPRGKRZSA-N 2 0 284.404 -0.275 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135963576 814541654 /nfs/dbraw/zinc/54/16/54/814541654.db2.gz UTORGHXSJNWCBH-UHFFFAOYSA-N 2 0 267.373 -0.174 20 30 CBEDRP N#C[C@H]1CCCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160643087 815650885 /nfs/dbraw/zinc/65/08/85/815650885.db2.gz XOURFBWJMAQQLU-DGCLKSJQSA-N 2 0 279.388 -0.501 20 30 CBEDRP CCCCN(CC#N)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160735421 815665829 /nfs/dbraw/zinc/66/58/29/815665829.db2.gz TVJKWHZBLHNYPV-ZDUSSCGKSA-N 2 0 281.404 -0.111 20 30 CBEDRP C#CC[C@H]([NH3+])C(=O)N1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001160811841 815673384 /nfs/dbraw/zinc/67/33/84/815673384.db2.gz VOFYHNKINXMMRK-TYNCELHUSA-N 2 0 293.367 -0.662 20 30 CBEDRP C#CC1CCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160912722 815687179 /nfs/dbraw/zinc/68/71/79/815687179.db2.gz NUOKIADNJNTRBY-AWEZNQCLSA-N 2 0 278.400 -0.391 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161140636 815720854 /nfs/dbraw/zinc/72/08/54/815720854.db2.gz JLHPKOBKQNQHHM-DLOVCJGASA-N 2 0 283.351 -0.801 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001161226393 815730031 /nfs/dbraw/zinc/73/00/31/815730031.db2.gz GMGCZCYWPMIQCR-UHFFFAOYSA-N 2 0 296.415 -0.438 20 30 CBEDRP C#CCC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001316967297 816908204 /nfs/dbraw/zinc/90/82/04/816908204.db2.gz YQTTVUMQACZELP-OAHLLOKOSA-N 2 0 292.427 -0.162 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317118516 816934652 /nfs/dbraw/zinc/93/46/52/816934652.db2.gz SZYICGPSMIIKLF-FRRDWIJNSA-N 2 0 294.399 -0.380 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCO)CC1 ZINC001317415113 816974150 /nfs/dbraw/zinc/97/41/50/816974150.db2.gz HEXIHPOJHJDXCX-CYBMUJFWSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001317599461 817027903 /nfs/dbraw/zinc/02/79/03/817027903.db2.gz WAYDVEHMKIXZMY-GFCCVEGCSA-N 2 0 282.388 -0.876 20 30 CBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001320199347 817288356 /nfs/dbraw/zinc/28/83/56/817288356.db2.gz BGUPXOGBCPEJAY-RYUDHWBXSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320219562 817297417 /nfs/dbraw/zinc/29/74/17/817297417.db2.gz YGEMMLMNECMQCM-ZDUSSCGKSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+]1CCC2 ZINC001320242283 817302340 /nfs/dbraw/zinc/30/23/40/817302340.db2.gz LIIALFVRTSMDCY-CYBMUJFWSA-N 2 0 279.384 -0.295 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001320274810 817310956 /nfs/dbraw/zinc/31/09/56/817310956.db2.gz RRGSVLGMNGDVNL-RYUDHWBXSA-N 2 0 255.362 -0.583 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320296670 817318209 /nfs/dbraw/zinc/31/82/09/817318209.db2.gz VCAKXJVCUDTLNW-QWHCGFSZSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320296667 817318356 /nfs/dbraw/zinc/31/83/56/817318356.db2.gz VCAKXJVCUDTLNW-CHWSQXEVSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320372898 817329185 /nfs/dbraw/zinc/32/91/85/817329185.db2.gz RSPOOXCRSIGFDT-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164539124 819924350 /nfs/dbraw/zinc/92/43/50/819924350.db2.gz SNGZPBHECUADET-ZDUSSCGKSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367345 819958082 /nfs/dbraw/zinc/95/80/82/819958082.db2.gz SZZDREPUMNFRRU-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP C[NH+](C)CCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001165367510 819958592 /nfs/dbraw/zinc/95/85/92/819958592.db2.gz XOZKHYQZAUDZJE-UHFFFAOYSA-N 2 0 283.376 -0.936 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004547 819988793 /nfs/dbraw/zinc/98/87/93/819988793.db2.gz RBKFGQUYOPUUEM-CQSZACIVSA-N 2 0 298.431 -0.029 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001166004062 819988945 /nfs/dbraw/zinc/98/89/45/819988945.db2.gz DPLIWFSWOKDGEU-CQSZACIVSA-N 2 0 296.415 -0.582 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626251 820008785 /nfs/dbraw/zinc/00/87/85/820008785.db2.gz CQPXHKFSIQJZNY-CYBMUJFWSA-N 2 0 294.399 -0.684 20 30 CBEDRP CSc1ncc(C#N)c(N[C@@H]([NH3+])CCC[NH3+])n1 ZINC001170896846 820333164 /nfs/dbraw/zinc/33/31/64/820333164.db2.gz AMJYRRFGDHDVGV-MRVPVSSYSA-N 2 0 252.347 -0.072 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171216398 820351919 /nfs/dbraw/zinc/35/19/19/820351919.db2.gz HXJXTRUENVCFNO-ZDUSSCGKSA-N 2 0 294.399 -0.827 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176096489 820440574 /nfs/dbraw/zinc/44/05/74/820440574.db2.gz SDWWFMYLMQTBHD-STQMWFEESA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C(C)C ZINC001176971524 820485149 /nfs/dbraw/zinc/48/51/49/820485149.db2.gz BJMJWYMFJUFQQT-UHFFFAOYSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249065 821112907 /nfs/dbraw/zinc/11/29/07/821112907.db2.gz MOHLIPUDKJARON-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185715975 821140746 /nfs/dbraw/zinc/14/07/46/821140746.db2.gz MLTXOTVLOIJTJP-OLZOCXBDSA-N 2 0 294.399 -0.734 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186452439 821182725 /nfs/dbraw/zinc/18/27/25/821182725.db2.gz PMGUOQXIARZTIW-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CCC[NH2+]CCN(CCO)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001279885801 828341909 /nfs/dbraw/zinc/34/19/09/828341909.db2.gz DAEXGVKGEJUKFK-CQSZACIVSA-N 2 0 281.400 -0.238 20 30 CBEDRP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280668377 828371035 /nfs/dbraw/zinc/37/10/35/828371035.db2.gz LWHBJALNBUYKLP-UONOGXRCSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001281820488 828425406 /nfs/dbraw/zinc/42/54/06/828425406.db2.gz GKEFIXXRQHYYGK-UHFFFAOYSA-N 2 0 279.384 -0.342 20 30 CBEDRP C#CC[N@H+](C)CCOCCNC(=O)C[NH+]1CCCC1 ZINC001283424676 828518400 /nfs/dbraw/zinc/51/84/00/828518400.db2.gz KSNGYNYIKMLVEJ-UHFFFAOYSA-N 2 0 267.373 -0.220 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001283772921 828547282 /nfs/dbraw/zinc/54/72/82/828547282.db2.gz UQHVTKULSONUQD-ZDUSSCGKSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283805123 828550611 /nfs/dbraw/zinc/55/06/11/828550611.db2.gz QIBQITYNTUBUGB-WFASDCNBSA-N 2 0 299.390 -0.101 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001284467546 828599498 /nfs/dbraw/zinc/59/94/98/828599498.db2.gz KLHLJPSVQNKFSC-ZIAGYGMSSA-N 2 0 299.415 -0.450 20 30 CBEDRP C#CC[NH2+]CCOCCN(C)C(=O)C[NH+]1CCCC1 ZINC001284877320 828626741 /nfs/dbraw/zinc/62/67/41/828626741.db2.gz CBMSEKOASMAMPI-UHFFFAOYSA-N 2 0 267.373 -0.220 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1OC[C@@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832319 824562424 /nfs/dbraw/zinc/56/24/24/824562424.db2.gz NNPWZUWUICBYJV-PPCPHDFISA-N 2 0 251.330 -0.118 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1OC[C@H]1C[C@@H]2CC[NH2+]C[C@@H]2O1 ZINC001217910898 824564582 /nfs/dbraw/zinc/56/45/82/824564582.db2.gz NNPWZUWUICBYJV-WJTVCTBASA-N 2 0 251.330 -0.118 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]C[C@@H]1O)C[NH2+]CC2 ZINC001218553086 824590464 /nfs/dbraw/zinc/59/04/64/824590464.db2.gz NBRYTQLSAUFXDC-UWVGGRQHSA-N 2 0 292.364 -0.216 20 30 CBEDRP N#Cc1nc(N)c(NC(=O)[C@@H]([NH3+])CCCC[NH3+])nc1C#N ZINC001218596099 824601817 /nfs/dbraw/zinc/60/18/17/824601817.db2.gz UVAKAPXBPFCMAL-ZETCQYMHSA-N 2 0 288.315 -0.803 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])CCC[NH3+])c(C#C)n1 ZINC001218657928 824617863 /nfs/dbraw/zinc/61/78/63/824617863.db2.gz XGVYTZLCSLBARK-JTQLQIEISA-N 2 0 257.297 -0.556 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@H]([NH3+])Cc2cnc[nH]2)c(C#C)n1 ZINC001218657349 824618342 /nfs/dbraw/zinc/61/83/42/824618342.db2.gz JSCTYGAUQNZQDG-LLVKDONJSA-N 2 0 280.291 -0.329 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)c(C#C)n1 ZINC001218657792 824618365 /nfs/dbraw/zinc/61/83/65/824618365.db2.gz SUYIZYOYTGRMBB-BDJLRTHQSA-N 2 0 295.346 -0.423 20 30 CBEDRP N=C(c1ccccc1N)N(O)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218969098 824651183 /nfs/dbraw/zinc/65/11/83/824651183.db2.gz YNHJWQJAIUAMTJ-JTQLQIEISA-N 2 0 297.384 -0.169 20 30 CBEDRP C#CCN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219812368 824898372 /nfs/dbraw/zinc/89/83/72/824898372.db2.gz ZWKKAVTVZXMEIP-OLZOCXBDSA-N 2 0 265.357 -0.735 20 30 CBEDRP N#CNC(=NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)c1ccncc1 ZINC001219971856 824926412 /nfs/dbraw/zinc/92/64/12/824926412.db2.gz CQYDPDYUTHIKFN-NSHDSACASA-N 2 0 284.323 -0.766 20 30 CBEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220035312 824938977 /nfs/dbraw/zinc/93/89/77/824938977.db2.gz BGFPCIUEFKNFTF-YUMQZZPRSA-N 2 0 263.363 -0.970 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001220124731 824960825 /nfs/dbraw/zinc/96/08/25/824960825.db2.gz IQUQKLRCXHJLDB-NSHDSACASA-N 2 0 269.345 -0.451 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220124962 824962349 /nfs/dbraw/zinc/96/23/49/824962349.db2.gz RPTDVMRFABRAAM-SNVBAGLBSA-N 2 0 267.329 -0.969 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CO[C@]2(C1)CCC[NH2+]C2 ZINC001220319131 825014329 /nfs/dbraw/zinc/01/43/29/825014329.db2.gz DFUSGPFKAHZMAD-WXHSDQCUSA-N 2 0 251.330 -0.636 20 30 CBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)OCC ZINC001220570826 825064323 /nfs/dbraw/zinc/06/43/23/825064323.db2.gz AUHTZOZHTPNTNS-NRUUGDAUSA-N 2 0 269.345 -0.323 20 30 CBEDRP N=C(NC(=O)[C@@H]([NH3+])CCCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643559 825079092 /nfs/dbraw/zinc/07/90/92/825079092.db2.gz KIFQGSWGQHBDRD-NSHDSACASA-N 2 0 291.355 -0.526 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@@H]1CC[NH2+]C[C@H]1C(F)(F)F ZINC001220804285 825104107 /nfs/dbraw/zinc/10/41/07/825104107.db2.gz NTYDRZUNTCMNGP-MRTMQBJTSA-N 2 0 263.263 -0.006 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)C1(N)CC[NH2+]CC1 ZINC001220868197 825115177 /nfs/dbraw/zinc/11/51/77/825115177.db2.gz DUJNHFURJJOQFH-LBPRGKRZSA-N 2 0 266.389 -0.166 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1O ZINC001220868449 825115612 /nfs/dbraw/zinc/11/56/12/825115612.db2.gz KIRWGNTZYVFTQZ-QJPTWQEYSA-N 2 0 253.346 -0.667 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCN1C(=O)C[NH3+] ZINC001220868703 825116540 /nfs/dbraw/zinc/11/65/40/825116540.db2.gz PJHGXMMZBUQCCC-STQMWFEESA-N 2 0 294.399 -0.297 20 30 CBEDRP N#CC1(NC(=O)[C@@H]([NH3+])CSCC[NH3+])CCOCC1 ZINC001220967153 825130686 /nfs/dbraw/zinc/13/06/86/825130686.db2.gz UFIALNPXEVVKAX-VIFPVBQESA-N 2 0 272.374 -0.805 20 30 CBEDRP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)C(=O)OC ZINC001221382119 825180240 /nfs/dbraw/zinc/18/02/40/825180240.db2.gz NGJHRNGIQZYEIR-SMDDNHRTSA-N 2 0 283.372 -0.063 20 30 CBEDRP C#CCCC1(CCNC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)N=N1 ZINC001221411637 825187139 /nfs/dbraw/zinc/18/71/39/825187139.db2.gz ZVAKXDWUMFLJAU-NSHDSACASA-N 2 0 275.356 -0.123 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245992011 825617764 /nfs/dbraw/zinc/61/77/64/825617764.db2.gz XOOPNAKUVLLECF-AWEZNQCLSA-N 2 0 269.389 -0.424 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+]C1CN(C2CC[NH2+]CC2)C1 ZINC001245992018 825617899 /nfs/dbraw/zinc/61/78/99/825617899.db2.gz XOOPNAKUVLLECF-CQSZACIVSA-N 2 0 269.389 -0.424 20 30 CBEDRP C=CCOC[C@@H](O)C[N@H+]1CCC[C@](O)(C[NH3+])CC1 ZINC001246025498 825626131 /nfs/dbraw/zinc/62/61/31/825626131.db2.gz YNYGFVFYEXHNIL-QWHCGFSZSA-N 2 0 258.362 -0.274 20 30 CBEDRP C=C[C@](C)(O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246052032 825630651 /nfs/dbraw/zinc/63/06/51/825630651.db2.gz AJNIKUKCWOXTEF-ZDUSSCGKSA-N 2 0 256.394 -0.992 20 30 CBEDRP N#C[C@@H]1C[C@@H]([NH2+]CCCC[C@H]([NH3+])C(N)=O)CCN1 ZINC001246404831 825671358 /nfs/dbraw/zinc/67/13/58/825671358.db2.gz LULHRLBWWSTUEG-DCAQKATOSA-N 2 0 253.350 -0.797 20 30 CBEDRP C=CCN1CCC[C@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246363075 825668663 /nfs/dbraw/zinc/66/86/63/825668663.db2.gz OVQITENOVNEZHC-OLZOCXBDSA-N 2 0 278.400 -0.153 20 30 CBEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCC[C@](O)(C[NH3+])CC2)CCN1 ZINC001246554473 825685068 /nfs/dbraw/zinc/68/50/68/825685068.db2.gz VGIMOPJCDWQFMO-RWMBFGLXSA-N 2 0 252.362 -0.194 20 30 CBEDRP N#CCCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246790925 825711897 /nfs/dbraw/zinc/71/18/97/825711897.db2.gz OSFQLPFDWSOGBZ-ZDUSSCGKSA-N 2 0 263.389 -0.388 20 30 CBEDRP N#C[C@@H]1C[C@H]([N@@H+]2C[C@H]3COC[C@@H](C2)C3[NH3+])CCN1 ZINC001246859356 825723757 /nfs/dbraw/zinc/72/37/57/825723757.db2.gz KGVFQWASVJOBSK-KZKMVBDOSA-N 2 0 250.346 -0.464 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001251840753 825793495 /nfs/dbraw/zinc/79/34/95/825793495.db2.gz UTDUFIMTBNMBQE-HZSPNIEDSA-N 2 0 252.358 -0.119 20 30 CBEDRP C=C[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001253580882 825917970 /nfs/dbraw/zinc/91/79/70/825917970.db2.gz AJWNMXGCZQYUMV-LBPRGKRZSA-N 2 0 255.362 -0.371 20 30 CBEDRP C=C[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001253580879 825917975 /nfs/dbraw/zinc/91/79/75/825917975.db2.gz AJWNMXGCZQYUMV-GFCCVEGCSA-N 2 0 255.362 -0.371 20 30 CBEDRP C#CC[S@@](=O)Cc1cn(CCCC[NH2+]CCC[NH3+])nn1 ZINC001254164626 825946158 /nfs/dbraw/zinc/94/61/58/825946158.db2.gz PRJRCCXQTBIHOV-HXUWFJFHSA-N 2 0 297.428 -0.121 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN([C@H](C)CC(=O)OC)CC1 ZINC001263115772 826740212 /nfs/dbraw/zinc/74/02/12/826740212.db2.gz DBQZJCHBIUKOMQ-GFCCVEGCSA-N 2 0 281.356 -0.695 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265503373 826900766 /nfs/dbraw/zinc/90/07/66/826900766.db2.gz RSSOECGYPRTXQK-AVGNSLFASA-N 2 0 294.399 -0.687 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265789984 826918634 /nfs/dbraw/zinc/91/86/34/826918634.db2.gz CNJGDRDCOALWIY-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863785 826930111 /nfs/dbraw/zinc/93/01/11/826930111.db2.gz KTSKKMPIMILUKC-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+][C@H](C)C(N)=O)CC1 ZINC001265870168 826932214 /nfs/dbraw/zinc/93/22/14/826932214.db2.gz KMXLZYJCKNGHSR-VXGBXAGGSA-N 2 0 294.399 -0.700 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265947266 826942230 /nfs/dbraw/zinc/94/22/30/826942230.db2.gz BVHBGOIHTWCCNF-LBPRGKRZSA-N 2 0 295.387 -0.843 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001266561746 827022612 /nfs/dbraw/zinc/02/26/12/827022612.db2.gz DZUYFTAMDBTWTQ-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266744908 827061737 /nfs/dbraw/zinc/06/17/37/827061737.db2.gz XBPKYMCRNSEIKK-ZDUSSCGKSA-N 2 0 294.399 -0.732 20 30 CBEDRP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800063 827222243 /nfs/dbraw/zinc/22/22/43/827222243.db2.gz MLDLYFTZZAGCPH-RYUDHWBXSA-N 2 0 295.387 -0.795 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268308064 827291686 /nfs/dbraw/zinc/29/16/86/827291686.db2.gz MPIZWIKRZGNMKP-JHJVBQTASA-N 2 0 267.373 -0.583 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268314809 827293985 /nfs/dbraw/zinc/29/39/85/827293985.db2.gz LSHVPXWUUCXUFH-NEPJUHHUSA-N 2 0 253.346 -0.829 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[N@@H+](C)CC ZINC001268329675 827304096 /nfs/dbraw/zinc/30/40/96/827304096.db2.gz WOJBJYCDPYOMTP-LBPRGKRZSA-N 2 0 255.362 -0.582 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268329423 827304888 /nfs/dbraw/zinc/30/48/88/827304888.db2.gz UEESXSZKAYLPGM-NEPJUHHUSA-N 2 0 255.362 -0.419 20 30 CBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268332311 827307004 /nfs/dbraw/zinc/30/70/04/827307004.db2.gz YJEYLEWKEYATRX-GFCCVEGCSA-N 2 0 267.373 -0.275 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001268336006 827308836 /nfs/dbraw/zinc/30/88/36/827308836.db2.gz QCOMZRQMXJEESF-KGLIPLIRSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268422750 827325161 /nfs/dbraw/zinc/32/51/61/827325161.db2.gz HNFPMFAUCASSLO-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268690376 827403523 /nfs/dbraw/zinc/40/35/23/827403523.db2.gz DEZGACXXPYXFFA-LBPRGKRZSA-N 2 0 296.415 -0.133 20 30 CBEDRP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268784539 827420895 /nfs/dbraw/zinc/42/08/95/827420895.db2.gz XDWZRJJAZPPBBZ-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CC)[NH2+]CCO)CC1 ZINC001269517727 827516378 /nfs/dbraw/zinc/51/63/78/827516378.db2.gz ZNWGASOWZPHZFV-AWEZNQCLSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270594751 827581305 /nfs/dbraw/zinc/58/13/05/827581305.db2.gz JKWYELJBMHRJKC-CHWSQXEVSA-N 2 0 294.399 -0.971 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCO)CC1 ZINC001270603910 827581312 /nfs/dbraw/zinc/58/13/12/827581312.db2.gz MZOUVXSZYNDPTK-CYBMUJFWSA-N 2 0 281.400 -0.334 20 30 CBEDRP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001271170250 827671642 /nfs/dbraw/zinc/67/16/42/827671642.db2.gz JGZNTRDXOZJIMY-RYUDHWBXSA-N 2 0 297.403 -0.597 20 30 CBEDRP C#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001271218878 827677308 /nfs/dbraw/zinc/67/73/08/827677308.db2.gz DNXHCDWWVBVTEM-GXTWGEPZSA-N 2 0 265.357 -0.876 20 30 CBEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001271931763 827735632 /nfs/dbraw/zinc/73/56/32/827735632.db2.gz GFMNYJSIEUUCRG-AWEZNQCLSA-N 2 0 292.427 -0.259 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001272505806 827810605 /nfs/dbraw/zinc/81/06/05/827810605.db2.gz ZTDPVZHJMDANCP-RWMBFGLXSA-N 2 0 267.373 -0.583 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001272537761 827818145 /nfs/dbraw/zinc/81/81/45/827818145.db2.gz XMZVETNMHJIGNC-CYBMUJFWSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)CCC[NH+]1CCCC1 ZINC001272585718 827826027 /nfs/dbraw/zinc/82/60/27/827826027.db2.gz XFWWFENTABTTDY-CQSZACIVSA-N 2 0 281.400 -0.048 20 30 CBEDRP C#CCN1C[C@@]2(CCN(CCC[NH+](C)C)C2)OCC1=O ZINC001273711483 827920938 /nfs/dbraw/zinc/92/09/38/827920938.db2.gz DXLCUNGFTKSWRC-HNNXBMFYSA-N 2 0 279.384 -0.125 20 30 CBEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CN(C)CCO1 ZINC001275802408 828115693 /nfs/dbraw/zinc/11/56/93/828115693.db2.gz ZZTXJVWSBXGLAC-VXGBXAGGSA-N 2 0 253.346 -0.613 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001278106110 828249054 /nfs/dbraw/zinc/24/90/54/828249054.db2.gz UKWKQYBANMELKL-ZDUSSCGKSA-N 2 0 279.384 -0.295 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001278768153 828284797 /nfs/dbraw/zinc/28/47/97/828284797.db2.gz PHDFPZNRRCOGTD-ZDUSSCGKSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001278768152 828285110 /nfs/dbraw/zinc/28/51/10/828285110.db2.gz PHDFPZNRRCOGTD-CYBMUJFWSA-N 2 0 267.373 -0.487 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CN(C)C(=O)C[NH+]1CCCC1 ZINC001278833080 828294544 /nfs/dbraw/zinc/29/45/44/828294544.db2.gz PBTRLLOURHGPCP-ZDUSSCGKSA-N 2 0 267.373 -0.486 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCC[NH2+]CC1)C2 ZINC001336978197 888939569 /nfs/dbraw/zinc/93/95/69/888939569.db2.gz QWQYOXQPAYREKC-MBHSVXNSSA-N 2 0 262.357 -0.052 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1OC[C@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217910890 884788319 /nfs/dbraw/zinc/78/83/19/884788319.db2.gz NNPWZUWUICBYJV-FHUSYTEZSA-N 2 0 251.330 -0.118 20 30 CBEDRP C=CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001278821683 884820366 /nfs/dbraw/zinc/82/03/66/884820366.db2.gz MHFWSPQKAKBCAL-GXTWGEPZSA-N 2 0 267.373 -0.323 20 30 CBEDRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC001326568521 885068660 /nfs/dbraw/zinc/06/86/60/885068660.db2.gz ZSVPFNCBCYTESU-HBNTYKKESA-N 2 0 254.334 -0.418 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC001326784442 885143743 /nfs/dbraw/zinc/14/37/43/885143743.db2.gz QQBPQXXJXBMAFC-LBPRGKRZSA-N 2 0 267.377 -0.581 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001328207454 885602952 /nfs/dbraw/zinc/60/29/52/885602952.db2.gz LSFXMVOLYVOOAA-ZDUSSCGKSA-N 2 0 281.400 -0.097 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001329098673 885927384 /nfs/dbraw/zinc/92/73/84/885927384.db2.gz BHMAYRJCGQRDJO-WDEREUQCSA-N 2 0 254.334 -0.416 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C12CCC[NH+]1CCC2 ZINC001331738424 886946713 /nfs/dbraw/zinc/94/67/13/886946713.db2.gz AUCFSJIUXWZBFM-GFCCVEGCSA-N 2 0 267.373 -0.133 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331787386 886980837 /nfs/dbraw/zinc/98/08/37/886980837.db2.gz IFKRLMYABBNHSE-CHWSQXEVSA-N 2 0 269.389 -0.029 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001331806032 886990379 /nfs/dbraw/zinc/99/03/79/886990379.db2.gz SWKVXNUFJUOFFD-ZDUSSCGKSA-N 2 0 299.334 -0.419 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001331841414 887008776 /nfs/dbraw/zinc/00/87/76/887008776.db2.gz MAVGAMCCTGMLAU-ZIAGYGMSSA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001332575525 887361817 /nfs/dbraw/zinc/36/18/17/887361817.db2.gz PWTXDJVBKAJEAM-JHJVBQTASA-N 2 0 290.367 -0.434 20 30 CBEDRP C[C@H]([NH3+])CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001333184436 887556464 /nfs/dbraw/zinc/55/64/64/887556464.db2.gz XSMVGCVECYGJRE-MSLYCWSTSA-N 2 0 250.346 -0.021 20 30 CBEDRP CN1CCN(C)[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001333636474 887729063 /nfs/dbraw/zinc/72/90/63/887729063.db2.gz UBXZAGRLMFRZNO-AWEZNQCLSA-N 2 0 278.400 -0.649 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC001336756788 888868683 /nfs/dbraw/zinc/86/86/83/888868683.db2.gz RQASWNZABRNSTI-AWEZNQCLSA-N 2 0 280.416 -0.259 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H](CC[NH+](C)C)OCC ZINC001340106399 889386760 /nfs/dbraw/zinc/38/67/60/889386760.db2.gz UHAVYSFPRIXYDA-LBPRGKRZSA-N 2 0 255.362 -0.318 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCCC[NH+]1CCN(CC)CC1 ZINC001340249553 889415191 /nfs/dbraw/zinc/41/51/91/889415191.db2.gz PDQPLECLPCAEHL-UHFFFAOYSA-N 2 0 280.416 -0.257 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[NH2+]2)CC1 ZINC001340854472 889498465 /nfs/dbraw/zinc/49/84/65/889498465.db2.gz TZMLBQCDRFODSH-JSGCOSHPSA-N 2 0 267.373 -0.134 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[NH2+]2)CC1 ZINC001340854475 889498490 /nfs/dbraw/zinc/49/84/90/889498490.db2.gz TZMLBQCDRFODSH-OCCSQVGLSA-N 2 0 267.373 -0.134 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001341114722 889545258 /nfs/dbraw/zinc/54/52/58/889545258.db2.gz ADLHEWAEYZZCJE-KGLIPLIRSA-N 2 0 267.373 -0.003 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001343453476 889911816 /nfs/dbraw/zinc/91/18/16/889911816.db2.gz OCJCCCFDRSSDEG-AWEZNQCLSA-N 2 0 280.416 -0.401 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001346492385 890304318 /nfs/dbraw/zinc/30/43/18/890304318.db2.gz ISKAFDDNNLFDQK-NWDGAFQWSA-N 2 0 268.361 -0.026 20 30 CBEDRP C[C@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143341 890416067 /nfs/dbraw/zinc/41/60/67/890416067.db2.gz PDITWUYBEFBEPR-STQMWFEESA-N 2 0 264.373 -0.944 20 30 CBEDRP C[C@@H](NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@H](C)[NH3+] ZINC001349817058 890897877 /nfs/dbraw/zinc/89/78/77/890897877.db2.gz RSWAHVGHJJCHQM-FBEGUXAISA-N 2 0 250.346 -0.022 20 30 CBEDRP C[C@@H]([NH3+])CN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001353067095 891355365 /nfs/dbraw/zinc/35/53/65/891355365.db2.gz CHMUQRZQRKGPGA-JJOYANBFSA-N 2 0 250.346 -0.069 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001354261080 891551714 /nfs/dbraw/zinc/55/17/14/891551714.db2.gz ZVJHFDBVFLZVSD-QWRGUYRKSA-N 2 0 253.346 -0.083 20 30 CBEDRP C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C[NH+](C)C ZINC001356597976 891784632 /nfs/dbraw/zinc/78/46/32/891784632.db2.gz WLNUPIIWADMYNM-OLZOCXBDSA-N 2 0 256.394 -0.020 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001379294441 898538646 /nfs/dbraw/zinc/53/86/46/898538646.db2.gz XXZIIGCOTQZWRA-LLVKDONJSA-N 2 0 275.780 -0.099 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001502057936 921330283 /nfs/dbraw/zinc/33/02/83/921330283.db2.gz IIAPHFOZHVXLAL-ZDUSSCGKSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087575 921335244 /nfs/dbraw/zinc/33/52/44/921335244.db2.gz PSSPMQOIVMNNEU-CYBMUJFWSA-N 2 0 277.368 -0.468 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC(N)=O)CC1 ZINC001503645512 921411386 /nfs/dbraw/zinc/41/13/86/921411386.db2.gz AOUZHTZBLIXFPD-LBPRGKRZSA-N 2 0 294.399 -0.699 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC001479621288 916140484 /nfs/dbraw/zinc/14/04/84/916140484.db2.gz VQLZCQRLCFXPCL-UHFFFAOYSA-N 2 0 296.415 -0.351 20 30 CBEDRP C=CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001479941426 916220710 /nfs/dbraw/zinc/22/07/10/916220710.db2.gz OTHWHTYIJJEKER-CQSZACIVSA-N 2 0 280.416 -0.142 20 30 CBEDRP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC(=O)NCC#N ZINC001480530629 916460008 /nfs/dbraw/zinc/46/00/08/916460008.db2.gz LCKXFVRMXKCRKW-NSHDSACASA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480591469 916488396 /nfs/dbraw/zinc/48/83/96/916488396.db2.gz ITINTXSLGXJBSO-CHWSQXEVSA-N 2 0 267.373 -0.318 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001480619474 916496732 /nfs/dbraw/zinc/49/67/32/916496732.db2.gz CLBDCXLKIQZPHU-OLZOCXBDSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481874211 917012411 /nfs/dbraw/zinc/01/24/11/917012411.db2.gz FSUIZYNTJYXGMJ-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482967709 917350723 /nfs/dbraw/zinc/35/07/23/917350723.db2.gz XEVQWYHRPKLQJZ-CYBMUJFWSA-N 2 0 296.415 -0.322 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001484185991 917747352 /nfs/dbraw/zinc/74/73/52/917747352.db2.gz GTPDCXKGXBMSBZ-CYBMUJFWSA-N 2 0 279.384 -0.031 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC001486052337 918345065 /nfs/dbraw/zinc/34/50/65/918345065.db2.gz FTAAIRQABUUCBA-NEPJUHHUSA-N 2 0 257.378 -0.031 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](O)C[NH2+]CC=C)CC1 ZINC001486318413 918423621 /nfs/dbraw/zinc/42/36/21/918423621.db2.gz SHLNEVXURVXQBM-OAHLLOKOSA-N 2 0 293.411 -0.074 20 30 CBEDRP C=CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001486348412 918446025 /nfs/dbraw/zinc/44/60/25/918446025.db2.gz ZRPBZYJDXKKKJP-LBPRGKRZSA-N 2 0 257.378 -0.125 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)C1=O ZINC001491568731 919207854 /nfs/dbraw/zinc/20/78/54/919207854.db2.gz MKXJOJMHLPOXTC-QWHCGFSZSA-N 2 0 296.415 -0.181 20 30 CBEDRP COCC#CC[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001492857589 919441102 /nfs/dbraw/zinc/44/11/02/919441102.db2.gz PGPHFFGIBYNJHF-UHFFFAOYSA-N 2 0 267.373 -0.220 20 30 CBEDRP COCC#CC[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001493793753 919620175 /nfs/dbraw/zinc/62/01/75/919620175.db2.gz LOSALYNXXBMZHA-UHFFFAOYSA-N 2 0 267.373 -0.220 20 30 CBEDRP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001496991869 920197382 /nfs/dbraw/zinc/19/73/82/920197382.db2.gz FFKSVELBYHVISQ-KBPBESRZSA-N 2 0 299.415 -0.711 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001497082494 920244898 /nfs/dbraw/zinc/24/48/98/920244898.db2.gz YFCJSKVEXWLWBW-ZDUSSCGKSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001497091638 920246175 /nfs/dbraw/zinc/24/61/75/920246175.db2.gz JGZQYLQBBGEHBE-RYUDHWBXSA-N 2 0 255.362 -0.583 20 30 CBEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001497115073 920254264 /nfs/dbraw/zinc/25/42/64/920254264.db2.gz SWNCHEAIYPYPOK-NEPJUHHUSA-N 2 0 255.362 -0.419 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]C(C)C)CC1 ZINC001497120525 920258129 /nfs/dbraw/zinc/25/81/29/920258129.db2.gz ZOQYVJWLFUDFKV-AWEZNQCLSA-N 2 0 281.400 -0.193 20 30 CBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1CC[NH+](C)CC1 ZINC001498104365 920482462 /nfs/dbraw/zinc/48/24/62/920482462.db2.gz AZMNJHXMDXENDG-NSHDSACASA-N 2 0 295.387 -0.938 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001498168346 920510050 /nfs/dbraw/zinc/51/00/50/920510050.db2.gz OXWBUIHKUYTDFB-JSGCOSHPSA-N 2 0 296.415 -0.584 20 30 CBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001499183363 920717867 /nfs/dbraw/zinc/71/78/67/920717867.db2.gz AZKFNYBUODRPPA-LBPRGKRZSA-N 2 0 294.399 -0.379 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001500687009 920858587 /nfs/dbraw/zinc/85/85/87/920858587.db2.gz QELGJXUHZDVQRM-CQSZACIVSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500724875 920874097 /nfs/dbraw/zinc/87/40/97/920874097.db2.gz JAQUWHGUTQFNPW-HOCLYGCPSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+](CCOC)CC1 ZINC001521454367 922357338 /nfs/dbraw/zinc/35/73/38/922357338.db2.gz IEBAILZIHFYDKH-UHFFFAOYSA-N 2 0 253.346 -0.564 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC([NH2+][C@H]2CCOC2)C1 ZINC001558549841 924182971 /nfs/dbraw/zinc/18/29/71/924182971.db2.gz ULPBQCXSZBEKPL-NSHDSACASA-N 2 0 253.346 -0.307 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@](C)(O)C[NH+](C)C)CC1 ZINC000153060638 351943320 /nfs/dbraw/zinc/94/33/20/351943320.db2.gz AHNHKTQGYDLPNR-HNNXBMFYSA-N 2 0 281.400 -0.240 20 30 CBEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303875730 352745211 /nfs/dbraw/zinc/74/52/11/352745211.db2.gz HRWZIETYSMRPKN-UHFFFAOYSA-N 2 0 269.393 -0.729 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+](C)[C@H](C)CO)CC1 ZINC000305697681 352749725 /nfs/dbraw/zinc/74/97/25/352749725.db2.gz AQMYFGXEUDGQDS-GFCCVEGCSA-N 2 0 253.346 -0.924 20 30 CBEDRP C[NH+](CC#CC[N@@H+](C)C1CC(O)C1)C1CC(O)C1 ZINC000341911932 353218253 /nfs/dbraw/zinc/21/82/53/353218253.db2.gz OSXFYZHZEVCTPJ-UHFFFAOYSA-N 2 0 252.358 -0.100 20 30 CBEDRP C=CCNC(=O)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619022 354250836 /nfs/dbraw/zinc/25/08/36/354250836.db2.gz YPJCRMQFJARVSR-ZDUSSCGKSA-N 2 0 294.399 -0.568 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000491392317 354456585 /nfs/dbraw/zinc/45/65/85/354456585.db2.gz BRCOZTVMEMWDHR-GFCCVEGCSA-N 2 0 252.362 -0.055 20 30 CBEDRP C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000572993331 354902811 /nfs/dbraw/zinc/90/28/11/354902811.db2.gz YVUAYDPMVUUGQZ-MCIONIFRSA-N 2 0 269.389 -0.472 20 30 CBEDRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594426115 355247644 /nfs/dbraw/zinc/24/76/44/355247644.db2.gz NLCFTJWKOLYLJH-GFCCVEGCSA-N 2 0 295.387 -0.712 20 30 CBEDRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000595256734 355275200 /nfs/dbraw/zinc/27/52/00/355275200.db2.gz RLSVPLDFSPIMKH-LBPRGKRZSA-N 2 0 297.403 -0.514 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)CCC[NH2+]1 ZINC000595968947 355331072 /nfs/dbraw/zinc/33/10/72/355331072.db2.gz AHEVIOGHJLPNHT-SLEUVZQESA-N 2 0 292.383 -0.545 20 30 CBEDRP CN(CCC#N)C(=O)CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000611302353 355800683 /nfs/dbraw/zinc/80/06/83/355800683.db2.gz KXFJMAFSYOPJPH-VXGBXAGGSA-N 2 0 250.346 -0.100 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCCC1 ZINC000178986945 220222275 /nfs/dbraw/zinc/22/22/75/220222275.db2.gz ZOYRHCZOKAXNMN-GFCCVEGCSA-N 2 0 251.378 -0.343 20 30 CBEDRP C[NH+]=C(NCCn1cncn1)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261830826 220245486 /nfs/dbraw/zinc/24/54/86/220245486.db2.gz VLGREZCDIFECSV-WCQYABFASA-N 2 0 291.403 -0.074 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1COCCO1 ZINC000262011834 220247405 /nfs/dbraw/zinc/24/74/05/220247405.db2.gz UJMLPTQVGAPWKU-NWDGAFQWSA-N 2 0 270.377 -0.210 20 30 CBEDRP C[C@@H]1CN(C(=[NH2+])NC[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC000262469271 220251247 /nfs/dbraw/zinc/25/12/47/220251247.db2.gz OKXBTKXYCZLVEW-ZYHUDNBSSA-N 2 0 256.350 -0.912 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262658306 220256177 /nfs/dbraw/zinc/25/61/77/220256177.db2.gz MFFYVDVPONFKLW-RYUDHWBXSA-N 2 0 253.394 -0.050 20 30 CBEDRP C[NH+]=C(NCC(=O)NC(C)C)N[C@H]1CCN(C2CC2)C1 ZINC000262786630 220257938 /nfs/dbraw/zinc/25/79/38/220257938.db2.gz MKWJUWUIVDXANT-NSHDSACASA-N 2 0 281.404 -0.087 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC1=CC[N@H+](C)CC1 ZINC000263125375 220261593 /nfs/dbraw/zinc/26/15/93/220261593.db2.gz FJUBRKWUOOEZRL-UHFFFAOYSA-N 2 0 295.431 -0.255 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C)C)CC1 ZINC000286803081 220299726 /nfs/dbraw/zinc/29/97/26/220299726.db2.gz VCDBSSNUQQGIRK-UHFFFAOYSA-N 2 0 296.415 -0.227 20 30 CBEDRP C=C[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662165661 419554050 /nfs/dbraw/zinc/55/40/50/419554050.db2.gz KWUZPIFUGBMRPC-LLVKDONJSA-N 2 0 267.373 -0.134 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCC(O)(C[NH3+])CC2)CCC[NH2+]1 ZINC000662818086 419738429 /nfs/dbraw/zinc/73/84/29/419738429.db2.gz OLILDLJSDCJGQA-CQSZACIVSA-N 2 0 267.373 -0.003 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCOC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC000663217935 419830572 /nfs/dbraw/zinc/83/05/72/419830572.db2.gz UUGGTSOQPSOBAL-CQSZACIVSA-N 2 0 265.357 -0.115 20 30 CBEDRP C(#CCN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240037 544805783 /nfs/dbraw/zinc/80/57/83/544805783.db2.gz BRWYUKHJAZWNSC-GEEKYZPCSA-N 4 0 274.412 -0.708 20 30 CBEDRP C(#CCN1C[C@@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000671240039 544805959 /nfs/dbraw/zinc/80/59/59/544805959.db2.gz BRWYUKHJAZWNSC-YHUYYLMFSA-N 2 0 274.412 -0.708 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000262005524 279303641 /nfs/dbraw/zinc/30/36/41/279303641.db2.gz RJHCNFHDAYLNHV-GFCCVEGCSA-N 2 0 284.404 -0.084 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000491381987 332201107 /nfs/dbraw/zinc/20/11/07/332201107.db2.gz HCHWUPPXLMOQCT-UHFFFAOYSA-N 2 0 281.404 -0.854 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1CCC[NH2+]CC1 ZINC000491569315 332240401 /nfs/dbraw/zinc/24/04/01/332240401.db2.gz VOJYTEYMNXHJRX-UHFFFAOYSA-N 2 0 252.362 -0.054 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491677505 332282541 /nfs/dbraw/zinc/28/25/41/332282541.db2.gz YXTICMCJUUDAKN-GDNZZTSVSA-N 2 0 250.346 -0.542 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174719723 333006275 /nfs/dbraw/zinc/00/62/75/333006275.db2.gz SDUWZTCMUAZFID-CQSZACIVSA-N 2 0 280.416 -0.306 20 30 CBEDRP CN(CCC#N)C[C@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000517567895 333102643 /nfs/dbraw/zinc/10/26/43/333102643.db2.gz WZUCYHGFUIODNU-ZIAGYGMSSA-N 2 0 284.404 -0.761 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000568294721 334813360 /nfs/dbraw/zinc/81/33/60/334813360.db2.gz ZVLPREIMHBQSEN-ZDUSSCGKSA-N 2 0 294.399 -0.379 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000581776891 336145564 /nfs/dbraw/zinc/14/55/64/336145564.db2.gz CEGOOLDLZDHAPY-CQSZACIVSA-N 2 0 295.431 -0.079 20 30 CBEDRP C=CC[C@@H](CO)C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582003726 336189438 /nfs/dbraw/zinc/18/94/38/336189438.db2.gz WDERSHUMAXEXOQ-ZIAGYGMSSA-N 2 0 271.405 -0.631 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000104169887 582113134 /nfs/dbraw/zinc/11/31/34/582113134.db2.gz DMTGTRLYEUCSIX-CYBMUJFWSA-N 2 0 285.436 -0.047 20 30 CBEDRP COCC[N@H+](C)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000104173091 582113166 /nfs/dbraw/zinc/11/31/66/582113166.db2.gz OKHZISXGFLTNHA-NSHDSACASA-N 2 0 260.382 -0.106 20 30 CBEDRP CNC(NCCCC[NH+]1CCC(C(N)=O)CC1)=[NH+]C ZINC000727241499 582140992 /nfs/dbraw/zinc/14/09/92/582140992.db2.gz VHWMESAHNDXBDJ-UHFFFAOYSA-N 2 0 269.393 -0.241 20 30 CBEDRP C[NH+](C)CCN1c2ccccc2C(=NNC(N)=[NH2+])C1=O ZINC000807961733 582440787 /nfs/dbraw/zinc/44/07/87/582440787.db2.gz CBSYMXVJACATIQ-UHFFFAOYSA-N 2 0 274.328 -0.218 20 30 CBEDRP CC1CC[NH+](CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834479247 583124084 /nfs/dbraw/zinc/12/40/84/583124084.db2.gz BMDUNIOQKAJXHZ-RYUDHWBXSA-N 2 0 250.346 -0.054 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000834484142 583124582 /nfs/dbraw/zinc/12/45/82/583124582.db2.gz FEKNSEAZNJEBGX-NWDGAFQWSA-N 2 0 250.346 -0.006 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000834485452 583125124 /nfs/dbraw/zinc/12/51/24/583125124.db2.gz XDAOZSUVNMRYFZ-UPJWGTAASA-N 2 0 258.325 -0.043 20 30 CBEDRP COCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC[NH2+]CC1 ZINC000834484994 583125167 /nfs/dbraw/zinc/12/51/67/583125167.db2.gz QRHAPXLCWTUKJN-QWRGUYRKSA-N 2 0 266.345 -0.770 20 30 CBEDRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841850051 583175360 /nfs/dbraw/zinc/17/53/60/583175360.db2.gz VTPMFKARMZSMEN-GARJFASQSA-N 2 0 250.346 -0.008 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000843459264 583221727 /nfs/dbraw/zinc/22/17/27/583221727.db2.gz DDZCPFFUBSQFLY-HTQZYQBOSA-N 2 0 265.342 -0.514 20 30 CBEDRP CC[NH+]1CCN(CCC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000844195538 583260382 /nfs/dbraw/zinc/26/03/82/583260382.db2.gz WVIVHDCEEYBKCT-STQMWFEESA-N 2 0 279.388 -0.758 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCCN2CCC[N@H+](C)CC2)N1 ZINC000849000437 583465818 /nfs/dbraw/zinc/46/58/18/583465818.db2.gz TYEZEEYOBSYBID-GFCCVEGCSA-N 2 0 253.394 -0.049 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)N1 ZINC000849000318 583465844 /nfs/dbraw/zinc/46/58/44/583465844.db2.gz RVLUJRVYCJLEQS-MNOVXSKESA-N 2 0 267.377 -0.489 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NCCCN1CC[NH2+]CC1 ZINC000852790547 583552756 /nfs/dbraw/zinc/55/27/56/583552756.db2.gz SCKUWUBQVXUQKZ-UHFFFAOYSA-N 2 0 278.400 -0.599 20 30 CBEDRP [NH3+]C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852876493 583566121 /nfs/dbraw/zinc/56/61/21/583566121.db2.gz JXDQEGGGOKHFMS-GFCCVEGCSA-N 2 0 251.330 -0.825 20 30 CBEDRP COC[C@@]1(CNC(=O)C#CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000852881522 583567039 /nfs/dbraw/zinc/56/70/39/583567039.db2.gz XMTVVEHUCNFGSN-HNNXBMFYSA-N 2 0 279.384 -0.126 20 30 CBEDRP C#CC[C@H](COC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000863588527 583847947 /nfs/dbraw/zinc/84/79/47/583847947.db2.gz BGQYXTPTUDODAS-ZIAGYGMSSA-N 2 0 269.389 -0.777 20 30 CBEDRP C#CC[N@@H+](C)CCCNS(=O)(=O)CCC[NH+](C)C ZINC000867311269 583947938 /nfs/dbraw/zinc/94/79/38/583947938.db2.gz NAGMCWCEQUFTJR-UHFFFAOYSA-N 2 0 275.418 -0.187 20 30 CBEDRP CON=CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018747 584007405 /nfs/dbraw/zinc/00/74/05/584007405.db2.gz GOIDEOPVPVWRLU-VXGBXAGGSA-N 2 0 270.377 -0.184 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000876542475 584132661 /nfs/dbraw/zinc/13/26/61/584132661.db2.gz PIXFYENRXOWWFC-UWVGGRQHSA-N 2 0 260.769 -0.442 20 30 CBEDRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801807 584146247 /nfs/dbraw/zinc/14/62/47/584146247.db2.gz IZBMFUDIEYEKKT-STQMWFEESA-N 2 0 298.387 -0.801 20 30 CBEDRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801806 584146405 /nfs/dbraw/zinc/14/64/05/584146405.db2.gz IZBMFUDIEYEKKT-QWHCGFSZSA-N 2 0 298.387 -0.801 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000876846258 584149183 /nfs/dbraw/zinc/14/91/83/584149183.db2.gz ACECORIIJDCUID-UWVGGRQHSA-N 2 0 289.763 -0.180 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000900171219 584794092 /nfs/dbraw/zinc/79/40/92/584794092.db2.gz IDXUOINOIXGLOL-UHFFFAOYSA-N 2 0 296.415 -0.273 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595730 613033431 /nfs/dbraw/zinc/03/34/31/613033431.db2.gz UVKYGSHJSWRCNO-UONOGXRCSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC)C[C@H]2O)CC1 ZINC000958724357 613130550 /nfs/dbraw/zinc/13/05/50/613130550.db2.gz NXIHNPQUCWLJCJ-HUUCEWRRSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC000958591755 613288372 /nfs/dbraw/zinc/28/83/72/613288372.db2.gz IEYABFDNSNWXFZ-CHWSQXEVSA-N 2 0 277.368 -0.876 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000303363661 656138722 /nfs/dbraw/zinc/13/87/22/656138722.db2.gz FAJKNDZYAFTVCE-CYBMUJFWSA-N 2 0 283.420 -0.293 20 30 CBEDRP C[C@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCN(C)CC1 ZINC000303376508 656138953 /nfs/dbraw/zinc/13/89/53/656138953.db2.gz OMWCWYOIVSIZRI-LLVKDONJSA-N 2 0 253.394 -0.063 20 30 CBEDRP C=CCNC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303374347 656139010 /nfs/dbraw/zinc/13/90/10/656139010.db2.gz NAXRFPFPSVPXEA-LBPRGKRZSA-N 2 0 253.394 -0.040 20 30 CBEDRP CC(C)[C@@H](CNC(=[NH2+])N1CCOCC1)N1CC[NH+](C)CC1 ZINC000303777071 656139729 /nfs/dbraw/zinc/13/97/29/656139729.db2.gz INNNAXKRDHRPIQ-CQSZACIVSA-N 2 0 297.447 -0.095 20 30 CBEDRP C[NH+](C)CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303705760 656139801 /nfs/dbraw/zinc/13/98/01/656139801.db2.gz LCSLAMRXODXDTG-UHFFFAOYSA-N 2 0 271.409 -0.435 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303892558 656140285 /nfs/dbraw/zinc/14/02/85/656140285.db2.gz RIDBMNDZJZNOJY-JTQLQIEISA-N 2 0 269.393 -0.114 20 30 CBEDRP C[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000304757200 656140965 /nfs/dbraw/zinc/14/09/65/656140965.db2.gz OOLWENWPKYNCJV-CQSZACIVSA-N 3 0 297.447 -0.045 20 30 CBEDRP C[NH+](C)C1CCN(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000304726502 656141090 /nfs/dbraw/zinc/14/10/90/656141090.db2.gz PVLLCMZMUIGLMW-UHFFFAOYSA-N 2 0 283.420 -0.341 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@H](C(N)=O)O1 ZINC000305076243 656141321 /nfs/dbraw/zinc/14/13/21/656141321.db2.gz LCMFFAURFOCUEU-GRYCIOLGSA-N 2 0 297.403 -0.592 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]CCO)CC2)CC1 ZINC000997366259 656474797 /nfs/dbraw/zinc/47/47/97/656474797.db2.gz ZWUAPOHSMXTVKT-UHFFFAOYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908201361 656664839 /nfs/dbraw/zinc/66/48/39/656664839.db2.gz FPXRWQNJGHBMOE-GFCCVEGCSA-N 2 0 255.362 -0.323 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000908437495 656725603 /nfs/dbraw/zinc/72/56/03/656725603.db2.gz PFIYMVGUGINSPH-HNNXBMFYSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C)C[C@@H]1CO ZINC000912735037 657317306 /nfs/dbraw/zinc/31/73/06/657317306.db2.gz UOWTVLVCFFGXNY-GFCCVEGCSA-N 2 0 255.362 -0.371 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000913524575 657492384 /nfs/dbraw/zinc/49/23/84/657492384.db2.gz SDYHSTHUOBWIDA-YPMHNXCESA-N 2 0 253.346 -0.877 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000913524594 657492844 /nfs/dbraw/zinc/49/28/44/657492844.db2.gz SVZYLJDDEZDURY-UHFFFAOYSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CCO)C2)CC1 ZINC001016333307 657691321 /nfs/dbraw/zinc/69/13/21/657691321.db2.gz WBYUAJQQRYDHES-AWEZNQCLSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001019496536 657900704 /nfs/dbraw/zinc/90/07/04/657900704.db2.gz YORPONCRBYXHDY-AWEZNQCLSA-N 2 0 289.383 -0.118 20 30 CBEDRP C[NH+](C)C[C@@H]1CN(C(=O)NCC#CCO)C[C@H]1C[NH+](C)C ZINC000923760963 658466041 /nfs/dbraw/zinc/46/60/41/658466041.db2.gz PENUCMXPRJNOQM-ZIAGYGMSSA-N 2 0 296.415 -0.637 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)[C@@H]2C)CC1 ZINC000987569820 659511906 /nfs/dbraw/zinc/51/19/06/659511906.db2.gz IRNXGWHBGKBVQS-ZFWWWQNUSA-N 2 0 293.411 -0.097 20 30 CBEDRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])NCCOC ZINC000176492024 790419934 /nfs/dbraw/zinc/41/99/34/790419934.db2.gz VAQBHUZCFFQZGF-NSHDSACASA-N 2 0 260.382 -0.106 20 30 CBEDRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])NCCOC ZINC000176492036 790418140 /nfs/dbraw/zinc/41/81/40/790418140.db2.gz VAQBHUZCFFQZGF-LLVKDONJSA-N 2 0 260.382 -0.106 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001022121607 790991636 /nfs/dbraw/zinc/99/16/36/790991636.db2.gz GTZASFHZCATQBJ-XJFOESAGSA-N 2 0 277.368 -0.280 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900123 814925019 /nfs/dbraw/zinc/92/50/19/814925019.db2.gz HZVPPUNUYJRHGJ-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001077675389 805767747 /nfs/dbraw/zinc/76/77/47/805767747.db2.gz LYLGSYPRSALFTN-MGPQQGTHSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078005572 805819303 /nfs/dbraw/zinc/81/93/03/805819303.db2.gz FRQPJSYYPNDIIH-BFHYXJOUSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078174135 805848173 /nfs/dbraw/zinc/84/81/73/805848173.db2.gz CFNYNXCVDNUCKS-YNEHKIRRSA-N 2 0 265.357 -0.877 20 30 CBEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001078175563 805848911 /nfs/dbraw/zinc/84/89/11/805848911.db2.gz BDJJFTIIYPIQJA-YNEHKIRRSA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@H](C)O)C2)CC1 ZINC001023128178 798885718 /nfs/dbraw/zinc/88/57/18/798885718.db2.gz SOLKOPBHYDMLFD-AEGPPILISA-N 2 0 293.411 -0.051 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025797884 798977072 /nfs/dbraw/zinc/97/70/72/798977072.db2.gz YXSYBELVTCWJLW-MRLBHPIUSA-N 2 0 289.379 -0.471 20 30 CBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001026045276 798988283 /nfs/dbraw/zinc/98/82/83/798988283.db2.gz XSTOZCQVQVOQGZ-BJJPWKGXSA-N 2 0 261.369 -0.136 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CCO)C2)CC1 ZINC001033684617 799780128 /nfs/dbraw/zinc/78/01/28/799780128.db2.gz PBHCKNOVRCCYMD-OAHLLOKOSA-N 2 0 293.411 -0.143 20 30 CBEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001047528507 801895231 /nfs/dbraw/zinc/89/52/31/801895231.db2.gz SGVNWGVTOYYCNJ-ILXRZTDVSA-N 2 0 293.411 -0.003 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC001047611927 801912359 /nfs/dbraw/zinc/91/23/59/801912359.db2.gz LVCURRXLFFFJND-KBPBESRZSA-N 2 0 290.367 -0.213 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+](C)C ZINC001133291505 814237198 /nfs/dbraw/zinc/23/71/98/814237198.db2.gz SLPWGQLFEAORLK-LLVKDONJSA-N 2 0 270.377 -0.665 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834109 814304148 /nfs/dbraw/zinc/30/41/48/814304148.db2.gz OFJKCFXRCPFGTF-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834177 814305872 /nfs/dbraw/zinc/30/58/72/814305872.db2.gz PWLIHWUMYBLUMP-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001321969751 803845968 /nfs/dbraw/zinc/84/59/68/803845968.db2.gz YKJHHEQFGYCAKQ-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001323613395 804050407 /nfs/dbraw/zinc/05/04/07/804050407.db2.gz FAFIROFPIHKHNW-LBPRGKRZSA-N 2 0 294.399 -0.521 20 30 CBEDRP C#CCN1CCC[C@@](CO)(NC(=O)C[N@@H+](C)CCC)C1 ZINC001325865082 804326551 /nfs/dbraw/zinc/32/65/51/804326551.db2.gz LDCHKWYUZPDAQX-OAHLLOKOSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151066152 815057877 /nfs/dbraw/zinc/05/78/77/815057877.db2.gz RBHHBUFFQUOUDH-LBPRGKRZSA-N 2 0 255.362 -0.154 20 30 CBEDRP N#CCCN1CCN(C(=O)[C@@H]([NH3+])CCCC[NH3+])CC1 ZINC001160484396 815628154 /nfs/dbraw/zinc/62/81/54/815628154.db2.gz XNFLGILJEYGHQS-LBPRGKRZSA-N 2 0 267.377 -0.499 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001152145902 815108279 /nfs/dbraw/zinc/10/82/79/815108279.db2.gz FYCMDKNMVGSJQY-BETUJISGSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224095 815110995 /nfs/dbraw/zinc/11/09/95/815110995.db2.gz RNZPTXPQAPFZRC-UHFFFAOYSA-N 2 0 294.399 -0.682 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](O)COC)CC1 ZINC001152323871 815114947 /nfs/dbraw/zinc/11/49/47/815114947.db2.gz FPTJWOKKALILND-CQSZACIVSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@@H](C)O)CC1 ZINC001152324353 815115303 /nfs/dbraw/zinc/11/53/03/815115303.db2.gz RRHJAOANONLTFE-GFCCVEGCSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CC(=O)NCC)CC1 ZINC001152334702 815115521 /nfs/dbraw/zinc/11/55/21/815115521.db2.gz PBCPGFBNFGAJID-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340732 815116176 /nfs/dbraw/zinc/11/61/76/815116176.db2.gz WPPPSGZBGPLESP-UHFFFAOYSA-N 2 0 296.415 -0.130 20 30 CBEDRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152445635 815123106 /nfs/dbraw/zinc/12/31/06/815123106.db2.gz LDHSLJMSJXVABM-LBPRGKRZSA-N 2 0 295.387 -0.794 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090537792 810520102 /nfs/dbraw/zinc/52/01/02/810520102.db2.gz NZIZTEDBTOQFRR-GJZGRUSLSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099974120 810981322 /nfs/dbraw/zinc/98/13/22/810981322.db2.gz NNMGBFZOCUXLIP-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@H](O)C1 ZINC001099986291 810983738 /nfs/dbraw/zinc/98/37/38/810983738.db2.gz IROHSXLUILOTCN-VXGBXAGGSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048792 811004178 /nfs/dbraw/zinc/00/41/78/811004178.db2.gz RCHKPLAWJMHTGQ-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074719 811014485 /nfs/dbraw/zinc/01/44/85/811014485.db2.gz RHPDTLAVOSZIRF-KBPBESRZSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076001 811014802 /nfs/dbraw/zinc/01/48/02/811014802.db2.gz DNOWUZMYHJIMCC-KBPBESRZSA-N 2 0 297.399 -0.861 20 30 CBEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073760 811015368 /nfs/dbraw/zinc/01/53/68/811015368.db2.gz GQMUDJSQADQOHW-UONOGXRCSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082577 811016458 /nfs/dbraw/zinc/01/64/58/811016458.db2.gz FCKLILQVJXBDHT-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131403 811024285 /nfs/dbraw/zinc/02/42/85/811024285.db2.gz CMTXWSQJGROTHK-KBPBESRZSA-N 2 0 281.400 -0.099 20 30 CBEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100131405 811025401 /nfs/dbraw/zinc/02/54/01/811025401.db2.gz CMTXWSQJGROTHK-UONOGXRCSA-N 2 0 281.400 -0.099 20 30 CBEDRP CC(C)C[C@H](NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)NO ZINC001157304537 815421914 /nfs/dbraw/zinc/42/19/14/815421914.db2.gz ZMKUPBQNQKMMEK-WDEREUQCSA-N 2 0 286.376 -0.650 20 30 CBEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511110 811158974 /nfs/dbraw/zinc/15/89/74/811158974.db2.gz JRTYNGOMGWJXTQ-ZIAGYGMSSA-N 2 0 281.400 -0.118 20 30 CBEDRP N#C[C@@H]1CNCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157983262 815493947 /nfs/dbraw/zinc/49/39/47/815493947.db2.gz ZWASHNAMNVPJMO-VXGBXAGGSA-N 2 0 277.372 -0.815 20 30 CBEDRP N#C[C@H]1CNCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157983261 815494220 /nfs/dbraw/zinc/49/42/20/815494220.db2.gz ZWASHNAMNVPJMO-RYUDHWBXSA-N 2 0 277.372 -0.815 20 30 CBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115241185 812185904 /nfs/dbraw/zinc/18/59/04/812185904.db2.gz DENJHYFLVNMWQR-FOLVSLTJSA-N 2 0 291.395 -0.222 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1Cc2ncnn2C2(CC[NH2+]CC2)C1 ZINC001158277906 815518056 /nfs/dbraw/zinc/51/80/56/815518056.db2.gz WYMVZSWMCHYSTA-ZDUSSCGKSA-N 2 0 288.355 -0.950 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158379668 815522883 /nfs/dbraw/zinc/52/28/83/815522883.db2.gz FBXSSORKBLHXSO-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576818 815539705 /nfs/dbraw/zinc/53/97/05/815539705.db2.gz DWIVBLUYZTUUTC-UMNHJUIQSA-N 2 0 253.321 -0.128 20 30 CBEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001120479889 812972692 /nfs/dbraw/zinc/97/26/92/812972692.db2.gz CWLIXDFURHFJJI-OAHLLOKOSA-N 2 0 297.447 -0.580 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C2(C[NH3+])CC(O)C2)CC1 ZINC001121998120 813103235 /nfs/dbraw/zinc/10/32/35/813103235.db2.gz QFARKWSKTOYVKZ-UHFFFAOYSA-N 2 0 267.373 -0.147 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@](O)(C[NH+](C)C)C1 ZINC001123861365 813281795 /nfs/dbraw/zinc/28/17/95/813281795.db2.gz XMJMKRCCLDYXIK-ZDUSSCGKSA-N 2 0 255.362 -0.371 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127637875 813738890 /nfs/dbraw/zinc/73/88/90/813738890.db2.gz AWAFBWUDOQICGP-CHWSQXEVSA-N 2 0 267.373 -0.318 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001128773855 813797545 /nfs/dbraw/zinc/79/75/45/813797545.db2.gz GOPUXMMWXHTWGG-ZDUSSCGKSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129363003 813838680 /nfs/dbraw/zinc/83/86/80/813838680.db2.gz DFORCKSKXYTTGW-LBPRGKRZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129435827 813842662 /nfs/dbraw/zinc/84/26/62/813842662.db2.gz JQOUUMXFBOCVRS-CYBMUJFWSA-N 2 0 282.388 -0.665 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001129450204 813845600 /nfs/dbraw/zinc/84/56/00/813845600.db2.gz XRQNHUWIGNMYKZ-AAEUAGOBSA-N 2 0 296.415 -0.277 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129842314 813871949 /nfs/dbraw/zinc/87/19/49/813871949.db2.gz WDLQYYUSCYHUMP-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286007 814235293 /nfs/dbraw/zinc/23/52/93/814235293.db2.gz SEFYKUYRBZSLGB-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001135371834 814470245 /nfs/dbraw/zinc/47/02/45/814470245.db2.gz JLZZMTCKUCWOPT-CHWSQXEVSA-N 2 0 296.415 -0.440 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135507902 814478801 /nfs/dbraw/zinc/47/88/01/814478801.db2.gz BBZALRGTYPLUJU-UHFFFAOYSA-N 2 0 270.377 -0.664 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)[C@@H]1CCC[C@H]1O ZINC001160104798 815610675 /nfs/dbraw/zinc/61/06/75/815610675.db2.gz URFHOOXZJOIATJ-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135706843 814513083 /nfs/dbraw/zinc/51/30/83/814513083.db2.gz IDQYGMAGWSVLQK-UHFFFAOYSA-N 2 0 296.415 -0.274 20 30 CBEDRP N#Cc1c(N[C@H]2C[NH2+]C[C@H]2CO)ncc2c1CCC[NH2+]C2 ZINC001159672136 815584841 /nfs/dbraw/zinc/58/48/41/815584841.db2.gz NFPCHVQMOWPFQO-FZMZJTMJSA-N 2 0 287.367 -0.019 20 30 CBEDRP N#C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160635851 815646771 /nfs/dbraw/zinc/64/67/71/815646771.db2.gz DXFMACAGJPJDCW-STQMWFEESA-N 2 0 279.388 -0.359 20 30 CBEDRP N#C[C@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCO1 ZINC001160880523 815684068 /nfs/dbraw/zinc/68/40/68/815684068.db2.gz YMNSVFWKNYZOJV-NWDGAFQWSA-N 2 0 278.356 -0.388 20 30 CBEDRP N#C[C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160879917 815684331 /nfs/dbraw/zinc/68/43/31/815684331.db2.gz VLEMACVFKIWIKA-WDEREUQCSA-N 2 0 254.334 -0.416 20 30 CBEDRP N#C[C@@H]1CN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160879635 815684392 /nfs/dbraw/zinc/68/43/92/815684392.db2.gz RTGVJTJIOKKKTK-MNOVXSKESA-N 2 0 252.318 -0.936 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883689 815685390 /nfs/dbraw/zinc/68/53/90/815685390.db2.gz UDFKRELYEPNXHI-GFCCVEGCSA-N 2 0 284.404 -0.275 20 30 CBEDRP C=CC[N@@H+](C)CCN(CC)c1nc(N)[nH+]c(N)n1 ZINC001307152589 816797116 /nfs/dbraw/zinc/79/71/16/816797116.db2.gz GHTFPFCARUQLNB-UHFFFAOYSA-N 2 0 251.338 -0.020 20 30 CBEDRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC#CC[NH+](C)C)C1 ZINC001312080177 816849395 /nfs/dbraw/zinc/84/93/95/816849395.db2.gz VPERNBQXYCWCIQ-CYBMUJFWSA-N 2 0 282.388 -0.429 20 30 CBEDRP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001317277818 816956375 /nfs/dbraw/zinc/95/63/75/816956375.db2.gz AGAMHLBDQNISQX-DGCLKSJQSA-N 2 0 297.403 -0.693 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317281579 816958023 /nfs/dbraw/zinc/95/80/23/816958023.db2.gz DSDJVSSYYDDUJZ-CHWSQXEVSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001320264050 817308917 /nfs/dbraw/zinc/30/89/17/817308917.db2.gz QCUGCOLNDRWGDC-KGLIPLIRSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165254267 819944630 /nfs/dbraw/zinc/94/46/30/819944630.db2.gz OJXNXXKBMPRKRF-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001181653286 820807224 /nfs/dbraw/zinc/80/72/24/820807224.db2.gz WOMKPGYNNJTFBC-CHWSQXEVSA-N 2 0 292.383 -0.980 20 30 CBEDRP CC[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001183580933 821006891 /nfs/dbraw/zinc/00/68/91/821006891.db2.gz ADRZESKUNHAMDQ-VXGBXAGGSA-N 2 0 295.387 -0.843 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001185707073 821139843 /nfs/dbraw/zinc/13/98/43/821139843.db2.gz WKCSTZVWCABLIP-OLZOCXBDSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001186459032 821183543 /nfs/dbraw/zinc/18/35/43/821183543.db2.gz SXDDAHKENRJFMV-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CCO1 ZINC001280681651 828370893 /nfs/dbraw/zinc/37/08/93/828370893.db2.gz KIVNDDDGGZPHIA-ZDUSSCGKSA-N 2 0 267.373 -0.223 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001281162154 828406121 /nfs/dbraw/zinc/40/61/21/828406121.db2.gz DYIJXDRCQGVYNB-DZGCQCFKSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187283915 822263789 /nfs/dbraw/zinc/26/37/89/822263789.db2.gz DZUYFTAMDBTWTQ-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001281636979 828421748 /nfs/dbraw/zinc/42/17/48/828421748.db2.gz QBEKZWIFSCXKGC-AWEZNQCLSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001283798026 828548954 /nfs/dbraw/zinc/54/89/54/828548954.db2.gz UHZVGKHKIRGIAC-LLVKDONJSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283805110 828550568 /nfs/dbraw/zinc/55/05/68/828550568.db2.gz QIBQITYNTUBUGB-SWLSCSKDSA-N 2 0 299.390 -0.101 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283805109 828550711 /nfs/dbraw/zinc/55/07/11/828550711.db2.gz QIBQITYNTUBUGB-IUODEOHRSA-N 2 0 299.390 -0.101 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001283804230 828550745 /nfs/dbraw/zinc/55/07/45/828550745.db2.gz NMXQSSJSNNRMCY-ZDUSSCGKSA-N 2 0 267.373 -0.582 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)CCC ZINC001283823711 828553402 /nfs/dbraw/zinc/55/34/02/828553402.db2.gz JEQGDCUWFGOGAG-LBPRGKRZSA-N 2 0 255.362 -0.582 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001284446056 828596718 /nfs/dbraw/zinc/59/67/18/828596718.db2.gz ZUJBKUUJYUHBIE-QWHCGFSZSA-N 2 0 269.389 -0.385 20 30 CBEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CCC[NH+](C)C ZINC001284509700 828606276 /nfs/dbraw/zinc/60/62/76/828606276.db2.gz OWZXKQDTOVYYHF-CYBMUJFWSA-N 2 0 269.389 -0.288 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200114343 824307061 /nfs/dbraw/zinc/30/70/61/824307061.db2.gz CPTIOULLDQLWKJ-KBPBESRZSA-N 2 0 279.384 -0.079 20 30 CBEDRP C[NH+](C)CCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202315915 824346631 /nfs/dbraw/zinc/34/66/31/824346631.db2.gz JBANLDVFVOXFND-UHFFFAOYSA-N 2 0 295.387 -0.842 20 30 CBEDRP N#Cc1ccnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218503254 824572294 /nfs/dbraw/zinc/57/22/94/824572294.db2.gz DQLREWZXQCHKJH-SNVBAGLBSA-N 2 0 257.297 -0.299 20 30 CBEDRP N#Cc1ccnc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1 ZINC001218503253 824572386 /nfs/dbraw/zinc/57/23/86/824572386.db2.gz DQLREWZXQCHKJH-JTQLQIEISA-N 2 0 257.297 -0.299 20 30 CBEDRP Cc1noc(NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)c1C#N ZINC001218503492 824573702 /nfs/dbraw/zinc/57/37/02/824573702.db2.gz NVELFYIUOPJRMF-VIFPVBQESA-N 2 0 261.285 -0.398 20 30 CBEDRP N#Cc1cnc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)cn1 ZINC001218504254 824573767 /nfs/dbraw/zinc/57/37/67/824573767.db2.gz NFWGQXDLERCYSQ-LLVKDONJSA-N 2 0 289.343 -0.963 20 30 CBEDRP N#Cc1ccnc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1 ZINC001218503522 824574123 /nfs/dbraw/zinc/57/41/23/824574123.db2.gz BLFRDFFPEDSXIZ-LBPRGKRZSA-N 2 0 288.355 -0.358 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@]1(N)CC[NH2+]C1)C[NH2+]CC2 ZINC001218552467 824589930 /nfs/dbraw/zinc/58/99/30/824589930.db2.gz GNOAYQSTRYHPFD-ZDUSSCGKSA-N 2 0 291.380 -0.105 20 30 CBEDRP N#Cc1c(NC(=O)C[C@@H](O)C[NH3+])sc2c1CC[NH2+]C2 ZINC001218554883 824590694 /nfs/dbraw/zinc/59/06/94/824590694.db2.gz XBUWTIVYTLXETM-SSDOTTSWSA-N 2 0 280.353 -0.086 20 30 CBEDRP Cc1nc(C#N)c(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)o1 ZINC001218649979 824616203 /nfs/dbraw/zinc/61/62/03/824616203.db2.gz OZTKAZNINCFHJZ-NOZJJQNGSA-N 2 0 275.312 -0.008 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)c(C#C)n1 ZINC001218657309 824617326 /nfs/dbraw/zinc/61/73/26/824617326.db2.gz IJVOQWVXBANSED-LLVKDONJSA-N 2 0 281.319 -0.813 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001218700031 824623042 /nfs/dbraw/zinc/62/30/42/824623042.db2.gz BHUCVSNXDLSGSH-SNVBAGLBSA-N 2 0 260.301 -0.386 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218701735 824625249 /nfs/dbraw/zinc/62/52/49/824625249.db2.gz YHZVMWCQNXVLPO-NSHDSACASA-N 2 0 289.343 -0.963 20 30 CBEDRP C#CCN1C[C@H]2OCCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C1 ZINC001219052143 824653709 /nfs/dbraw/zinc/65/37/09/824653709.db2.gz HYGLCVNFIDRQKD-UONOGXRCSA-N 2 0 279.384 -0.129 20 30 CBEDRP N#CC1(CNC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CCC1 ZINC001219632824 824864964 /nfs/dbraw/zinc/86/49/64/824864964.db2.gz QUOUUGTYUVPSJI-LBPRGKRZSA-N 2 0 279.388 -0.453 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NCC[C@H]1CCOC12C[NH2+]C2 ZINC001219801158 824894885 /nfs/dbraw/zinc/89/48/85/824894885.db2.gz UNWJZQZIJTZZPV-JQWIXIFHSA-N 2 0 251.330 -0.778 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219903222 824912293 /nfs/dbraw/zinc/91/22/93/824912293.db2.gz VOYPSCQITMWMFC-OLZOCXBDSA-N 2 0 281.400 -0.099 20 30 CBEDRP COC(=O)[C@H](CS)NC(=O)[C@@H]([NH3+])CCCC[NH+](C)C ZINC001220035361 824940371 /nfs/dbraw/zinc/94/03/71/824940371.db2.gz CGOUMIYIVYVMPB-UWVGGRQHSA-N 2 0 291.417 -0.367 20 30 CBEDRP N#C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220097330 824954252 /nfs/dbraw/zinc/95/42/52/824954252.db2.gz UYDVFBQYIHNXIU-UBHSHLNASA-N 2 0 293.415 -0.065 20 30 CBEDRP C=C[C@@H](CO)NC(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220392616 825028619 /nfs/dbraw/zinc/02/86/19/825028619.db2.gz IUEZEZXIAWHTFJ-WDEREUQCSA-N 2 0 253.346 -0.476 20 30 CBEDRP C=C[C@@H](CO)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220392615 825028778 /nfs/dbraw/zinc/02/87/78/825028778.db2.gz IUEZEZXIAWHTFJ-QWRGUYRKSA-N 2 0 253.346 -0.476 20 30 CBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220571629 825067028 /nfs/dbraw/zinc/06/70/28/825067028.db2.gz WHBRNEGZJNSOHK-HFAKWTLXSA-N 2 0 293.367 -0.581 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220582775 825071377 /nfs/dbraw/zinc/07/13/77/825071377.db2.gz DDFFHQBBBOGVTK-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP N=C(NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccc(C(N)=O)cc1 ZINC001220643359 825080462 /nfs/dbraw/zinc/08/04/62/825080462.db2.gz BSTGOTNNOGQWBM-SNVBAGLBSA-N 2 0 277.328 -0.916 20 30 CBEDRP C=CCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220683202 825084305 /nfs/dbraw/zinc/08/43/05/825084305.db2.gz MXORIMVCJGDCEG-NEPJUHHUSA-N 2 0 255.362 -0.325 20 30 CBEDRP CC(C)C[C@H](C#N)NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220701293 825087759 /nfs/dbraw/zinc/08/77/59/825087759.db2.gz ZKRNYVGXNXMZBR-MNOVXSKESA-N 2 0 250.346 -0.150 20 30 CBEDRP CC#CCN1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220816929 825105655 /nfs/dbraw/zinc/10/56/55/825105655.db2.gz HSZBMDZCLQQXFD-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220829227 825108550 /nfs/dbraw/zinc/10/85/50/825108550.db2.gz ORPLVYWZWLEREG-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC001220868719 825116897 /nfs/dbraw/zinc/11/68/97/825116897.db2.gz PYXFETHLWQAZFJ-SRVKXCTJSA-N 2 0 253.346 -0.524 20 30 CBEDRP N#Cc1cnc(CNC(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)s1 ZINC001220872269 825117415 /nfs/dbraw/zinc/11/74/15/825117415.db2.gz RETCFSXAQORWTQ-SECBINFHSA-N 2 0 277.353 -0.560 20 30 CBEDRP N#Cc1ccc(CNC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)cn1 ZINC001221089632 825144065 /nfs/dbraw/zinc/14/40/65/825144065.db2.gz UMIRVJKPWDXKDL-ZDUSSCGKSA-N 2 0 273.340 -0.104 20 30 CBEDRP C=CCn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cn1 ZINC001235871065 825516246 /nfs/dbraw/zinc/51/62/46/825516246.db2.gz PHRRDMPZHCURAY-UHFFFAOYSA-N 2 0 292.431 -0.347 20 30 CBEDRP N#CCS(=O)(=O)NC[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001238242762 825551135 /nfs/dbraw/zinc/55/11/35/825551135.db2.gz QTJOOJMLTARKGJ-SNVBAGLBSA-N 2 0 272.374 -0.696 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+]C[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001245974823 825616569 /nfs/dbraw/zinc/61/65/69/825616569.db2.gz OBJDSLLBMQYRIF-GRYCIOLGSA-N 2 0 262.325 -0.798 20 30 CBEDRP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028092 825626135 /nfs/dbraw/zinc/62/61/35/825626135.db2.gz ZUZCCXFNIWBUMN-STQMWFEESA-N 2 0 256.346 -0.827 20 30 CBEDRP NC(=O)c1ccc(C(=[NH2+])N[C@H]2CCNC3(C[NH2+]C3)C2)cc1 ZINC001246313310 825662956 /nfs/dbraw/zinc/66/29/56/825662956.db2.gz CHTMTXDCSMUIIM-LBPRGKRZSA-N 2 0 287.367 -0.415 20 30 CBEDRP C[NH+]1CCC(C#N)(N[C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246442108 825672872 /nfs/dbraw/zinc/67/28/72/825672872.db2.gz HPFDJAJOKUTYRS-GFCCVEGCSA-N 2 0 263.389 -0.342 20 30 CBEDRP CC(C)C[C@H]([NH2+][C@H]1CCNC2(C[NH2+]C2)C1)C(=O)NO ZINC001246514981 825679016 /nfs/dbraw/zinc/67/90/16/825679016.db2.gz BUTCSFBFZXGMCO-QWRGUYRKSA-N 2 0 270.377 -0.410 20 30 CBEDRP C=CCN1CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246774004 825709794 /nfs/dbraw/zinc/70/97/94/825709794.db2.gz DVCSOMHIWDVYIS-ZDUSSCGKSA-N 2 0 250.390 -0.116 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC001251707745 825786167 /nfs/dbraw/zinc/78/61/67/825786167.db2.gz FEBSKFUIOVMPRI-AWEZNQCLSA-N 2 0 296.415 -0.303 20 30 CBEDRP C#CCOC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC001251847216 825794191 /nfs/dbraw/zinc/79/41/91/825794191.db2.gz BIXSSYQRMDCAQC-INIZCTEOSA-N 2 0 295.427 -0.291 20 30 CBEDRP C#CCOC[C@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001251851244 825795888 /nfs/dbraw/zinc/79/58/88/825795888.db2.gz HDPQKQAKRKMPDL-OAHLLOKOSA-N 2 0 283.416 -0.434 20 30 CBEDRP N#C[C@H]1CC[C@@H]([NH2+]CCN(CC[NH3+])N(O)N=O)C1 ZINC001254650043 825967496 /nfs/dbraw/zinc/96/74/96/825967496.db2.gz SHZHAHZBEDLTBL-VHSXEESVSA-N 2 0 256.310 -0.183 20 30 CBEDRP C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC001262034762 826626594 /nfs/dbraw/zinc/62/65/94/826626594.db2.gz MXPWEGBMVQBMGS-CBKZZEEASA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CC[NH2+]CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC001263178232 826749345 /nfs/dbraw/zinc/74/93/45/826749345.db2.gz GXHZYOQNGQIUQH-IUCAKERBSA-N 2 0 263.263 -0.195 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1NC(=O)C[C@@]12CC[NH2+]C2 ZINC001263173605 826749591 /nfs/dbraw/zinc/74/95/91/826749591.db2.gz FUYXYCYOOIVMBE-GXFFZTMASA-N 2 0 266.345 -0.334 20 30 CBEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001265240199 826861525 /nfs/dbraw/zinc/86/15/25/826861525.db2.gz JNLFYACOVSZLDT-OAHLLOKOSA-N 2 0 292.427 -0.162 20 30 CBEDRP C#CCN1CC[NH+](CCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001266277651 826970524 /nfs/dbraw/zinc/97/05/24/826970524.db2.gz KWOCEZUMZWUWFL-HNNXBMFYSA-N 2 0 292.427 -0.305 20 30 CBEDRP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001266944629 827092798 /nfs/dbraw/zinc/09/27/98/827092798.db2.gz NHZOABUSFBRZJE-LLVKDONJSA-N 2 0 295.387 -0.795 20 30 CBEDRP CC[N@H+](C)CCC(=O)N[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001269078875 827461374 /nfs/dbraw/zinc/46/13/74/827461374.db2.gz WYKNRLGLOFQWFD-LBPRGKRZSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CC[NH2+]C1(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001269540995 827517434 /nfs/dbraw/zinc/51/74/34/827517434.db2.gz UCHPSJYJKKLVDT-GFCCVEGCSA-N 2 0 265.357 -0.421 20 30 CBEDRP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001271170248 827671788 /nfs/dbraw/zinc/67/17/88/827671788.db2.gz JGZNTRDXOZJIMY-NEPJUHHUSA-N 2 0 297.403 -0.597 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001271191680 827675063 /nfs/dbraw/zinc/67/50/63/827675063.db2.gz GKCGSWKTQMRPJK-ZBFHGGJFSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001271218881 827677333 /nfs/dbraw/zinc/67/73/33/827677333.db2.gz DNXHCDWWVBVTEM-OCCSQVGLSA-N 2 0 265.357 -0.876 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001272434223 827795696 /nfs/dbraw/zinc/79/56/96/827795696.db2.gz CMJZLRIRVACBIJ-LBPRGKRZSA-N 2 0 253.346 -0.829 20 30 CBEDRP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC001273244373 827877042 /nfs/dbraw/zinc/87/70/42/827877042.db2.gz PZBQWKOQVNNQPT-KGLIPLIRSA-N 2 0 295.383 -0.843 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC001274571503 828002921 /nfs/dbraw/zinc/00/29/21/828002921.db2.gz CNXDLPXVGPETLC-UHFFFAOYSA-N 2 0 281.400 -0.096 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001274787322 828030823 /nfs/dbraw/zinc/03/08/23/828030823.db2.gz JERWNNCEOVXVBV-LLVKDONJSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274888418 828038826 /nfs/dbraw/zinc/03/88/26/828038826.db2.gz LYFRFRFIASJABN-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001275802405 828116179 /nfs/dbraw/zinc/11/61/79/828116179.db2.gz ZZTXJVWSBXGLAC-NEPJUHHUSA-N 2 0 253.346 -0.613 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001278736942 828278119 /nfs/dbraw/zinc/27/81/19/828278119.db2.gz DQERIBIAUARWPT-VXGBXAGGSA-N 2 0 255.362 -0.325 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329202504 885965703 /nfs/dbraw/zinc/96/57/03/885965703.db2.gz KYRJKTFYPPETET-RYUDHWBXSA-N 2 0 297.403 -0.551 20 30 CBEDRP CN(CCC[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333632011 887725687 /nfs/dbraw/zinc/72/56/87/887725687.db2.gz VVYGCASPNKFUPX-AKJDGMEZSA-N 2 0 250.346 -0.067 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC001341098338 889541171 /nfs/dbraw/zinc/54/11/71/889541171.db2.gz RRGQOTFFMNKKAE-DZGCQCFKSA-N 2 0 279.384 -0.046 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001343453478 889913237 /nfs/dbraw/zinc/91/32/37/889913237.db2.gz OCJCCCFDRSSDEG-CQSZACIVSA-N 2 0 280.416 -0.401 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCN1CC[NH+](CC)CC1 ZINC001464896932 915025663 /nfs/dbraw/zinc/02/56/63/915025663.db2.gz XYUGCWFWEBYYKA-UHFFFAOYSA-N 2 0 268.405 -0.142 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001188145759 884720346 /nfs/dbraw/zinc/72/03/46/884720346.db2.gz NNJLLGICABPMQR-CYBMUJFWSA-N 2 0 296.415 -0.181 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@@H+]1C ZINC001326070635 884896364 /nfs/dbraw/zinc/89/63/64/884896364.db2.gz RDZIORGWECQFFO-CYBMUJFWSA-N 2 0 267.373 -0.486 20 30 CBEDRP C#CCC[NH2+]CCN(CCO)C(=O)C1CC[NH+](C)CC1 ZINC001326086859 884902009 /nfs/dbraw/zinc/90/20/09/884902009.db2.gz VHBRCPWFIWXRPB-UHFFFAOYSA-N 2 0 281.400 -0.238 20 30 CBEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC001327131437 885268639 /nfs/dbraw/zinc/26/86/39/885268639.db2.gz RHDOEUFFDCWYBG-TUAOUCFPSA-N 2 0 268.361 -0.028 20 30 CBEDRP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001327620602 885432289 /nfs/dbraw/zinc/43/22/89/885432289.db2.gz CTJBAVIKZIZTMB-ZDUSSCGKSA-N 2 0 279.384 -0.031 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC001327857072 885503875 /nfs/dbraw/zinc/50/38/75/885503875.db2.gz RJBXXHVVDJJAME-WDEREUQCSA-N 2 0 254.334 -0.498 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC001328220627 885606498 /nfs/dbraw/zinc/60/64/98/885606498.db2.gz NQJIRVHSUZBTCB-SECBINFHSA-N 2 0 292.347 -0.826 20 30 CBEDRP CC#CC[NH+]1CCC(CO)(NC(=O)CC[NH+](C)C)CC1 ZINC001328540950 885722054 /nfs/dbraw/zinc/72/20/54/885722054.db2.gz CFHDHIKBJJZXMY-UHFFFAOYSA-N 2 0 281.400 -0.096 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C[NH3+])C1 ZINC001329098664 885926138 /nfs/dbraw/zinc/92/61/38/885926138.db2.gz BHMAYRJCGQRDJO-GHMZBOCLSA-N 2 0 254.334 -0.416 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331712425 886926928 /nfs/dbraw/zinc/92/69/28/886926928.db2.gz OIYBTYNMJJXUDT-FRRDWIJNSA-N 2 0 267.373 -0.583 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001331738743 886946344 /nfs/dbraw/zinc/94/63/44/886946344.db2.gz IJKCGROOHQBMDS-NWDGAFQWSA-N 2 0 255.362 -0.583 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC001331806031 886991741 /nfs/dbraw/zinc/99/17/41/886991741.db2.gz SWKVXNUFJUOFFD-CYBMUJFWSA-N 2 0 299.334 -0.419 20 30 CBEDRP CC[C@H]([NH3+])CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331971237 887071122 /nfs/dbraw/zinc/07/11/22/887071122.db2.gz ZLBBVJKIBAFWRH-ZUXSNHBTSA-N 2 0 250.346 -0.021 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[NH2+]C1)C2 ZINC001333630740 887725003 /nfs/dbraw/zinc/72/50/03/887725003.db2.gz JTZJCEGUHMJHFM-CBKZZEEASA-N 2 0 262.357 -0.006 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001340267594 889417884 /nfs/dbraw/zinc/41/78/84/889417884.db2.gz UHJRWYGPNXYKND-ZYHUDNBSSA-N 2 0 262.357 -0.006 20 30 CBEDRP C[NH2+]C[C@@H](O)CN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC001341493372 889607638 /nfs/dbraw/zinc/60/76/38/889607638.db2.gz QHEVYFMKKBAFDD-GFCCVEGCSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CC[NH2+]CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC001342374938 889764617 /nfs/dbraw/zinc/76/46/17/889764617.db2.gz RLTDYFISZZDRLX-UHFFFAOYSA-N 2 0 298.350 -0.435 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC001346492386 890304019 /nfs/dbraw/zinc/30/40/19/890304019.db2.gz ISKAFDDNNLFDQK-RYUDHWBXSA-N 2 0 268.361 -0.026 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC001346492368 890305183 /nfs/dbraw/zinc/30/51/83/890305183.db2.gz ISKAFDDNNLFDQK-NEPJUHHUSA-N 2 0 268.361 -0.026 20 30 CBEDRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC001349386140 890806044 /nfs/dbraw/zinc/80/60/44/890806044.db2.gz JVNMYOUOFKMLJD-GFCCVEGCSA-N 2 0 267.377 -0.629 20 30 CBEDRP C#C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC001350433196 890984299 /nfs/dbraw/zinc/98/42/99/890984299.db2.gz KJPAVPZPXMIDDU-JKSUJKDBSA-N 2 0 295.427 -0.387 20 30 CBEDRP C=C(CO)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001352019232 891213662 /nfs/dbraw/zinc/21/36/62/891213662.db2.gz CJXARULONLJHTJ-CHWSQXEVSA-N 2 0 269.389 -0.267 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC001354571146 891596960 /nfs/dbraw/zinc/59/69/60/891596960.db2.gz UOEMRZNDMZEOBI-LBPRGKRZSA-N 2 0 265.357 -0.516 20 30 CBEDRP C[NH+]1CCC(OCC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC001357446658 891895566 /nfs/dbraw/zinc/89/55/66/891895566.db2.gz UBTYNYOBYSEELY-PWSUYJOCSA-N 2 0 266.345 -0.675 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC001357999011 891956613 /nfs/dbraw/zinc/95/66/13/891956613.db2.gz FAGIYARFZMXTGY-UHFFFAOYSA-N 2 0 253.346 -0.516 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001379281737 898534354 /nfs/dbraw/zinc/53/43/54/898534354.db2.gz FGNVYBXOETUJMP-GHMZBOCLSA-N 2 0 275.780 -0.243 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001502600405 921371354 /nfs/dbraw/zinc/37/13/54/921371354.db2.gz UVWGTZYFCAWPEY-UKRRQHHQSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001502600404 921371426 /nfs/dbraw/zinc/37/14/26/921371426.db2.gz UVWGTZYFCAWPEY-HIFRSBDPSA-N 2 0 279.384 -0.486 20 30 CBEDRP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063599 921666623 /nfs/dbraw/zinc/66/66/23/921666623.db2.gz RUDJUMJSGOHKIL-NEPJUHHUSA-N 2 0 295.387 -0.843 20 30 CBEDRP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001507122596 921685510 /nfs/dbraw/zinc/68/55/10/921685510.db2.gz GLJNJGKBGROLNF-RYUDHWBXSA-N 2 0 297.403 -0.597 20 30 CBEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001507182162 921718681 /nfs/dbraw/zinc/71/86/81/921718681.db2.gz HJBFXWKNHLLHET-VXGBXAGGSA-N 2 0 255.362 -0.277 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001507200135 921735138 /nfs/dbraw/zinc/73/51/38/921735138.db2.gz DOMSBOVYIVBHSP-RYUDHWBXSA-N 2 0 255.362 -0.277 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507232358 921763936 /nfs/dbraw/zinc/76/39/36/921763936.db2.gz KJAKPHYEKGFTPV-QWHCGFSZSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001507249908 921782417 /nfs/dbraw/zinc/78/24/17/921782417.db2.gz XEPNDVLIPOJEIW-CQSZACIVSA-N 2 0 281.400 -0.193 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC001471628710 915602472 /nfs/dbraw/zinc/60/24/72/915602472.db2.gz BWFWQUHRCJAQEI-UHFFFAOYSA-N 2 0 282.388 -0.693 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001507263636 921791082 /nfs/dbraw/zinc/79/10/82/921791082.db2.gz ARMLOWGKBUGUQO-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480122119 916296460 /nfs/dbraw/zinc/29/64/60/916296460.db2.gz NNJLLGICABPMQR-ZDUSSCGKSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001480530503 916459144 /nfs/dbraw/zinc/45/91/44/916459144.db2.gz IMBYYXDMCDHOHB-NWDGAFQWSA-N 2 0 282.388 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001480531266 916461967 /nfs/dbraw/zinc/46/19/67/916461967.db2.gz XBKREUUWZLQFQA-LBPRGKRZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001480571578 916477578 /nfs/dbraw/zinc/47/75/78/916477578.db2.gz IVJCFLAYMAVXBQ-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001480591470 916486512 /nfs/dbraw/zinc/48/65/12/916486512.db2.gz ITINTXSLGXJBSO-OLZOCXBDSA-N 2 0 267.373 -0.318 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001481874212 917013877 /nfs/dbraw/zinc/01/38/77/917013877.db2.gz FSUIZYNTJYXGMJ-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CN(C)CCO1 ZINC001482588251 917170573 /nfs/dbraw/zinc/17/05/73/917170573.db2.gz PEBKDMUABGEVGB-CYBMUJFWSA-N 2 0 267.373 -0.270 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483116154 917416534 /nfs/dbraw/zinc/41/65/34/917416534.db2.gz CPYLLACIDYDJPR-CHWSQXEVSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001484217292 917766876 /nfs/dbraw/zinc/76/68/76/917766876.db2.gz RGVYOEBNTUSJCN-GOEBONIOSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001484217290 917768090 /nfs/dbraw/zinc/76/80/90/917768090.db2.gz RGVYOEBNTUSJCN-GDBMZVCRSA-N 2 0 291.395 -0.486 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+](C)C)C1 ZINC001484238939 917786794 /nfs/dbraw/zinc/78/67/94/917786794.db2.gz NPZRMSUEANEVOF-AWEZNQCLSA-N 2 0 267.373 -0.486 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H](CC)[NH+](C)C ZINC001484499559 917880530 /nfs/dbraw/zinc/88/05/30/917880530.db2.gz XHUZNDRRYDRGGM-CYBMUJFWSA-N 2 0 269.389 -0.240 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001486024474 918315194 /nfs/dbraw/zinc/31/51/94/918315194.db2.gz OLYRUTDHABBTOR-VXGBXAGGSA-N 2 0 253.346 -0.829 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001486067277 918353185 /nfs/dbraw/zinc/35/31/85/918353185.db2.gz XPTZGUCZXRRCIG-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001486296282 918413946 /nfs/dbraw/zinc/41/39/46/918413946.db2.gz OZKDZWCYIPFDSJ-STQMWFEESA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001493793830 919620489 /nfs/dbraw/zinc/62/04/89/919620489.db2.gz NHFFZZLYSXJRQY-CHWSQXEVSA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149834 920033870 /nfs/dbraw/zinc/03/38/70/920033870.db2.gz NFUWAHVCTLTRSM-CHWSQXEVSA-N 2 0 296.415 -0.488 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001496979002 920189986 /nfs/dbraw/zinc/18/99/86/920189986.db2.gz NESOXJRGIVBESW-HZSPNIEDSA-N 2 0 281.400 -0.193 20 30 CBEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497115078 920253050 /nfs/dbraw/zinc/25/30/50/920253050.db2.gz SWNCHEAIYPYPOK-RYUDHWBXSA-N 2 0 255.362 -0.419 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001497818232 920403020 /nfs/dbraw/zinc/40/30/20/920403020.db2.gz RANUPBZOGYETGM-JHJVBQTASA-N 2 0 296.415 -0.277 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001500695390 920863555 /nfs/dbraw/zinc/86/35/55/920863555.db2.gz KXZPUQWUMPEQCS-HNNXBMFYSA-N 2 0 291.395 -0.199 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001522997673 922555170 /nfs/dbraw/zinc/55/51/70/922555170.db2.gz DSYQHGDEBZOBAQ-GFCCVEGCSA-N 2 0 267.377 -0.581 20 30 CBEDRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001523587274 922600153 /nfs/dbraw/zinc/60/01/53/922600153.db2.gz UDDJNLBAMRSLDJ-WDEREUQCSA-N 2 0 254.334 -0.546 20 30 CBEDRP CC1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)CC2(C[NH2+]C2)O1 ZINC001548577981 923403282 /nfs/dbraw/zinc/40/32/82/923403282.db2.gz JJAHAYGNYJXYSC-NSHDSACASA-N 2 0 280.372 -0.013 20 30 CBEDRP CNC(=[NH2+])NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000066245394 351598534 /nfs/dbraw/zinc/59/85/34/351598534.db2.gz ZDWFVYZOYAGNHW-ZDUSSCGKSA-N 2 0 262.357 -0.060 20 30 CBEDRP OC[C@@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CO)C2)C1 ZINC000342144859 353219468 /nfs/dbraw/zinc/21/94/68/353219468.db2.gz WJWUUODSHZULFN-ZIAGYGMSSA-N 2 0 252.358 -0.382 20 30 CBEDRP C=CCN1CC[C@H](N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)C1=O ZINC000519426529 354561921 /nfs/dbraw/zinc/56/19/21/354561921.db2.gz LJKXCRJPULGDOF-SRVKXCTJSA-N 2 0 278.356 -0.983 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000594444360 355248860 /nfs/dbraw/zinc/24/88/60/355248860.db2.gz PWEOBTQMEJXCQG-KGLIPLIRSA-N 2 0 293.415 -0.096 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000594424397 355247691 /nfs/dbraw/zinc/24/76/91/355247691.db2.gz CVYBJLMLQATKRJ-CYBMUJFWSA-N 2 0 281.404 -0.191 20 30 CBEDRP C[C@@H]1CN(CC(=O)N2CCN(C)CC2)C[C@@H](C)N1CC#N ZINC000602856799 355677058 /nfs/dbraw/zinc/67/70/58/355677058.db2.gz NPPMRAIZSOJLTQ-ZIAGYGMSSA-N 2 0 293.415 -0.321 20 30 CBEDRP C[C@H](C(=O)NCC#CCNC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635787273 357206034 /nfs/dbraw/zinc/20/60/34/357206034.db2.gz SQNOYHPKMVLCSN-VXGBXAGGSA-N 2 0 282.388 -0.878 20 30 CBEDRP C=CC[C@]1(C(=O)NC[C@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638613551 357506465 /nfs/dbraw/zinc/50/64/65/357506465.db2.gz YKRAGHMUJURIDY-WCQYABFASA-N 2 0 253.346 -0.211 20 30 CBEDRP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000178986930 220223330 /nfs/dbraw/zinc/22/33/30/220223330.db2.gz HKPBYMOLUJCIAC-RYUDHWBXSA-N 2 0 267.377 -0.931 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N(C)C[C@@H]1CCOC1 ZINC000261664559 220243889 /nfs/dbraw/zinc/24/38/89/220243889.db2.gz OHYCFVCNVCLSQU-UONOGXRCSA-N 2 0 295.431 -0.470 20 30 CBEDRP C[C@H]1C[NH+]=C(NCCN2CCC([NH+](C)C)CC2)N1 ZINC000261858175 220246269 /nfs/dbraw/zinc/24/62/69/220246269.db2.gz ACCIRIQDEFZRST-NSHDSACASA-N 2 0 253.394 -0.050 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cnnn1C ZINC000262256564 220248166 /nfs/dbraw/zinc/24/81/66/220248166.db2.gz FHHHWDCNRGXZSR-SNVBAGLBSA-N 2 0 265.365 -0.296 20 30 CBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])NCC1CCC1 ZINC000262529680 220252515 /nfs/dbraw/zinc/25/25/15/220252515.db2.gz MXINIHXDZNEFDF-LBPRGKRZSA-N 2 0 253.394 -0.063 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC2=[NH+]CCN2C)CC1 ZINC000262664342 220256013 /nfs/dbraw/zinc/25/60/13/220256013.db2.gz NZEPEBADOYJEQW-LBPRGKRZSA-N 2 0 253.394 -0.097 20 30 CBEDRP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1C[N@H+](C)CCN1C ZINC000263045531 220260007 /nfs/dbraw/zinc/26/00/07/220260007.db2.gz FHIGELPEZCEYAL-OLZOCXBDSA-N 2 0 283.420 -0.424 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnn(C)n1 ZINC000262799378 220258172 /nfs/dbraw/zinc/25/81/72/220258172.db2.gz QMEYQAGDHYQDRP-VIFPVBQESA-N 2 0 266.353 -0.901 20 30 CBEDRP CNC(=[NH2+])NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000264106023 220263651 /nfs/dbraw/zinc/26/36/51/220263651.db2.gz NQHFHGBCMOAGJR-UHFFFAOYSA-N 2 0 262.361 -0.133 20 30 CBEDRP C=CCNC(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000271964583 220273052 /nfs/dbraw/zinc/27/30/52/220273052.db2.gz SDSZQFXSFNEARV-NSHDSACASA-N 2 0 267.377 -0.323 20 30 CBEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCCCC1 ZINC000305224078 220324915 /nfs/dbraw/zinc/32/49/15/220324915.db2.gz VAWWBRZBOXWCCF-GFCCVEGCSA-N 2 0 251.378 -0.213 20 30 CBEDRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000330764176 220361859 /nfs/dbraw/zinc/36/18/59/220361859.db2.gz RFJXLZSINDPNKO-JTQLQIEISA-N 2 0 256.350 -0.080 20 30 CBEDRP C=CCN1CC[C@H](NC2(CO)CC[NH2+]CC2)C1=O ZINC000662282522 419574386 /nfs/dbraw/zinc/57/43/86/419574386.db2.gz BCCQVMQFHSDIKZ-NSHDSACASA-N 2 0 253.346 -0.523 20 30 CBEDRP C=CC[C@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662401910 419596234 /nfs/dbraw/zinc/59/62/34/419596234.db2.gz UAGLSCHKJLICDL-CQSZACIVSA-N 2 0 280.372 -0.767 20 30 CBEDRP C(#CCN1C[C@H]2C[NH2+]C[C@H]2C1)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000671240036 544806097 /nfs/dbraw/zinc/80/60/97/544806097.db2.gz BRWYUKHJAZWNSC-FPCVCCKLSA-N 2 0 274.412 -0.708 20 30 CBEDRP C=CCCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000659318579 420410923 /nfs/dbraw/zinc/41/09/23/420410923.db2.gz OHHWDAVXXLRFEK-UHFFFAOYSA-N 2 0 298.431 -0.027 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659706633 420454308 /nfs/dbraw/zinc/45/43/08/420454308.db2.gz OSXCKFODXDELNF-UHFFFAOYSA-N 2 0 296.415 -0.051 20 30 CBEDRP Cn1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C#N ZINC000530434156 264269080 /nfs/dbraw/zinc/26/90/80/264269080.db2.gz TUZPXWAOACTKRR-UHFFFAOYSA-N 2 0 292.387 -0.143 20 30 CBEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000262259217 276840672 /nfs/dbraw/zinc/84/06/72/276840672.db2.gz DJWLGVZDYOTREA-LBPRGKRZSA-N 2 0 279.388 -0.404 20 30 CBEDRP CNC(=O)CNC(=[NH+]C)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000262427197 277749273 /nfs/dbraw/zinc/74/92/73/277749273.db2.gz CZLBILIWSFMZRT-LBPRGKRZSA-N 2 0 281.404 -0.132 20 30 CBEDRP C=CCC[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000583203740 329363291 /nfs/dbraw/zinc/36/32/91/329363291.db2.gz JGLISVANIPAOOF-KGLIPLIRSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000491339902 332193314 /nfs/dbraw/zinc/19/33/14/332193314.db2.gz UBFYDMLMRQGDQG-CQSZACIVSA-N 2 0 282.388 -0.693 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000491454201 332215102 /nfs/dbraw/zinc/21/51/02/332215102.db2.gz WUFZFUMCESQGRA-UHFFFAOYSA-N 2 0 280.416 -0.259 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000491618671 332245189 /nfs/dbraw/zinc/24/51/89/332245189.db2.gz AWFBNRPKRFVDDF-UHFFFAOYSA-N 2 0 295.431 -0.222 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000491732094 332313570 /nfs/dbraw/zinc/31/35/70/332313570.db2.gz HDQRSXUEZCWTJK-OAHLLOKOSA-N 2 0 294.443 -0.013 20 30 CBEDRP CN(CCC#N)C[C@@H](O)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000517567894 333102670 /nfs/dbraw/zinc/10/26/70/333102670.db2.gz WZUCYHGFUIODNU-UONOGXRCSA-N 2 0 284.404 -0.761 20 30 CBEDRP C=CC[C@@H](CO)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582003724 336189287 /nfs/dbraw/zinc/18/92/87/336189287.db2.gz WDERSHUMAXEXOQ-KGLIPLIRSA-N 2 0 271.405 -0.631 20 30 CBEDRP COCCNC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000103338602 582112817 /nfs/dbraw/zinc/11/28/17/582112817.db2.gz RCOVUHJROVFDTG-NSHDSACASA-N 2 0 257.382 -0.827 20 30 CBEDRP COCCNC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000103338604 582112862 /nfs/dbraw/zinc/11/28/62/582112862.db2.gz RCOVUHJROVFDTG-LLVKDONJSA-N 2 0 257.382 -0.827 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H](CCO)C2)CC1 ZINC000748816524 582288655 /nfs/dbraw/zinc/28/86/55/582288655.db2.gz DQZGLUQULGDSOK-OAHLLOKOSA-N 2 0 293.411 -0.142 20 30 CBEDRP C#CCNC(=O)CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000815069432 582460309 /nfs/dbraw/zinc/46/03/09/582460309.db2.gz GRUSSIAJJJVXFE-OAHLLOKOSA-N 2 0 292.427 -0.162 20 30 CBEDRP C#CCSCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000819096296 582526833 /nfs/dbraw/zinc/52/68/33/582526833.db2.gz LVWZQMZLNARVER-ZDUSSCGKSA-N 2 0 271.430 -0.449 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000834484790 583124626 /nfs/dbraw/zinc/12/46/26/583124626.db2.gz MZABBKDHXUUFTR-BBBLOLIVSA-N 2 0 254.359 -0.691 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485624 583124998 /nfs/dbraw/zinc/12/49/98/583124998.db2.gz ZNORFALJRPQDDH-AVGNSLFASA-N 2 0 258.325 -0.216 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000834485626 583125086 /nfs/dbraw/zinc/12/50/86/583125086.db2.gz ZNORFALJRPQDDH-JHJVBQTASA-N 2 0 258.325 -0.216 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000838623742 583151843 /nfs/dbraw/zinc/15/18/43/583151843.db2.gz KJIGBOHIFFJUPP-AWEZNQCLSA-N 2 0 284.404 -0.447 20 30 CBEDRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841850053 583175234 /nfs/dbraw/zinc/17/52/34/583175234.db2.gz VTPMFKARMZSMEN-HBNTYKKESA-N 2 0 250.346 -0.008 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306131 583439973 /nfs/dbraw/zinc/43/99/73/583439973.db2.gz MSFAIOPVPJDQJC-NWDGAFQWSA-N 2 0 253.346 -0.618 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC[NH+]1CCCC1 ZINC000848982512 583464099 /nfs/dbraw/zinc/46/40/99/583464099.db2.gz SFXAWNRFOPDTHS-UHFFFAOYSA-N 2 0 283.420 -0.421 20 30 CBEDRP C[NH+]=C(NCCCC[NH+](C)C)NCCN1CCOCC1 ZINC000848989828 583464719 /nfs/dbraw/zinc/46/47/19/583464719.db2.gz DHVUAGDAWYYPMF-UHFFFAOYSA-N 2 0 285.436 -0.175 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)N1 ZINC000849000317 583466108 /nfs/dbraw/zinc/46/61/08/583466108.db2.gz RVLUJRVYCJLEQS-GHMZBOCLSA-N 2 0 267.377 -0.489 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852875674 583566162 /nfs/dbraw/zinc/56/61/62/583566162.db2.gz NBBPNHLKBNRUDA-MRTMQBJTSA-N 2 0 276.262 -0.244 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000852879263 583566325 /nfs/dbraw/zinc/56/63/25/583566325.db2.gz CGKXOSQUJWQAJI-HNNXBMFYSA-N 2 0 290.411 -0.505 20 30 CBEDRP C[NH+](C)CCOCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852885844 583568702 /nfs/dbraw/zinc/56/87/02/583568702.db2.gz CYVUKXGRMMYYTQ-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000852914333 583574061 /nfs/dbraw/zinc/57/40/61/583574061.db2.gz SWYHZASBAQUNLO-HNNXBMFYSA-N 2 0 290.411 -0.505 20 30 CBEDRP [NH3+][C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CC[C@H]1F ZINC000852919423 583574960 /nfs/dbraw/zinc/57/49/60/583574960.db2.gz WNSCGAFCMFBDLX-VXGBXAGGSA-N 2 0 253.321 -0.113 20 30 CBEDRP C#CC[C@@H](CCOC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000863589810 583848178 /nfs/dbraw/zinc/84/81/78/583848178.db2.gz XXDLWYXHOYYQFY-GJZGRUSLSA-N 2 0 283.416 -0.387 20 30 CBEDRP C=C[C@@H](O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018610 584007332 /nfs/dbraw/zinc/00/73/32/584007332.db2.gz TZLSEBVQNSQWNT-JHJVBQTASA-N 2 0 269.389 -0.269 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000876779973 584144186 /nfs/dbraw/zinc/14/41/86/584144186.db2.gz AFOYXKLXIKXWKL-LLVKDONJSA-N 2 0 274.796 -0.180 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCN1CC[NH+](C)CC1 ZINC000876779976 584144198 /nfs/dbraw/zinc/14/41/98/584144198.db2.gz AFOYXKLXIKXWKL-NSHDSACASA-N 2 0 274.796 -0.180 20 30 CBEDRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801421 584145947 /nfs/dbraw/zinc/14/59/47/584145947.db2.gz CCFVZSBQFPHOOE-NEPJUHHUSA-N 2 0 280.372 -0.427 20 30 CBEDRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801424 584146071 /nfs/dbraw/zinc/14/60/71/584146071.db2.gz CCFVZSBQFPHOOE-VXGBXAGGSA-N 2 0 280.372 -0.427 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000876850850 584149625 /nfs/dbraw/zinc/14/96/25/584149625.db2.gz CXUHANMACWMALD-NEPJUHHUSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000876984402 584159844 /nfs/dbraw/zinc/15/98/44/584159844.db2.gz GZIFOHMAJYMYHD-VIFPVBQESA-N 2 0 259.737 -0.343 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000884643018 584392539 /nfs/dbraw/zinc/39/25/39/584392539.db2.gz UYWPEQMKAKEKQP-STQMWFEESA-N 2 0 292.383 -0.674 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492755 584891743 /nfs/dbraw/zinc/89/17/43/584891743.db2.gz SHKWTHCDDULUHR-ZAZJYDDPSA-N 2 0 295.383 -0.111 20 30 CBEDRP C#CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595729 613039546 /nfs/dbraw/zinc/03/95/46/613039546.db2.gz UVKYGSHJSWRCNO-KGLIPLIRSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[N@@H+]1C[C@@H](CNC(=O)C23CCC[NH+]2CCC3)[C@H](O)C1 ZINC000958214405 613288535 /nfs/dbraw/zinc/28/85/35/613288535.db2.gz HDGYHOWCRNOKIJ-ZIAGYGMSSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373241 613294215 /nfs/dbraw/zinc/29/42/15/613294215.db2.gz DSETUSYEFBSFKA-KBPBESRZSA-N 2 0 279.384 -0.630 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591756 613301682 /nfs/dbraw/zinc/30/16/82/613301682.db2.gz IEYABFDNSNWXFZ-OLZOCXBDSA-N 2 0 277.368 -0.876 20 30 CBEDRP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC000979056292 613309217 /nfs/dbraw/zinc/30/92/17/613309217.db2.gz BUGNBXNNZGCUES-XDQVBPFNSA-N 2 0 261.369 -0.135 20 30 CBEDRP CC#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595457 613624950 /nfs/dbraw/zinc/62/49/50/613624950.db2.gz RTAHZMHSCZOCLF-KGLIPLIRSA-N 2 0 291.395 -0.486 20 30 CBEDRP C=CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC000958374011 613816371 /nfs/dbraw/zinc/81/63/71/613816371.db2.gz KVNVHBAARCHSLI-ZIAGYGMSSA-N 2 0 281.400 -0.077 20 30 CBEDRP CNC(NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)=[NH+]C ZINC000303384733 656138734 /nfs/dbraw/zinc/13/87/34/656138734.db2.gz UXYIAMDBKSKYQK-SNVBAGLBSA-N 2 0 255.366 -0.631 20 30 CBEDRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303368907 656139031 /nfs/dbraw/zinc/13/90/31/656139031.db2.gz JHMMBWXJDWMOGR-GFCCVEGCSA-N 2 0 271.409 -0.437 20 30 CBEDRP C[NH+](C)C(C)(C)CNC(=[NH2+])NCCCN1CCOCC1 ZINC000303784666 656139388 /nfs/dbraw/zinc/13/93/88/656139388.db2.gz PODRJHUIMKKSSO-UHFFFAOYSA-N 2 0 285.436 -0.047 20 30 CBEDRP C[C@H](CNC(=[NH2+])N1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000303874413 656139504 /nfs/dbraw/zinc/13/95/04/656139504.db2.gz HEHKOHBTFLQDFJ-CYBMUJFWSA-N 2 0 283.420 -0.483 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863636 656139545 /nfs/dbraw/zinc/13/95/45/656139545.db2.gz AKCQNIGUQDWYOB-NSHDSACASA-N 2 0 269.393 -0.147 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303892559 656140419 /nfs/dbraw/zinc/14/04/19/656140419.db2.gz RIDBMNDZJZNOJY-SNVBAGLBSA-N 2 0 269.393 -0.114 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)N1CCOCC1 ZINC000305781489 656141578 /nfs/dbraw/zinc/14/15/78/656141578.db2.gz OZKMJBIFMXEPAD-GFCCVEGCSA-N 2 0 297.403 -0.766 20 30 CBEDRP C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905448974 656357289 /nfs/dbraw/zinc/35/72/89/656357289.db2.gz CCOSBPPHYLUCRW-UONOGXRCSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CCN1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905462262 656359020 /nfs/dbraw/zinc/35/90/20/656359020.db2.gz SXRRWFZEMHQSCY-HOTGVXAUSA-N 2 0 294.443 -0.718 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000907388571 656499331 /nfs/dbraw/zinc/49/93/31/656499331.db2.gz PRAHDQKOABYOLB-ZDUSSCGKSA-N 2 0 255.362 -0.323 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000907388570 656499698 /nfs/dbraw/zinc/49/96/98/656499698.db2.gz PRAHDQKOABYOLB-CYBMUJFWSA-N 2 0 255.362 -0.323 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]CCO)C2)CC1 ZINC001000990311 656780878 /nfs/dbraw/zinc/78/08/78/656780878.db2.gz BSDUVZJAERQSBZ-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911879518 657153588 /nfs/dbraw/zinc/15/35/88/657153588.db2.gz MZBHWOAHGZJWOW-RYUDHWBXSA-N 2 0 254.378 -0.229 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000912993494 657364625 /nfs/dbraw/zinc/36/46/25/657364625.db2.gz ZUQXMLJRIZFUNQ-ZDUSSCGKSA-N 2 0 296.415 -0.050 20 30 CBEDRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC#CC[NH+](C)C ZINC000913520097 657483561 /nfs/dbraw/zinc/48/35/61/657483561.db2.gz CEAFLKTVJAFENO-ZDUSSCGKSA-N 2 0 267.373 -0.364 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)C2)CC1 ZINC001016337654 657694034 /nfs/dbraw/zinc/69/40/34/657694034.db2.gz SOQGKEFHSOVPAW-ZFWWWQNUSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001019778943 657937863 /nfs/dbraw/zinc/93/78/63/657937863.db2.gz DYUNJEJFHPAUOX-KGLIPLIRSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001077027609 805673948 /nfs/dbraw/zinc/67/39/48/805673948.db2.gz MGZPNITUBODXRW-GBJTYRQASA-N 2 0 293.411 -0.099 20 30 CBEDRP C=CCCN1CCO[C@@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001035325867 799891522 /nfs/dbraw/zinc/89/15/22/799891522.db2.gz DLJAWXASIAQJTE-UONOGXRCSA-N 2 0 297.399 -0.290 20 30 CBEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001047385102 801859103 /nfs/dbraw/zinc/85/91/03/801859103.db2.gz YWXGWRYWFSQVEK-KBXIAJHMSA-N 2 0 293.411 -0.147 20 30 CBEDRP CC#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001047529066 801893785 /nfs/dbraw/zinc/89/37/85/801893785.db2.gz OYSYKLPTTCCBSG-KKUMJFAQSA-N 2 0 293.411 -0.003 20 30 CBEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001047528508 801893847 /nfs/dbraw/zinc/89/38/47/801893847.db2.gz SGVNWGVTOYYCNJ-KKUMJFAQSA-N 2 0 293.411 -0.003 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001047628468 801914217 /nfs/dbraw/zinc/91/42/17/801914217.db2.gz GJXHDEWPSKJKDT-IHRRRGAJSA-N 2 0 279.384 -0.535 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148359809 814939887 /nfs/dbraw/zinc/93/98/87/814939887.db2.gz FMQFUKQVTKLRNY-UHFFFAOYSA-N 2 0 282.388 -0.827 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCC[NH+](C)C ZINC001148365370 814941767 /nfs/dbraw/zinc/94/17/67/814941767.db2.gz NPCWSBOAFFZUPK-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321562862 803784747 /nfs/dbraw/zinc/78/47/47/803784747.db2.gz HSVSOCQRKKPIOD-VXGBXAGGSA-N 2 0 295.387 -0.795 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151049232 815051487 /nfs/dbraw/zinc/05/14/87/815051487.db2.gz KONODELYFSNZIZ-GFCCVEGCSA-N 2 0 253.346 -0.706 20 30 CBEDRP N#CCCN1CCN(C(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CC1 ZINC001160483174 815627484 /nfs/dbraw/zinc/62/74/84/815627484.db2.gz FNSAONHTMVXQHC-ZDUSSCGKSA-N 2 0 279.388 -0.629 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224118 815110860 /nfs/dbraw/zinc/11/08/60/815110860.db2.gz SAFVQVXEVZOJSZ-UHFFFAOYSA-N 2 0 296.415 -0.130 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]CCOC)CC1 ZINC001152324171 815115629 /nfs/dbraw/zinc/11/56/29/815115629.db2.gz NZBBQARHQPEQOC-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155789544 815310980 /nfs/dbraw/zinc/31/09/80/815310980.db2.gz DZNWMRRTJCBKTG-LBPRGKRZSA-N 2 0 282.388 -0.521 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155789543 815311475 /nfs/dbraw/zinc/31/14/75/815311475.db2.gz DZNWMRRTJCBKTG-GFCCVEGCSA-N 2 0 282.388 -0.521 20 30 CBEDRP COCC#CC[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155791536 815313884 /nfs/dbraw/zinc/31/38/84/815313884.db2.gz WJTPQIDSOFOHOP-CYBMUJFWSA-N 2 0 267.373 -0.174 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001086331774 810261766 /nfs/dbraw/zinc/26/17/66/810261766.db2.gz GOFGGFVMACGLHW-JHJVBQTASA-N 2 0 265.357 -0.565 20 30 CBEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815082 810569834 /nfs/dbraw/zinc/56/98/34/810569834.db2.gz MIDZRXDHMQPJCR-STQMWFEESA-N 2 0 267.373 -0.180 20 30 CBEDRP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099986290 810983638 /nfs/dbraw/zinc/98/36/38/810983638.db2.gz IROHSXLUILOTCN-RYUDHWBXSA-N 2 0 255.362 -0.325 20 30 CBEDRP C=CCOCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099987240 810986282 /nfs/dbraw/zinc/98/62/82/810986282.db2.gz WULYARUPHUABHG-KBPBESRZSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001100048793 811003514 /nfs/dbraw/zinc/00/35/14/811003514.db2.gz RCHKPLAWJMHTGQ-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](CC)CC)[C@H](O)C1 ZINC001100048794 811003907 /nfs/dbraw/zinc/00/39/07/811003907.db2.gz RCHKPLAWJMHTGQ-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100064123 811009263 /nfs/dbraw/zinc/00/92/63/811009263.db2.gz IJOZLHCEHCOITD-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100074720 811014376 /nfs/dbraw/zinc/01/43/76/811014376.db2.gz RHPDTLAVOSZIRF-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073342 811015392 /nfs/dbraw/zinc/01/53/92/811015392.db2.gz CGXCCRUVOUQISH-KBPBESRZSA-N 2 0 297.399 -0.861 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076003 811015435 /nfs/dbraw/zinc/01/54/35/811015435.db2.gz DNOWUZMYHJIMCC-UONOGXRCSA-N 2 0 297.399 -0.861 20 30 CBEDRP CC1([NH3+])CN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C1 ZINC001157634192 815449268 /nfs/dbraw/zinc/44/92/68/815449268.db2.gz XJSAQJWWDRUHNW-LBPRGKRZSA-N 2 0 258.325 -0.012 20 30 CBEDRP N#C[C@H]1CNCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157983260 815494806 /nfs/dbraw/zinc/49/48/06/815494806.db2.gz ZWASHNAMNVPJMO-NWDGAFQWSA-N 2 0 277.372 -0.815 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC001118137394 812476437 /nfs/dbraw/zinc/47/64/37/812476437.db2.gz BXUBAOMOLDYOAQ-QWHCGFSZSA-N 2 0 279.388 -0.486 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001118137393 812476695 /nfs/dbraw/zinc/47/66/95/812476695.db2.gz BXUBAOMOLDYOAQ-OLZOCXBDSA-N 2 0 279.388 -0.486 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118322701 812529219 /nfs/dbraw/zinc/52/92/19/812529219.db2.gz NWEYMNGWVQAIIH-UONOGXRCSA-N 2 0 293.415 -0.096 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@@H]2C1)O3 ZINC001158546291 815538654 /nfs/dbraw/zinc/53/86/54/815538654.db2.gz JPUWVIZVSNDJCT-MHDGFBEUSA-N 2 0 263.341 -0.684 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@H](CF)[C@@H](C2([NH3+])CC2)C1 ZINC001158576816 815539075 /nfs/dbraw/zinc/53/90/75/815539075.db2.gz DWIVBLUYZTUUTC-NHCYSSNCSA-N 2 0 253.321 -0.128 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]([NH3+])C1CC1)C2 ZINC001119297019 812745156 /nfs/dbraw/zinc/74/51/56/812745156.db2.gz IEVKSCKVDVAPND-BEVNXUHPSA-N 2 0 262.357 -0.021 20 30 CBEDRP CSCC[C@H]([NH3+])CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC001122011221 813103844 /nfs/dbraw/zinc/10/38/44/813103844.db2.gz KWLABKHVCOJLQR-UTLUCORTSA-N 2 0 256.375 -0.315 20 30 CBEDRP CSCC[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC001122011220 813104253 /nfs/dbraw/zinc/10/42/53/813104253.db2.gz KWLABKHVCOJLQR-LPEHRKFASA-N 2 0 256.375 -0.315 20 30 CBEDRP C=CC[C@]1(C(=O)N[C@@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001122062971 813110541 /nfs/dbraw/zinc/11/05/41/813110541.db2.gz HBAMBJBAYJYDLY-SMDDNHRTSA-N 2 0 265.357 -0.068 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC001122155039 813125204 /nfs/dbraw/zinc/12/52/04/813125204.db2.gz XWAGCQAACLBCJC-CYBMUJFWSA-N 2 0 265.357 -0.421 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCCCCN1CC[NH2+]CC1 ZINC001122194281 813131983 /nfs/dbraw/zinc/13/19/83/813131983.db2.gz BFWNCHNUAIYHSW-UHFFFAOYSA-N 2 0 266.389 -0.599 20 30 CBEDRP COCC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001122311472 813144852 /nfs/dbraw/zinc/14/48/52/813144852.db2.gz BDBMQZCCVRSUIR-NWDGAFQWSA-N 2 0 268.361 -0.156 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001127065824 813710087 /nfs/dbraw/zinc/71/00/87/813710087.db2.gz FIWSXXRYECHDDN-ZDUSSCGKSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001127474197 813732230 /nfs/dbraw/zinc/73/22/30/813732230.db2.gz JAQKQQVAEUFMOF-ZDUSSCGKSA-N 2 0 294.399 -0.664 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127558859 813735779 /nfs/dbraw/zinc/73/57/79/813735779.db2.gz UCVOHIPRSFMTEW-UHFFFAOYSA-N 2 0 277.372 -0.213 20 30 CBEDRP C#CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127575748 813735890 /nfs/dbraw/zinc/73/58/90/813735890.db2.gz AOBHHJFWXIPNJH-UHFFFAOYSA-N 2 0 263.345 -0.603 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001127690207 813742537 /nfs/dbraw/zinc/74/25/37/813742537.db2.gz HJOTZBIIKNHJIX-QWHCGFSZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127778467 813747274 /nfs/dbraw/zinc/74/72/74/813747274.db2.gz FQPBYENWZLARBF-VXGBXAGGSA-N 2 0 253.346 -0.259 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129449499 813844802 /nfs/dbraw/zinc/84/48/02/813844802.db2.gz NOXAWMOMPMZVKT-DGCLKSJQSA-N 2 0 294.399 -0.830 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526947 813848574 /nfs/dbraw/zinc/84/85/74/813848574.db2.gz UHNJENXVANUPTG-UHFFFAOYSA-N 2 0 282.388 -0.521 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130422167 813939689 /nfs/dbraw/zinc/93/96/89/813939689.db2.gz ZATXLVVWBSZKCG-GFCCVEGCSA-N 2 0 296.415 -0.440 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001133685081 814287390 /nfs/dbraw/zinc/28/73/90/814287390.db2.gz PQKQYZHYZWJDDS-CYBMUJFWSA-N 2 0 296.415 -0.438 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133820062 814302543 /nfs/dbraw/zinc/30/25/43/814302543.db2.gz XBEBHOBTBMFFKH-ZDUSSCGKSA-N 2 0 267.373 -0.174 20 30 CBEDRP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)CC(C)(C)C ZINC001133899559 814321320 /nfs/dbraw/zinc/32/13/20/814321320.db2.gz LXMVVQWDNKIMLI-UHFFFAOYSA-N 2 0 297.403 -0.690 20 30 CBEDRP CC[C@@H](C(=O)NCC[NH2+]CC#CCOC)[NH+](C)C ZINC001133962067 814331309 /nfs/dbraw/zinc/33/13/09/814331309.db2.gz BMCUIUMFAUATDE-LBPRGKRZSA-N 2 0 255.362 -0.318 20 30 CBEDRP C#CC[NH2+]CCNC(=O)COC[C@@H](C)[NH+]1CCCC1 ZINC001134054293 814345743 /nfs/dbraw/zinc/34/57/43/814345743.db2.gz DSLLOPGUTWSSDD-CYBMUJFWSA-N 2 0 267.373 -0.174 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146704525 814843641 /nfs/dbraw/zinc/84/36/41/814843641.db2.gz DANULWBAUZACBU-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146711169 814844192 /nfs/dbraw/zinc/84/41/92/814844192.db2.gz PYKMDOPTTXBAPV-GFCCVEGCSA-N 2 0 282.388 -0.828 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001147900121 814923748 /nfs/dbraw/zinc/92/37/48/814923748.db2.gz HZVPPUNUYJRHGJ-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCN1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160437407 815621775 /nfs/dbraw/zinc/62/17/75/815621775.db2.gz VHNINBZUXLSVHB-CQSZACIVSA-N 2 0 295.431 -0.933 20 30 CBEDRP N#CCCN1CCN(C(=O)[C@@H]([NH3+])CSCC[NH3+])CC1 ZINC001160484388 815628015 /nfs/dbraw/zinc/62/80/15/815628015.db2.gz XGASVLOFJUCKMC-NSHDSACASA-N 2 0 285.417 -0.937 20 30 CBEDRP Cc1ncc(C#N)c(N[C@@]2(C[NH3+])CN3CCC2CC3)n1 ZINC001160512079 815632288 /nfs/dbraw/zinc/63/22/88/815632288.db2.gz RRXYZTFAKRDKQT-AWEZNQCLSA-N 2 0 272.356 -0.086 20 30 CBEDRP N#C[C@@H]1CN(C(=O)[C@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001160650475 815652152 /nfs/dbraw/zinc/65/21/52/815652152.db2.gz DAPUBHSZLAVLAZ-VXGBXAGGSA-N 2 0 277.372 -0.815 20 30 CBEDRP N#C[C@@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCN1 ZINC001160653173 815653256 /nfs/dbraw/zinc/65/32/56/815653256.db2.gz XHBZDJYZNIGIKY-WDEREUQCSA-N 2 0 253.350 -0.843 20 30 CBEDRP CCCCN(CC#N)C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160735420 815665584 /nfs/dbraw/zinc/66/55/84/815665584.db2.gz TVJKWHZBLHNYPV-CYBMUJFWSA-N 2 0 281.404 -0.111 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160751543 815667405 /nfs/dbraw/zinc/66/74/05/815667405.db2.gz WBHOPCLDXQKUER-NSHDSACASA-N 2 0 261.329 -0.549 20 30 CBEDRP N#C[C@H]1CN(C(=O)C[C@@H]([NH3+])CCCC[NH3+])CCO1 ZINC001160879916 815683703 /nfs/dbraw/zinc/68/37/03/815683703.db2.gz VLEMACVFKIWIKA-QWRGUYRKSA-N 2 0 254.334 -0.416 20 30 CBEDRP C#CC1CCN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001160912725 815686845 /nfs/dbraw/zinc/68/68/45/815686845.db2.gz NUOKIADNJNTRBY-CQSZACIVSA-N 2 0 278.400 -0.391 20 30 CBEDRP N#C[C@H]1COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160933724 815688803 /nfs/dbraw/zinc/68/88/03/815688803.db2.gz NQAHBWMWWJIRIQ-WDEREUQCSA-N 2 0 252.318 -0.936 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001161041059 815704333 /nfs/dbraw/zinc/70/43/33/815704333.db2.gz DYEWMJZXADABFZ-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001161140637 815720564 /nfs/dbraw/zinc/72/05/64/815720564.db2.gz JLHPKOBKQNQHHM-ZMLRMANQSA-N 2 0 283.351 -0.801 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCO)CC1 ZINC001317294143 816960749 /nfs/dbraw/zinc/96/07/49/816960749.db2.gz JRGHCSZUWRSWMD-GFCCVEGCSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317309233 816963328 /nfs/dbraw/zinc/96/33/28/816963328.db2.gz HKIOSRGZBHOXRT-ZDUSSCGKSA-N 2 0 292.383 -0.978 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001319224744 817178166 /nfs/dbraw/zinc/17/81/66/817178166.db2.gz JBWVNBCDPRMHEB-CHWSQXEVSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001320199345 817289116 /nfs/dbraw/zinc/28/91/16/817289116.db2.gz BGUPXOGBCPEJAY-NEPJUHHUSA-N 2 0 255.362 -0.277 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320315445 817321533 /nfs/dbraw/zinc/32/15/33/817321533.db2.gz UJISGIDLOUWPJJ-RYUDHWBXSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CCC[NH+](C)C ZINC001165367346 819958154 /nfs/dbraw/zinc/95/81/54/819958154.db2.gz SZZDREPUMNFRRU-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166668285 820015254 /nfs/dbraw/zinc/01/52/54/820015254.db2.gz XUKUZXQFAAVIJJ-LBPRGKRZSA-N 2 0 295.387 -0.936 20 30 CBEDRP CSc1ncc(C#N)c(N[C@H]([NH3+])CCC[NH3+])n1 ZINC001170896847 820332167 /nfs/dbraw/zinc/33/21/67/820332167.db2.gz AMJYRRFGDHDVGV-QMMMGPOBSA-N 2 0 252.347 -0.072 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)COCC[NH+](C)C ZINC001171217398 820351301 /nfs/dbraw/zinc/35/13/01/820351301.db2.gz MBIDVQMAOPJOSH-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001181651357 820807892 /nfs/dbraw/zinc/80/78/92/820807892.db2.gz BJICONSLWOYHML-KGLIPLIRSA-N 2 0 279.384 -0.079 20 30 CBEDRP C=C(C[NH+]1CCCC1)C(=O)N(CC[NH3+])CC(=O)OCC ZINC001183085604 820973745 /nfs/dbraw/zinc/97/37/45/820973745.db2.gz CMFGSIMTANRENC-UHFFFAOYSA-N 2 0 283.372 -0.011 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115539 821212483 /nfs/dbraw/zinc/21/24/83/821212483.db2.gz LGDIYHKEMKGYGX-GFCCVEGCSA-N 2 0 253.346 -0.612 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001187121300 821214590 /nfs/dbraw/zinc/21/45/90/821214590.db2.gz GYDXZJRGRJBQPG-CQSZACIVSA-N 2 0 291.395 -0.078 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280567257 828360969 /nfs/dbraw/zinc/36/09/69/828360969.db2.gz QVZFXDQNTKGMCE-CHWSQXEVSA-N 2 0 265.357 -0.469 20 30 CBEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001280668373 828371202 /nfs/dbraw/zinc/37/12/02/828371202.db2.gz LWHBJALNBUYKLP-KBPBESRZSA-N 2 0 279.384 -0.222 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001281161925 828406167 /nfs/dbraw/zinc/40/61/67/828406167.db2.gz AXZFCFXDFJJIBT-GOEBONIOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001283798028 828549127 /nfs/dbraw/zinc/54/91/27/828549127.db2.gz UHZVGKHKIRGIAC-NSHDSACASA-N 2 0 253.346 -0.972 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)C[N@@H+](C)CCC ZINC001283823710 828553549 /nfs/dbraw/zinc/55/35/49/828553549.db2.gz JEQGDCUWFGOGAG-GFCCVEGCSA-N 2 0 255.362 -0.582 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001284436964 828595467 /nfs/dbraw/zinc/59/54/67/828595467.db2.gz VRUJMGCYSMKRLD-GFCCVEGCSA-N 2 0 269.389 -0.077 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001284467544 828599296 /nfs/dbraw/zinc/59/92/96/828599296.db2.gz KLHLJPSVQNKFSC-KGLIPLIRSA-N 2 0 299.415 -0.450 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001198028676 824215813 /nfs/dbraw/zinc/21/58/13/824215813.db2.gz FYHFJCYQUDEKIR-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001198655050 824235194 /nfs/dbraw/zinc/23/51/94/824235194.db2.gz YUKWMSXTFBDZLB-BFHYXJOUSA-N 2 0 297.399 -0.698 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199111970 824249277 /nfs/dbraw/zinc/24/92/77/824249277.db2.gz UUQMCZBNIVZHAL-CHWSQXEVSA-N 2 0 267.373 -0.489 20 30 CBEDRP N#Cc1ccnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c1 ZINC001218503275 824572141 /nfs/dbraw/zinc/57/21/41/824572141.db2.gz FEYGXLKWXUMDPA-VIFPVBQESA-N 2 0 265.342 -0.089 20 30 CBEDRP N#Cc1cnc(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)cn1 ZINC001218504750 824573932 /nfs/dbraw/zinc/57/39/32/824573932.db2.gz SMEURPAPBSHGDX-NOZJJQNGSA-N 2 0 272.312 -0.514 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C[NH2+]CC2 ZINC001218554779 824590005 /nfs/dbraw/zinc/59/00/05/824590005.db2.gz WTOPXNIFLCTEFL-XVKPBYJWSA-N 2 0 292.364 -0.073 20 30 CBEDRP N#Cc1cccc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])n1 ZINC001218587121 824598944 /nfs/dbraw/zinc/59/89/44/824598944.db2.gz GQNQCDVVMBEAOW-VIFPVBQESA-N 2 0 265.342 -0.089 20 30 CBEDRP N#Cc1c(N)nn(C(=O)[C@@H]([NH3+])CCCC[NH3+])c1N ZINC001218659668 824618781 /nfs/dbraw/zinc/61/87/81/824618781.db2.gz JJVJHURBVVFXJH-ZETCQYMHSA-N 2 0 251.294 -0.984 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@]12C[NH2+]C[C@H]1C[NH2+]CC2 ZINC001218700817 824625258 /nfs/dbraw/zinc/62/52/58/824625258.db2.gz DRYNTCJEZNTUNU-ZWNOBZJWSA-N 2 0 272.312 -0.514 20 30 CBEDRP C#CC[C@]1(C(=O)NC[C@]2(O)CC[NH2+]C[C@@H]2F)CCC[NH2+]1 ZINC001219619145 824858231 /nfs/dbraw/zinc/85/82/31/824858231.db2.gz ADOLICKYXKLBRL-IACUBPJLSA-N 2 0 283.347 -0.689 20 30 CBEDRP COC(=O)[C@H](CS)NC(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001220036854 824941032 /nfs/dbraw/zinc/94/10/32/824941032.db2.gz YAGXBSRXDPFSLV-IUCAKERBSA-N 2 0 277.390 -0.580 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001220043472 824942497 /nfs/dbraw/zinc/94/24/97/824942497.db2.gz STSLRBKUUBXHNY-GFCCVEGCSA-N 2 0 282.388 -0.488 20 30 CBEDRP N#C[C@H]1CC[C@H](NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)CC1 ZINC001220097328 824955459 /nfs/dbraw/zinc/95/54/59/824955459.db2.gz UYDVFBQYIHNXIU-MRVWCRGKSA-N 2 0 293.415 -0.065 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C1 ZINC001220281942 825004695 /nfs/dbraw/zinc/00/46/95/825004695.db2.gz DNBXWHCSXJNFMG-STQMWFEESA-N 2 0 258.325 -0.094 20 30 CBEDRP O=C(/C=C/NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(F)(F)F ZINC001220343225 825019520 /nfs/dbraw/zinc/01/95/20/825019520.db2.gz GHCACUUVRFACLI-HIXXPVPXSA-N 2 0 277.246 -0.443 20 30 CBEDRP [NH3+]CCC[C@H]([NH3+])C(=O)N/C=C/C(=O)C(F)(F)F ZINC001220343214 825020567 /nfs/dbraw/zinc/02/05/67/825020567.db2.gz GFSJXLSKGJBEKQ-QVQDZQDPSA-N 2 0 253.224 -0.186 20 30 CBEDRP CC(C)(S)CNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220487529 825048261 /nfs/dbraw/zinc/04/82/61/825048261.db2.gz UZPWIQRBTPOAFQ-JTQLQIEISA-N 2 0 274.434 -0.439 20 30 CBEDRP CCOC(=O)[C@H](C#N)NC(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001220498438 825049930 /nfs/dbraw/zinc/04/99/30/825049930.db2.gz GRPNPPBVKQCVDD-QWRGUYRKSA-N 2 0 294.355 -0.568 20 30 CBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)OCC ZINC001220570824 825063578 /nfs/dbraw/zinc/06/35/78/825063578.db2.gz AUHTZOZHTPNTNS-GBIKHYSHSA-N 2 0 269.345 -0.323 20 30 CBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@H]([NH3+])C1CC[NH2+]CC1)C(=O)OCC ZINC001220571768 825066603 /nfs/dbraw/zinc/06/66/03/825066603.db2.gz ZHHPAFFYWVWNNH-LALPHHSUSA-N 2 0 295.383 -0.063 20 30 CBEDRP C=C(C)C[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001220764804 825099495 /nfs/dbraw/zinc/09/94/95/825099495.db2.gz XFBATOJOBCYZHG-OLZOCXBDSA-N 2 0 285.388 -0.698 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220825851 825106595 /nfs/dbraw/zinc/10/65/95/825106595.db2.gz FYHFJCYQUDEKIR-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1COC2(C[NH2+]C2)CN1 ZINC001220868375 825115323 /nfs/dbraw/zinc/11/53/23/825115323.db2.gz HOZAMVXKPBIPLH-QWHCGFSZSA-N 2 0 294.399 -0.917 20 30 CBEDRP N#CC1(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)CCOCC1 ZINC001220966968 825130460 /nfs/dbraw/zinc/13/04/60/825130460.db2.gz MWBLQRJAXBZHPS-NSHDSACASA-N 2 0 266.345 -0.498 20 30 CBEDRP C=CC[C@@](C)(NC(=O)[C@@H]([NH3+])CCC[NH3+])C(=O)OC ZINC001221381824 825180331 /nfs/dbraw/zinc/18/03/31/825180331.db2.gz JWSHOFHZUNWKCQ-JOYOIKCWSA-N 2 0 257.334 -0.323 20 30 CBEDRP C#CCOCCOCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246335930 825665351 /nfs/dbraw/zinc/66/53/51/825665351.db2.gz DMRPWTYSANHVHG-CYBMUJFWSA-N 2 0 267.373 -0.664 20 30 CBEDRP C[NH+]1CCC(C#N)(N[C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246442115 825673199 /nfs/dbraw/zinc/67/31/99/825673199.db2.gz HPFDJAJOKUTYRS-LBPRGKRZSA-N 2 0 263.389 -0.342 20 30 CBEDRP CNC(=O)[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN[C@H](C#N)C1 ZINC001246513989 825678440 /nfs/dbraw/zinc/67/84/40/825678440.db2.gz XNWBSIWNHYKRNC-WOPDTQHZSA-N 2 0 267.377 -0.536 20 30 CBEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCC[C@@](O)(C[NH3+])CC2)CCN1 ZINC001246554474 825684981 /nfs/dbraw/zinc/68/49/81/825684981.db2.gz VGIMOPJCDWQFMO-XQQFMLRXSA-N 2 0 252.362 -0.194 20 30 CBEDRP N#C[C@@H]1C[C@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592317 825692792 /nfs/dbraw/zinc/69/27/92/825692792.db2.gz AGQXIIBYXGQPGN-QWHCGFSZSA-N 2 0 263.389 -0.342 20 30 CBEDRP N#C[C@H]1CC[C@@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246820220 825715795 /nfs/dbraw/zinc/71/57/95/825715795.db2.gz JNNHIGRDXWVZJM-UONOGXRCSA-N 2 0 265.405 -0.237 20 30 CBEDRP C=CCOC[C@@H](O)CN(CC[NH+](C)C)CC[NH+](C)C ZINC001252464827 825867885 /nfs/dbraw/zinc/86/78/85/825867885.db2.gz AUBLWRFRWMCRTJ-AWEZNQCLSA-N 2 0 273.421 -0.025 20 30 CBEDRP C=CCOC[C@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001252470366 825869047 /nfs/dbraw/zinc/86/90/47/825869047.db2.gz KFWJOXPZDNWNIL-CQSZACIVSA-N 2 0 299.415 -0.354 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001261647328 826555895 /nfs/dbraw/zinc/55/58/95/826555895.db2.gz PWKYAWPFEGQPPU-JTQLQIEISA-N 2 0 252.318 -0.792 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC001263182835 826750292 /nfs/dbraw/zinc/75/02/92/826750292.db2.gz ZVZUTTLCEBWHIL-UHFFFAOYSA-N 2 0 264.354 -0.291 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC2(CC1)C[NH2+]CCO2 ZINC001263222535 826755915 /nfs/dbraw/zinc/75/59/15/826755915.db2.gz GKSMFIASFVROGB-UHFFFAOYSA-N 2 0 291.395 -0.030 20 30 CBEDRP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264633888 826816205 /nfs/dbraw/zinc/81/62/05/826816205.db2.gz HKRXLMVCFOTRKY-CQSZACIVSA-N 2 0 281.400 -0.143 20 30 CBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265441310 826892718 /nfs/dbraw/zinc/89/27/18/826892718.db2.gz BJICONSLWOYHML-UONOGXRCSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265484919 826899183 /nfs/dbraw/zinc/89/91/83/826899183.db2.gz RSSOECGYPRTXQK-JHJVBQTASA-N 2 0 294.399 -0.687 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265566997 826904848 /nfs/dbraw/zinc/90/48/48/826904848.db2.gz RSSOECGYPRTXQK-FRRDWIJNSA-N 2 0 294.399 -0.687 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001265789982 826919294 /nfs/dbraw/zinc/91/92/94/826919294.db2.gz CNJGDRDCOALWIY-OLZOCXBDSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265821356 826924864 /nfs/dbraw/zinc/92/48/64/826924864.db2.gz RTGGHOWXGHJDTM-TZMCWYRMSA-N 2 0 296.415 -0.584 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+][C@@H](C)C(N)=O)CC1 ZINC001265870167 826931559 /nfs/dbraw/zinc/93/15/59/826931559.db2.gz KMXLZYJCKNGHSR-RYUDHWBXSA-N 2 0 294.399 -0.700 20 30 CBEDRP C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC(=O)NCC#N ZINC001266944684 827093263 /nfs/dbraw/zinc/09/32/63/827093263.db2.gz PACLHAXXHGXAAA-NSHDSACASA-N 2 0 295.387 -0.795 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[NH+]1CCCC1 ZINC001267081106 827112850 /nfs/dbraw/zinc/11/28/50/827112850.db2.gz CEVNEPKQFXVZEV-UHFFFAOYSA-N 2 0 282.388 -0.568 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001267798335 827222146 /nfs/dbraw/zinc/22/21/46/827222146.db2.gz FYQXOTDGRRJRHV-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001267800064 827223068 /nfs/dbraw/zinc/22/30/68/827223068.db2.gz MLDLYFTZZAGCPH-VXGBXAGGSA-N 2 0 295.387 -0.795 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001268014863 827242882 /nfs/dbraw/zinc/24/28/82/827242882.db2.gz YTVFFEICKOGMNR-KGLIPLIRSA-N 2 0 281.400 -0.070 20 30 CBEDRP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424737 827326514 /nfs/dbraw/zinc/32/65/14/827326514.db2.gz XKSODTRCJMLUNQ-VXGBXAGGSA-N 2 0 295.387 -0.938 20 30 CBEDRP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001268424729 827326735 /nfs/dbraw/zinc/32/67/35/827326735.db2.gz XKSODTRCJMLUNQ-NWDGAFQWSA-N 2 0 295.387 -0.938 20 30 CBEDRP COCC#CC[NH2+]C1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001269522195 827516398 /nfs/dbraw/zinc/51/63/98/827516398.db2.gz KCGHCQXPDGMVGB-UHFFFAOYSA-N 2 0 291.395 -0.030 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](CC)[NH2+]CCO)CC1 ZINC001269517729 827516540 /nfs/dbraw/zinc/51/65/40/827516540.db2.gz ZNWGASOWZPHZFV-CQSZACIVSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001270371507 827561582 /nfs/dbraw/zinc/56/15/82/827561582.db2.gz HXXVRDDDUSIFCB-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001271208306 827676531 /nfs/dbraw/zinc/67/65/31/827676531.db2.gz IRLAFFHDFRZQDY-GDBMZVCRSA-N 2 0 293.411 -0.096 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001272196837 827769949 /nfs/dbraw/zinc/76/99/49/827769949.db2.gz PSKLDLGNXKCJDI-AWEZNQCLSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001272258000 827775357 /nfs/dbraw/zinc/77/53/57/827775357.db2.gz AJRISSHEAUSDGH-ZDUSSCGKSA-N 2 0 269.389 -0.075 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001273929450 827943236 /nfs/dbraw/zinc/94/32/36/827943236.db2.gz KMBZTXUJGTWPLO-ZBFHGGJFSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001277863635 828214197 /nfs/dbraw/zinc/21/41/97/828214197.db2.gz QLABRWPFKOMIKZ-CHWSQXEVSA-N 2 0 296.415 -0.488 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001278106227 828249180 /nfs/dbraw/zinc/24/91/80/828249180.db2.gz WZDHGQKKZVXGQU-GFCCVEGCSA-N 2 0 286.335 -0.044 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001278773939 828286551 /nfs/dbraw/zinc/28/65/51/828286551.db2.gz NSUYMALVCZOLSN-CHWSQXEVSA-N 2 0 269.389 -0.241 20 30 CBEDRP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001278874395 828303708 /nfs/dbraw/zinc/30/37/08/828303708.db2.gz YIOGHMSXQDIKSJ-ZDUSSCGKSA-N 2 0 269.389 -0.288 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[NH2+]C1)C2 ZINC001330866513 886603631 /nfs/dbraw/zinc/60/36/31/886603631.db2.gz JTZJCEGUHMJHFM-BEVNXUHPSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331787389 886981923 /nfs/dbraw/zinc/98/19/23/886981923.db2.gz IFKRLMYABBNHSE-QWHCGFSZSA-N 2 0 269.389 -0.029 20 30 CBEDRP C[C@@H](C[NH3+])N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331957191 887062267 /nfs/dbraw/zinc/06/22/67/887062267.db2.gz IQSWAOLUPUYGQN-MSLYCWSTSA-N 2 0 250.346 -0.069 20 30 CBEDRP COCC[NH2+]CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333177056 887552414 /nfs/dbraw/zinc/55/24/14/887552414.db2.gz AMOOTYUJJHFYIJ-LXVYMNJGSA-N 2 0 280.372 -0.522 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCC[C@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001341114729 889545585 /nfs/dbraw/zinc/54/55/85/889545585.db2.gz ADLHEWAEYZZCJE-ZIAGYGMSSA-N 2 0 267.373 -0.003 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001341605888 889632385 /nfs/dbraw/zinc/63/23/85/889632385.db2.gz TXKRDFXROYHWML-UHFFFAOYSA-N 2 0 294.399 -0.778 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001326085199 884901466 /nfs/dbraw/zinc/90/14/66/884901466.db2.gz BWTURDHFGDOBSI-CYBMUJFWSA-N 2 0 269.389 -0.384 20 30 CBEDRP COCC#CC[NH2+]CCN(CCO)C(=O)C[NH+]1CCCC1 ZINC001326149564 884923091 /nfs/dbraw/zinc/92/30/91/884923091.db2.gz YIRKIMYUQBECTK-UHFFFAOYSA-N 2 0 297.399 -0.858 20 30 CBEDRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(CC#N)CC2)CC1 ZINC001326159477 884927325 /nfs/dbraw/zinc/92/73/25/884927325.db2.gz IWLNOIDKRQEQAU-CYBMUJFWSA-N 2 0 266.389 -0.122 20 30 CBEDRP C[NH+](C)CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CCC1 ZINC001326876893 885179294 /nfs/dbraw/zinc/17/92/94/885179294.db2.gz DANQOCVKYSAWDE-UHFFFAOYSA-N 2 0 295.387 -0.794 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC001327129700 885266334 /nfs/dbraw/zinc/26/63/34/885266334.db2.gz AUDNLMHZXJVAJV-WDEREUQCSA-N 2 0 254.334 -0.498 20 30 CBEDRP CN1CC[NH+]=C1NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC001327255146 885305680 /nfs/dbraw/zinc/30/56/80/885305680.db2.gz LCIQXJPQKAHHGK-UHFFFAOYSA-N 2 0 281.404 -0.145 20 30 CBEDRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC001329520485 886106330 /nfs/dbraw/zinc/10/63/30/886106330.db2.gz IZKBUTCXGCPMMD-GHMZBOCLSA-N 2 0 282.344 -0.629 20 30 CBEDRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC001330608076 886501398 /nfs/dbraw/zinc/50/13/98/886501398.db2.gz LVRKADOENHMIQU-NSHDSACASA-N 2 0 256.350 -0.298 20 30 CBEDRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001330876311 886609435 /nfs/dbraw/zinc/60/94/35/886609435.db2.gz KPXDQYBRUBYBFL-ARCGFLRYSA-N 2 0 262.357 -0.008 20 30 CBEDRP [NH3+]C1(CNC(=O)C#CC2CC[NH2+]CC2)CCOCC1 ZINC001331711382 886926787 /nfs/dbraw/zinc/92/67/87/886926787.db2.gz HWBGGRMPNDWJDG-UHFFFAOYSA-N 2 0 265.357 -0.387 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001331727497 886938459 /nfs/dbraw/zinc/93/84/59/886938459.db2.gz YDTPWAZPWNTDIC-LLVKDONJSA-N 2 0 255.362 -0.277 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001331725363 886938708 /nfs/dbraw/zinc/93/87/08/886938708.db2.gz NDBAEDKHMGSVHV-RYUDHWBXSA-N 2 0 257.378 -0.175 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC001331727498 886938989 /nfs/dbraw/zinc/93/89/89/886938989.db2.gz YDTPWAZPWNTDIC-NSHDSACASA-N 2 0 255.362 -0.277 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCN(CC(N)=O)C1 ZINC001331914686 887042155 /nfs/dbraw/zinc/04/21/55/887042155.db2.gz HUEOMQFQEQLFSQ-LBPRGKRZSA-N 2 0 282.388 -0.440 20 30 CBEDRP C=CC[C@H](CO)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001332358220 887221481 /nfs/dbraw/zinc/22/14/81/887221481.db2.gz YIAFOJIDGUFFSY-CHWSQXEVSA-N 2 0 257.378 -0.879 20 30 CBEDRP C[C@H]([NH3+])CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001333184437 887555437 /nfs/dbraw/zinc/55/54/37/887555437.db2.gz XSMVGCVECYGJRE-URAGZPLESA-N 2 0 250.346 -0.021 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)CC1 ZINC001336573746 888800852 /nfs/dbraw/zinc/80/08/52/888800852.db2.gz RNZOWZLSNTXOJW-AULYBMBSSA-N 2 0 294.399 -0.394 20 30 CBEDRP C#C[C@H](CCC)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001336812564 888891433 /nfs/dbraw/zinc/89/14/33/888891433.db2.gz ZHAGRBJCTQFLCH-KGLIPLIRSA-N 2 0 253.390 -0.014 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC001338488325 889167756 /nfs/dbraw/zinc/16/77/56/889167756.db2.gz KTXVQOFDIYOXIZ-CYBMUJFWSA-N 2 0 270.373 -0.567 20 30 CBEDRP C#CC[NH2+]CC(=O)N[C@@H]1C[NH2+]CC2(CCOCC2)C1 ZINC001341653576 889640870 /nfs/dbraw/zinc/64/08/70/889640870.db2.gz VPNIMIFILCYRGL-LBPRGKRZSA-N 2 0 265.357 -0.516 20 30 CBEDRP C#CC[NH2+]CC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC001342355947 889758857 /nfs/dbraw/zinc/75/88/57/889758857.db2.gz VZONOZAGKSHJBD-CYBMUJFWSA-N 2 0 292.383 -0.980 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(OC2C[NH2+]C2)CC1 ZINC001342489700 889784850 /nfs/dbraw/zinc/78/48/50/889784850.db2.gz FNANUXNOQJUUFN-UHFFFAOYSA-N 2 0 251.330 -0.811 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001342724053 889821994 /nfs/dbraw/zinc/82/19/94/889821994.db2.gz SDHFTXIXEGAWNL-DGCLKSJQSA-N 2 0 255.362 -0.018 20 30 CBEDRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC#C[C@@H]2CCCCO2)CC1 ZINC001346378653 890279399 /nfs/dbraw/zinc/27/93/99/890279399.db2.gz QXBRJRNLACKEDD-HOTGVXAUSA-N 2 0 295.427 -0.243 20 30 CBEDRP [NH3+]CC1(O)CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001347156751 890418945 /nfs/dbraw/zinc/41/89/45/890418945.db2.gz CWUWIKPKRUCMHC-UHFFFAOYSA-N 2 0 265.357 -0.698 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC001347150542 890419414 /nfs/dbraw/zinc/41/94/14/890419414.db2.gz ZGYFVOBMKLQTRI-UHFFFAOYSA-N 2 0 278.360 -0.383 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@@H]1COC2(C[NH2+]C2)C1 ZINC001354261081 891551669 /nfs/dbraw/zinc/55/16/69/891551669.db2.gz ZVJHFDBVFLZVSD-WDEREUQCSA-N 2 0 253.346 -0.083 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC001354450635 891581507 /nfs/dbraw/zinc/58/15/07/891581507.db2.gz QFYXBCYOKPFFLS-AWEZNQCLSA-N 2 0 279.384 -0.174 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC001354450638 891582058 /nfs/dbraw/zinc/58/20/58/891582058.db2.gz QFYXBCYOKPFFLS-CQSZACIVSA-N 2 0 279.384 -0.174 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001379281746 898537508 /nfs/dbraw/zinc/53/75/08/898537508.db2.gz FGNVYBXOETUJMP-QWRGUYRKSA-N 2 0 275.780 -0.243 20 30 CBEDRP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001422269170 907770730 /nfs/dbraw/zinc/77/07/30/907770730.db2.gz VTGBYOGHRHCKFB-QWRGUYRKSA-N 2 0 275.780 -0.100 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001502600403 921370184 /nfs/dbraw/zinc/37/01/84/921370184.db2.gz UVWGTZYFCAWPEY-DZGCQCFKSA-N 2 0 279.384 -0.486 20 30 CBEDRP C=CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001507182160 921718542 /nfs/dbraw/zinc/71/85/42/921718542.db2.gz HJBFXWKNHLLHET-NWDGAFQWSA-N 2 0 255.362 -0.277 20 30 CBEDRP COCC#CC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001507227977 921761640 /nfs/dbraw/zinc/76/16/40/921761640.db2.gz IXZJXWPJGUIPES-CYBMUJFWSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507233716 921768602 /nfs/dbraw/zinc/76/86/02/921768602.db2.gz TYUFVYZXJOKLSU-NEPJUHHUSA-N 2 0 253.346 -0.972 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001507249905 921782555 /nfs/dbraw/zinc/78/25/55/921782555.db2.gz XEPNDVLIPOJEIW-AWEZNQCLSA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001480530504 916461023 /nfs/dbraw/zinc/46/10/23/916461023.db2.gz IMBYYXDMCDHOHB-RYUDHWBXSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571577 916477417 /nfs/dbraw/zinc/47/74/17/916477417.db2.gz IVJCFLAYMAVXBQ-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001480571575 916479372 /nfs/dbraw/zinc/47/93/72/916479372.db2.gz IVJCFLAYMAVXBQ-CHWSQXEVSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480591472 916489053 /nfs/dbraw/zinc/48/90/53/916489053.db2.gz ITINTXSLGXJBSO-STQMWFEESA-N 2 0 267.373 -0.318 20 30 CBEDRP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481877000 917013398 /nfs/dbraw/zinc/01/33/98/917013398.db2.gz YQNSOMTYVCCGDJ-VXGBXAGGSA-N 2 0 295.387 -0.938 20 30 CBEDRP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001482135463 917064300 /nfs/dbraw/zinc/06/43/00/917064300.db2.gz AWDYJJKJGQWTFY-CYBMUJFWSA-N 2 0 269.389 -0.070 20 30 CBEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482714481 917223755 /nfs/dbraw/zinc/22/37/55/917223755.db2.gz BTHKPDJFUMOFEF-RYUDHWBXSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001483263026 917501432 /nfs/dbraw/zinc/50/14/32/917501432.db2.gz BPPONIVZCSAAKE-RYUDHWBXSA-N 2 0 282.388 -0.830 20 30 CBEDRP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001484246255 917784769 /nfs/dbraw/zinc/78/47/69/917784769.db2.gz HOJVZVSFLRYOQC-UKRRQHHQSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001484252609 917792769 /nfs/dbraw/zinc/79/27/69/917792769.db2.gz VUVQNRFORDYPME-AWEZNQCLSA-N 2 0 265.357 -0.732 20 30 CBEDRP C#CCC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001484493869 917876497 /nfs/dbraw/zinc/87/64/97/917876497.db2.gz MCNJVUZWDGCKPR-AWEZNQCLSA-N 2 0 281.400 -0.238 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H](CC)[NH+](C)C ZINC001484499560 917880416 /nfs/dbraw/zinc/88/04/16/917880416.db2.gz XHUZNDRRYDRGGM-ZDUSSCGKSA-N 2 0 269.389 -0.240 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485228529 918033794 /nfs/dbraw/zinc/03/37/94/918033794.db2.gz VIESKQRNHQWEGK-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001486024473 918314258 /nfs/dbraw/zinc/31/42/58/918314258.db2.gz OLYRUTDHABBTOR-NWDGAFQWSA-N 2 0 253.346 -0.829 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001486319242 918424342 /nfs/dbraw/zinc/42/43/42/918424342.db2.gz XWWKGDUBEMSUGT-AWEZNQCLSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC)C1 ZINC001490897353 918986521 /nfs/dbraw/zinc/98/65/21/918986521.db2.gz HNGVQGMVYAEUBV-AVGNSLFASA-N 2 0 292.383 -0.933 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001491992140 919305990 /nfs/dbraw/zinc/30/59/90/919305990.db2.gz KSRPRJTWYNQMHI-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001497031464 920216514 /nfs/dbraw/zinc/21/65/14/920216514.db2.gz APTHDTGPYIWZPJ-CYBMUJFWSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)CCC[NH+]1CCCCC1 ZINC001497110367 920250529 /nfs/dbraw/zinc/25/05/29/920250529.db2.gz LAZIOBPEFQZSGR-CQSZACIVSA-N 2 0 281.400 -0.048 20 30 CBEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001497115076 920254715 /nfs/dbraw/zinc/25/47/15/920254715.db2.gz SWNCHEAIYPYPOK-NWDGAFQWSA-N 2 0 255.362 -0.419 20 30 CBEDRP C=CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001497651148 920363211 /nfs/dbraw/zinc/36/32/11/920363211.db2.gz UTDGZXIIAIEMKM-DSYXLKISSA-N 2 0 294.399 -0.355 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497905626 920421295 /nfs/dbraw/zinc/42/12/95/920421295.db2.gz OXWBUIHKUYTDFB-TZMCWYRMSA-N 2 0 296.415 -0.584 20 30 CBEDRP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497909703 920421916 /nfs/dbraw/zinc/42/19/16/920421916.db2.gz BIUXZZADRMDIIY-NWDGAFQWSA-N 2 0 295.387 -0.938 20 30 CBEDRP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001498059699 920463724 /nfs/dbraw/zinc/46/37/24/920463724.db2.gz HSVSOCQRKKPIOD-NWDGAFQWSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001500724874 920872236 /nfs/dbraw/zinc/87/22/36/920872236.db2.gz JAQUWHGUTQFNPW-GOEBONIOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500724873 920875328 /nfs/dbraw/zinc/87/53/28/920875328.db2.gz JAQUWHGUTQFNPW-GDBMZVCRSA-N 2 0 293.411 -0.096 20 30 CBEDRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969002 922328767 /nfs/dbraw/zinc/32/87/67/922328767.db2.gz HRFNITHRRUOZPJ-OLZOCXBDSA-N 2 0 291.399 -0.521 20 30 CBEDRP COC[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001523587273 922601519 /nfs/dbraw/zinc/60/15/19/922601519.db2.gz UDDJNLBAMRSLDJ-QWRGUYRKSA-N 2 0 254.334 -0.546 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC001545547457 923316275 /nfs/dbraw/zinc/31/62/75/923316275.db2.gz LDCGSFXIZNSYIU-NEPJUHHUSA-N 2 0 255.362 -0.061 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312779895 352775920 /nfs/dbraw/zinc/77/59/20/352775920.db2.gz HOSCLBNVWPNLLO-TXEJJXNPSA-N 2 0 280.372 -0.070 20 30 CBEDRP OC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@@H]1CO ZINC000351266424 353475230 /nfs/dbraw/zinc/47/52/30/353475230.db2.gz DJVINPBQWZOVRB-ZIAGYGMSSA-N 2 0 252.358 -0.097 20 30 CBEDRP C=CCNC(=O)CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362830452 353668129 /nfs/dbraw/zinc/66/81/29/353668129.db2.gz KRWPWOJHVZOBSR-GFCCVEGCSA-N 2 0 280.372 -0.815 20 30 CBEDRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424160302 354212474 /nfs/dbraw/zinc/21/24/74/354212474.db2.gz UDSMIECFFNFUEN-NSHDSACASA-N 2 0 256.350 -0.298 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)COC2C[NH2+]C2)CC1 ZINC000430711477 354250852 /nfs/dbraw/zinc/25/08/52/354250852.db2.gz WWLMGRPFMGAFDB-UHFFFAOYSA-N 2 0 253.346 -0.259 20 30 CBEDRP C=CCN1CC[C@H](N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)C1=O ZINC000519426531 354561840 /nfs/dbraw/zinc/56/18/40/354561840.db2.gz LJKXCRJPULGDOF-UTUOFQBUSA-N 2 0 278.356 -0.983 20 30 CBEDRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H]1C[NH3+] ZINC000593916960 355230101 /nfs/dbraw/zinc/23/01/01/355230101.db2.gz RWWBYLANGYPHRK-IJLUTSLNSA-N 2 0 268.361 -0.170 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000595974923 355332964 /nfs/dbraw/zinc/33/29/64/355332964.db2.gz BTXGDTAZRBDLJU-KGLIPLIRSA-N 2 0 293.415 -0.096 20 30 CBEDRP C[C@@H]1CN(CC(=O)N2CCN(C)CC2)C[C@H](C)N1CC#N ZINC000602856798 355676318 /nfs/dbraw/zinc/67/63/18/355676318.db2.gz NPPMRAIZSOJLTQ-OKILXGFUSA-N 2 0 293.415 -0.321 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627386911 356637147 /nfs/dbraw/zinc/63/71/47/356637147.db2.gz ZWIIONFZFYEUHC-WCQYABFASA-N 2 0 294.399 -0.380 20 30 CBEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CCSCC1 ZINC000262754606 283261787 /nfs/dbraw/zinc/26/17/87/283261787.db2.gz CWHYYXZLQNCIKE-LLVKDONJSA-N 2 0 269.418 -0.650 20 30 CBEDRP C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236031 373779115 /nfs/dbraw/zinc/77/91/15/373779115.db2.gz RNKQGXFQCRDYLC-QWHCGFSZSA-N 2 0 294.399 -0.440 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[N@H+](C)CCN1C)N(C)C[C@@H]1CCOC1 ZINC000261598414 220243748 /nfs/dbraw/zinc/24/37/48/220243748.db2.gz AMXUUXZNRATHKD-UONOGXRCSA-N 2 0 297.447 -0.224 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1COCCO1 ZINC000262011830 220247767 /nfs/dbraw/zinc/24/77/67/220247767.db2.gz UJMLPTQVGAPWKU-NEPJUHHUSA-N 2 0 270.377 -0.210 20 30 CBEDRP C[NH+]=C(NCc1nncn1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000262014477 220248155 /nfs/dbraw/zinc/24/81/55/220248155.db2.gz XKYNXKUAUAFUQR-CMPLNLGQSA-N 2 0 291.403 -0.037 20 30 CBEDRP C[NH+]=C(NC[C@H]1C[N@H+](C)CCN1C)N1CCCC1 ZINC000262345135 220249054 /nfs/dbraw/zinc/24/90/54/220249054.db2.gz ZNWWBIYHEVOVOG-LBPRGKRZSA-N 2 0 253.394 -0.097 20 30 CBEDRP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](C2CC2)CC1 ZINC000262260308 220249910 /nfs/dbraw/zinc/24/99/10/220249910.db2.gz DOVZZYVIBCEZNN-UHFFFAOYSA-N 2 0 281.404 -0.134 20 30 CBEDRP C[C@H]1CN(C(=[NH2+])NC[C@]2(O)CC[N@H+](C)C2)CCO1 ZINC000262469268 220251561 /nfs/dbraw/zinc/25/15/61/220251561.db2.gz OKXBTKXYCZLVEW-CMPLNLGQSA-N 2 0 256.350 -0.912 20 30 CBEDRP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@H]1CCC[N@@H+]1C ZINC000262452008 220251809 /nfs/dbraw/zinc/25/18/09/220251809.db2.gz UUDACHLRDLCBPW-OLZOCXBDSA-N 2 0 294.403 -0.287 20 30 CBEDRP CC[NH+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262816362 220257215 /nfs/dbraw/zinc/25/72/15/220257215.db2.gz WTCPPMYCUSMEES-KBPBESRZSA-N 2 0 295.431 -0.280 20 30 CBEDRP C#CCNC(=O)[C@@H](C)N1CCN(c2nccn2C)CC1 ZINC000266882652 190286886 /nfs/dbraw/zinc/28/68/86/190286886.db2.gz ATHRIPOMROUARJ-GFCCVEGCSA-N 2 0 275.356 -0.320 20 30 CBEDRP O[C@]12C[C@H]1CN(CC#CC[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723818 419522867 /nfs/dbraw/zinc/52/28/67/419522867.db2.gz VKGQOUHBVCIIEJ-CAOSSQGBSA-N 2 0 276.380 -0.097 20 30 CBEDRP C=CC[C@@]1(C(=O)NCC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662401909 419596711 /nfs/dbraw/zinc/59/67/11/419596711.db2.gz UAGLSCHKJLICDL-AWEZNQCLSA-N 2 0 280.372 -0.767 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCC[NH2+]1 ZINC000662766292 419714490 /nfs/dbraw/zinc/71/44/90/419714490.db2.gz IENZCXQEHXRSSQ-AAEUAGOBSA-N 2 0 253.346 -0.129 20 30 CBEDRP C=CC[C@]1(C(=O)NC[C@H]2C[NH2+]CCO2)CCC[NH2+]1 ZINC000662812784 419733624 /nfs/dbraw/zinc/73/36/24/419733624.db2.gz FTWNUYLMYOCNTF-DGCLKSJQSA-N 2 0 253.346 -0.211 20 30 CBEDRP C=CC[C@]1(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)CCC[NH2+]1 ZINC000662947012 419790485 /nfs/dbraw/zinc/79/04/85/419790485.db2.gz GCJJKZNRJQOLDC-CQSZACIVSA-N 2 0 291.355 -0.045 20 30 CBEDRP C=CCNC(=O)[C@@H](C)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405834529 420227662 /nfs/dbraw/zinc/22/76/62/420227662.db2.gz BZJXRWLSGXJFGX-IJLUTSLNSA-N 2 0 255.362 -0.027 20 30 CBEDRP C=CCNC(=O)[C@H](C)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405834530 420228996 /nfs/dbraw/zinc/22/89/96/420228996.db2.gz BZJXRWLSGXJFGX-QJPTWQEYSA-N 2 0 255.362 -0.027 20 30 CBEDRP C[NH+](C)CCCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000264115258 273794622 /nfs/dbraw/zinc/79/46/22/273794622.db2.gz PQAJLAXFMFTBPQ-UHFFFAOYSA-N 2 0 291.403 -0.135 20 30 CBEDRP C[C@@H]1C[C@H](O)C[NH+]1CC#CC[N@H+]1C[C@@H](O)C[C@H]1C ZINC000341905779 279000944 /nfs/dbraw/zinc/00/09/44/279000944.db2.gz CRIRAWSLIYXEPA-MQYQWHSLSA-N 2 0 252.358 -0.100 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1C[NH+]2CCN1CC2 ZINC000262758926 279329887 /nfs/dbraw/zinc/32/98/87/279329887.db2.gz FFZOBYVJSJSYBX-KBPBESRZSA-N 3 0 294.447 -0.625 20 30 CBEDRP CN(C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(C#N)cc1 ZINC000564978186 327308843 /nfs/dbraw/zinc/30/88/43/327308843.db2.gz KOIQPJLNJSBATN-UONOGXRCSA-N 2 0 293.367 -0.190 20 30 CBEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582542413 329109198 /nfs/dbraw/zinc/10/91/98/329109198.db2.gz WAAVLDFAJYALGO-KFWWJZLASA-N 2 0 283.416 -0.082 20 30 CBEDRP CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C[NH3+])C1 ZINC000582604825 329114782 /nfs/dbraw/zinc/11/47/82/329114782.db2.gz HBGRJMFOWOFPQN-MNOVXSKESA-N 2 0 253.350 -0.891 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000490638137 332098897 /nfs/dbraw/zinc/09/88/97/332098897.db2.gz VLLFYLCAXCKAMG-HNNXBMFYSA-N 2 0 292.427 -0.306 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(NCCN1CCOCC1)=[NH+]C ZINC000491393553 332203269 /nfs/dbraw/zinc/20/32/69/332203269.db2.gz IHVUADRBFWWVCN-UHFFFAOYSA-N 2 0 295.431 -0.561 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491737517 332317004 /nfs/dbraw/zinc/31/70/04/332317004.db2.gz DZGDLXGJOLVDKB-LBPRGKRZSA-N 2 0 252.362 -0.007 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000491753010 332328576 /nfs/dbraw/zinc/32/85/76/332328576.db2.gz NLWXNQIMFUGNEX-CYBMUJFWSA-N 2 0 281.404 -0.856 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000764505455 582323721 /nfs/dbraw/zinc/32/37/21/582323721.db2.gz FJRPLWWBGJZGBS-CYBMUJFWSA-N 2 0 268.405 -0.144 20 30 CBEDRP COC(=O)CC[NH+]1CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000788724665 582386809 /nfs/dbraw/zinc/38/68/09/582386809.db2.gz CPOOXJXQKUJBNT-JTQLQIEISA-N 2 0 281.360 -0.061 20 30 CBEDRP OC[C@H]([NH2+]CC#CC[NH2+][C@@H](CO)C1CC1)C1CC1 ZINC000792878343 582396420 /nfs/dbraw/zinc/39/64/20/582396420.db2.gz VOADPKRTDAUFMJ-KBPBESRZSA-N 2 0 252.358 -0.289 20 30 CBEDRP OC[C@@H]([NH2+]CC#CC[NH2+][C@H](CO)C1CC1)C1CC1 ZINC000792878347 582396441 /nfs/dbraw/zinc/39/64/41/582396441.db2.gz VOADPKRTDAUFMJ-ZIAGYGMSSA-N 2 0 252.358 -0.289 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000834484793 583124567 /nfs/dbraw/zinc/12/45/67/583124567.db2.gz MZABBKDHXUUFTR-UTLUCORTSA-N 2 0 254.359 -0.691 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000834485451 583124843 /nfs/dbraw/zinc/12/48/43/583124843.db2.gz XDAOZSUVNMRYFZ-JHJVBQTASA-N 2 0 258.325 -0.043 20 30 CBEDRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1(C)C ZINC000834484979 583124975 /nfs/dbraw/zinc/12/49/75/583124975.db2.gz QMRBMFBRZOVRQQ-BIAAXOCRSA-N 2 0 280.372 -0.253 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000843461604 583222540 /nfs/dbraw/zinc/22/25/40/583222540.db2.gz VMHPZPXPMMLDQT-HLTSFMKQSA-N 2 0 258.272 -0.541 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000843461611 583222583 /nfs/dbraw/zinc/22/25/83/583222583.db2.gz VMHPZPXPMMLDQT-HRDYMLBCSA-N 2 0 258.272 -0.541 20 30 CBEDRP CC[NH+]1CCN(CCNC(NC2CC2)=[NH+]C)CC1 ZINC000848987796 583464675 /nfs/dbraw/zinc/46/46/75/583464675.db2.gz CBMDDQVGBJLNSD-UHFFFAOYSA-N 2 0 253.394 -0.049 20 30 CBEDRP COCC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852867330 583564512 /nfs/dbraw/zinc/56/45/12/583564512.db2.gz ULERBPCQHPKNAI-CQSZACIVSA-N 2 0 279.384 -0.174 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N(C)CCOCC[NH3+] ZINC000861634881 583773664 /nfs/dbraw/zinc/77/36/64/583773664.db2.gz UTNZXCPLELPXDB-UHFFFAOYSA-N 2 0 270.377 -0.442 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000861634910 583773667 /nfs/dbraw/zinc/77/36/67/583773667.db2.gz VIQMIWDTLHQCAT-UHFFFAOYSA-N 2 0 282.388 -0.251 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861713588 583780711 /nfs/dbraw/zinc/78/07/11/583780711.db2.gz DFFKNJWVGFHNBX-STQMWFEESA-N 2 0 267.373 -0.228 20 30 CBEDRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801423 584145929 /nfs/dbraw/zinc/14/59/29/584145929.db2.gz CCFVZSBQFPHOOE-RYUDHWBXSA-N 2 0 280.372 -0.427 20 30 CBEDRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801422 584146039 /nfs/dbraw/zinc/14/60/39/584146039.db2.gz CCFVZSBQFPHOOE-NWDGAFQWSA-N 2 0 280.372 -0.427 20 30 CBEDRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801805 584146076 /nfs/dbraw/zinc/14/60/76/584146076.db2.gz IZBMFUDIEYEKKT-OLZOCXBDSA-N 2 0 298.387 -0.801 20 30 CBEDRP C[NH+](C)CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000876803343 584147009 /nfs/dbraw/zinc/14/70/09/584147009.db2.gz VVVMAPICSBSONI-PWSUYJOCSA-N 2 0 276.344 -0.714 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876972507 584159159 /nfs/dbraw/zinc/15/91/59/584159159.db2.gz LDCJKHWCENPEBP-RYUDHWBXSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000876972506 584159254 /nfs/dbraw/zinc/15/92/54/584159254.db2.gz LDCJKHWCENPEBP-NWDGAFQWSA-N 2 0 286.807 -0.038 20 30 CBEDRP C[NH2+]CCOCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877023799 584162021 /nfs/dbraw/zinc/16/20/21/584162021.db2.gz FZOMZLYRUIUXBW-UHFFFAOYSA-N 2 0 253.346 -0.658 20 30 CBEDRP C#CC[NH2+]C1CC2(CC(NC(=O)[C@@H]3CN(C)CCO3)C2)C1 ZINC000963653279 612954646 /nfs/dbraw/zinc/95/46/46/612954646.db2.gz KRGJXJVXWHJBSX-JNJRBNHSSA-N 2 0 291.395 -0.033 20 30 CBEDRP C#CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595728 613035950 /nfs/dbraw/zinc/03/59/50/613035950.db2.gz UVKYGSHJSWRCNO-KBPBESRZSA-N 2 0 291.395 -0.486 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC000970792146 613129166 /nfs/dbraw/zinc/12/91/66/613129166.db2.gz GBTJLPXWYSJNOH-UKRRQHHQSA-N 2 0 293.411 -0.097 20 30 CBEDRP CN(C(=[NH2+])NCCC(=O)N1CCN(C)CC1)C1CC1 ZINC000181463209 656092075 /nfs/dbraw/zinc/09/20/75/656092075.db2.gz RWWBBHXTPZKKBD-UHFFFAOYSA-N 2 0 267.377 -0.441 20 30 CBEDRP C[NH+]=C(NC[C@@H]1CCCO1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262819245 656133354 /nfs/dbraw/zinc/13/33/54/656133354.db2.gz XPFBEXVTBVHCQJ-STQMWFEESA-N 2 0 281.404 -0.670 20 30 CBEDRP CNC(=[NH2+])NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000303387467 656139000 /nfs/dbraw/zinc/13/90/00/656139000.db2.gz WSVDMMPKWNLMMY-SNVBAGLBSA-N 2 0 255.366 -0.537 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303880954 656139320 /nfs/dbraw/zinc/13/93/20/656139320.db2.gz KKSIKSBGFZPLCN-QWHCGFSZSA-N 2 0 285.436 -0.191 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000303982037 656140074 /nfs/dbraw/zinc/14/00/74/656140074.db2.gz PUQGDWNYYCSEME-CYBMUJFWSA-N 2 0 297.447 -0.034 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NC[C@H](C)N1CC[NH+](C)CC1 ZINC000303978321 656140188 /nfs/dbraw/zinc/14/01/88/656140188.db2.gz MFRCGJCSTGQUHZ-NEPJUHHUSA-N 2 0 271.409 -0.439 20 30 CBEDRP C[C@@H](CNC(=[NH2+])N1CCOCC1)N1CC[NH+](C)CC1 ZINC000303973426 656140279 /nfs/dbraw/zinc/14/02/79/656140279.db2.gz GVNLUGAIGDKHTP-LBPRGKRZSA-N 2 0 269.393 -0.731 20 30 CBEDRP C[C@@H](CNC(=[NH2+])N1CCSCC1)N1CC[NH+](C)CC1 ZINC000303982036 656140295 /nfs/dbraw/zinc/14/02/95/656140295.db2.gz PUPFANCBDGDDQF-LBPRGKRZSA-N 2 0 285.461 -0.014 20 30 CBEDRP COCCNC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304756151 656141053 /nfs/dbraw/zinc/14/10/53/656141053.db2.gz ZPHRUDDPQSDACW-UHFFFAOYSA-N 2 0 271.409 -0.437 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCO)C2)CC1 ZINC000999876273 656663466 /nfs/dbraw/zinc/66/34/66/656663466.db2.gz KTBYCDKRFNUVHA-UHFFFAOYSA-N 2 0 293.411 -0.097 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908201362 656665357 /nfs/dbraw/zinc/66/53/57/656665357.db2.gz FPXRWQNJGHBMOE-LBPRGKRZSA-N 2 0 255.362 -0.323 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000908436319 656725875 /nfs/dbraw/zinc/72/58/75/656725875.db2.gz PCZOWFCQPLWJNX-JSGCOSHPSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000911235458 656993703 /nfs/dbraw/zinc/99/37/03/656993703.db2.gz FEMNZQOFRVFOOM-DGCLKSJQSA-N 2 0 294.399 -0.441 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001009627785 657083356 /nfs/dbraw/zinc/08/33/56/657083356.db2.gz MRZQYHOHWCVDGG-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+](CCO)C2)CC1 ZINC001009627784 657084001 /nfs/dbraw/zinc/08/40/01/657084001.db2.gz MRZQYHOHWCVDGG-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911879516 657154065 /nfs/dbraw/zinc/15/40/65/657154065.db2.gz MZBHWOAHGZJWOW-NEPJUHHUSA-N 2 0 254.378 -0.229 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N1CCN(C)C[C@H]1CO ZINC000912735038 657318557 /nfs/dbraw/zinc/31/85/57/657318557.db2.gz UOWTVLVCFFGXNY-LBPRGKRZSA-N 2 0 255.362 -0.371 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCO)C2)CC1 ZINC001016333308 657688987 /nfs/dbraw/zinc/68/89/87/657688987.db2.gz WBYUAJQQRYDHES-CQSZACIVSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)C2)CC1 ZINC001016337648 657694292 /nfs/dbraw/zinc/69/42/92/657694292.db2.gz SOQGKEFHSOVPAW-HIFRSBDPSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001020178854 658021433 /nfs/dbraw/zinc/02/14/33/658021433.db2.gz GTZASFHZCATQBJ-XDQVBPFNSA-N 2 0 277.368 -0.280 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC001020178853 658021734 /nfs/dbraw/zinc/02/17/34/658021734.db2.gz GTZASFHZCATQBJ-SYQHCUMBSA-N 2 0 277.368 -0.280 20 30 CBEDRP C#CCN1CCC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000923551655 658316815 /nfs/dbraw/zinc/31/68/15/658316815.db2.gz CANMKBWJVIXLNA-LSDHHAIUSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CCN1CCC[C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000923551654 658318525 /nfs/dbraw/zinc/31/85/25/658318525.db2.gz CANMKBWJVIXLNA-HUUCEWRRSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCO)[C@H]2C)CC1 ZINC000987569815 659512214 /nfs/dbraw/zinc/51/22/14/659512214.db2.gz IRNXGWHBGKBVQS-HIFRSBDPSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001077003070 805670880 /nfs/dbraw/zinc/67/08/80/805670880.db2.gz RFRJRQYSOPAUHG-RRFJBIMHSA-N 2 0 291.395 -0.487 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001078005573 805820580 /nfs/dbraw/zinc/82/05/80/805820580.db2.gz FRQPJSYYPNDIIH-MGPQQGTHSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001082368535 806169153 /nfs/dbraw/zinc/16/91/53/806169153.db2.gz GJRSJLLWRJNTRW-BFHYXJOUSA-N 2 0 279.384 -0.223 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083749713 806423612 /nfs/dbraw/zinc/42/36/12/806423612.db2.gz NMOHDKLXJHWLSU-KGLIPLIRSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001083781916 806430513 /nfs/dbraw/zinc/43/05/13/806430513.db2.gz ZZTQINJZKULLTB-MCIONIFRSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001083833599 806442398 /nfs/dbraw/zinc/44/23/98/806442398.db2.gz KWWKDGHAXYVHLE-CABCVRRESA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001083953970 806466941 /nfs/dbraw/zinc/46/69/41/806466941.db2.gz FRQPJSYYPNDIIH-MCIONIFRSA-N 2 0 279.384 -0.487 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053572 806480607 /nfs/dbraw/zinc/48/06/07/806480607.db2.gz CFNYNXCVDNUCKS-UPJWGTAASA-N 2 0 265.357 -0.877 20 30 CBEDRP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001084053541 806482326 /nfs/dbraw/zinc/48/23/26/806482326.db2.gz BDJJFTIIYPIQJA-XQQFMLRXSA-N 2 0 267.373 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CCO)C2)CC1 ZINC001046849573 801798679 /nfs/dbraw/zinc/79/86/79/801798679.db2.gz HMISCVGYDYFESR-INIZCTEOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047528204 801894858 /nfs/dbraw/zinc/89/48/58/801894858.db2.gz MZNSNAIMRFKUFN-KKUMJFAQSA-N 2 0 293.411 -0.145 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H]([NH2+]CCO)C1 ZINC001122176311 813128031 /nfs/dbraw/zinc/12/80/31/813128031.db2.gz XLDTVSGCONQTBB-AWEZNQCLSA-N 2 0 279.384 -0.438 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2C[C@@H]3C)CC1 ZINC001124033847 813393821 /nfs/dbraw/zinc/39/38/21/813393821.db2.gz WVGJAAOCPHUTGM-DZGCQCFKSA-N 2 0 290.411 -0.412 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834175 814304785 /nfs/dbraw/zinc/30/47/85/814304785.db2.gz PWLIHWUMYBLUMP-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C[NH+](C)CCCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148359725 814939335 /nfs/dbraw/zinc/93/93/35/814939335.db2.gz AFYKJFLEIFHVEH-UHFFFAOYSA-N 2 0 283.376 -0.936 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+](C)CCC)C1=O ZINC001148643372 814954195 /nfs/dbraw/zinc/95/41/95/814954195.db2.gz XFRJLWDCTNODQU-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148639003 814955198 /nfs/dbraw/zinc/95/51/98/814955198.db2.gz XEDCHMBBGRAVCW-UHFFFAOYSA-N 2 0 270.377 -0.664 20 30 CBEDRP CC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001322041537 803853005 /nfs/dbraw/zinc/85/30/05/803853005.db2.gz HUXUAVJULPPOQL-QWRGUYRKSA-N 2 0 283.376 -0.939 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151107325 815062076 /nfs/dbraw/zinc/06/20/76/815062076.db2.gz STCRNBADYLSNPT-LBPRGKRZSA-N 2 0 282.388 -0.521 20 30 CBEDRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001152445634 815122296 /nfs/dbraw/zinc/12/22/96/815122296.db2.gz LDHSLJMSJXVABM-GFCCVEGCSA-N 2 0 295.387 -0.794 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822366 815314067 /nfs/dbraw/zinc/31/40/67/815314067.db2.gz OTJXYYCAQQLGEO-OLZOCXBDSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090730084 810559878 /nfs/dbraw/zinc/55/98/78/810559878.db2.gz FWPKHKLFAHUHFM-STQMWFEESA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099985916 810983966 /nfs/dbraw/zinc/98/39/66/810983966.db2.gz GYHFPFBZPUSCQY-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001099989516 810986888 /nfs/dbraw/zinc/98/68/88/810986888.db2.gz RRYHLOWBMFBILB-STQMWFEESA-N 2 0 267.373 -0.487 20 30 CBEDRP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001100067789 811011741 /nfs/dbraw/zinc/01/17/41/811011741.db2.gz XWGMRDZJVUBJEU-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=C(C)C[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100073758 811015623 /nfs/dbraw/zinc/01/56/23/811015623.db2.gz GQMUDJSQADQOHW-KBPBESRZSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082578 811019045 /nfs/dbraw/zinc/01/90/45/811019045.db2.gz FCKLILQVJXBDHT-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=C[C@@H]1C[C@]1([NH3+])C(=O)N[C@@H](CCCC[NH3+])C(=O)NC ZINC001157323587 815423107 /nfs/dbraw/zinc/42/31/07/815423107.db2.gz UQVXWKHZDHCGOW-GBIKHYSHSA-N 2 0 268.361 -0.750 20 30 CBEDRP CC1(C#N)CN(C(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001157694048 815454722 /nfs/dbraw/zinc/45/47/22/815454722.db2.gz LPMBHFIPTJGWHK-LLVKDONJSA-N 2 0 265.361 -0.891 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001158420599 815527840 /nfs/dbraw/zinc/52/78/40/815527840.db2.gz GTENQNVHFVHSDL-CHWSQXEVSA-N 2 0 296.415 -0.275 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC001118137392 812477025 /nfs/dbraw/zinc/47/70/25/812477025.db2.gz BXUBAOMOLDYOAQ-CHWSQXEVSA-N 2 0 279.388 -0.486 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC001118200672 812493777 /nfs/dbraw/zinc/49/37/77/812493777.db2.gz FDONNWSQLNEUAJ-STQMWFEESA-N 2 0 279.388 -0.486 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118322700 812529563 /nfs/dbraw/zinc/52/95/63/812529563.db2.gz NWEYMNGWVQAIIH-KGLIPLIRSA-N 2 0 293.415 -0.096 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001118384504 812543236 /nfs/dbraw/zinc/54/32/36/812543236.db2.gz UXFXTUUDCPBGOP-VXGBXAGGSA-N 2 0 268.361 -0.108 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC001118384499 812543532 /nfs/dbraw/zinc/54/35/32/812543532.db2.gz UXFXTUUDCPBGOP-NEPJUHHUSA-N 2 0 268.361 -0.108 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507059 815536384 /nfs/dbraw/zinc/53/63/84/815536384.db2.gz OYUQMBPPQZLQIG-UONOGXRCSA-N 2 0 279.384 -0.031 20 30 CBEDRP N#CCCN1CCN(CCN2CC[NH2+]CC2)CC1 ZINC001118932877 812668913 /nfs/dbraw/zinc/66/89/13/812668913.db2.gz DEQFQGJKKYCCRS-UHFFFAOYSA-N 2 0 251.378 -0.577 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1Cc2nccn2C[C@@H](C[NH+](C)C)C1 ZINC001159134449 815561254 /nfs/dbraw/zinc/56/12/54/815561254.db2.gz NXWJIQBNKRAOAI-DOMZBBRYSA-N 2 0 289.383 -0.246 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001121902672 813088442 /nfs/dbraw/zinc/08/84/42/813088442.db2.gz BYHDSDRJKALJJK-ZDUSSCGKSA-N 2 0 267.373 -0.318 20 30 CBEDRP CSCC[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC001122011219 813104423 /nfs/dbraw/zinc/10/44/23/813104423.db2.gz KWLABKHVCOJLQR-KXUCPTDWSA-N 2 0 256.375 -0.315 20 30 CBEDRP C=CC[C@]1(C(=O)N(C)C[C@@H](O)C[NH2+]C)CCC[NH2+]1 ZINC001122099065 813117033 /nfs/dbraw/zinc/11/70/33/813117033.db2.gz CODCFDXUBWQZMC-WCQYABFASA-N 2 0 255.362 -0.277 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCNCC[NH2+]CC1 ZINC001122200817 813131551 /nfs/dbraw/zinc/13/15/51/813131551.db2.gz PLPOTHWDRUMOOA-SNVBAGLBSA-N 2 0 260.769 -0.522 20 30 CBEDRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127067116 813709003 /nfs/dbraw/zinc/70/90/03/813709003.db2.gz WVEIZUCOZQBXQG-GFCCVEGCSA-N 2 0 295.387 -0.795 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001127562743 813735766 /nfs/dbraw/zinc/73/57/66/813735766.db2.gz OWFMEIVHBFZCDZ-UHFFFAOYSA-N 2 0 277.372 -0.213 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127643846 813740081 /nfs/dbraw/zinc/74/00/81/813740081.db2.gz NSTDAFGUBBZPJR-YNEHKIRRSA-N 2 0 294.399 -0.830 20 30 CBEDRP CC#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127784835 813748012 /nfs/dbraw/zinc/74/80/12/813748012.db2.gz BSQIXABQJRSGIS-STQMWFEESA-N 2 0 265.357 -0.421 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001129437390 813844868 /nfs/dbraw/zinc/84/48/68/813844868.db2.gz ZVEKZDRISOANTO-CYBMUJFWSA-N 2 0 267.373 -0.318 20 30 CBEDRP C=CC[NH2+][C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992329 813893689 /nfs/dbraw/zinc/89/36/89/813893689.db2.gz YWIGSHLBEPUSBP-OLZOCXBDSA-N 2 0 292.387 -0.243 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001130203859 813918802 /nfs/dbraw/zinc/91/88/02/813918802.db2.gz ZVGNXUMUENZPNI-CHWSQXEVSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130419415 813938657 /nfs/dbraw/zinc/93/86/57/813938657.db2.gz ZPAMGFNQUQRCED-UHFFFAOYSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130806026 813983993 /nfs/dbraw/zinc/98/39/93/813983993.db2.gz YZSZEBBDHHHWFR-UHFFFAOYSA-N 2 0 294.399 -0.377 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001131525733 814037568 /nfs/dbraw/zinc/03/75/68/814037568.db2.gz IINYWRQVXFOBJQ-MBHSVXNSSA-N 2 0 263.341 -0.811 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869121 814313389 /nfs/dbraw/zinc/31/33/89/814313389.db2.gz BIDGCDRCJRMJEJ-CHWSQXEVSA-N 2 0 267.373 -0.460 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513134 814481767 /nfs/dbraw/zinc/48/17/67/814481767.db2.gz HJCUDSQZBXVHIX-GFCCVEGCSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[N@@H+](C)CC)C1=O ZINC001146704524 814844097 /nfs/dbraw/zinc/84/40/97/814844097.db2.gz DANULWBAUZACBU-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP N#C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)C1 ZINC001160643086 815651001 /nfs/dbraw/zinc/65/10/01/815651001.db2.gz XOURFBWJMAQQLU-AAEUAGOBSA-N 2 0 279.388 -0.501 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160749909 815666354 /nfs/dbraw/zinc/66/63/54/815666354.db2.gz ALKFGUXVRGNLDJ-GFCCVEGCSA-N 2 0 263.345 -0.031 20 30 CBEDRP N#C[C@@H]1COCCN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001160933722 815688673 /nfs/dbraw/zinc/68/86/73/815688673.db2.gz NQAHBWMWWJIRIQ-MNOVXSKESA-N 2 0 252.318 -0.936 20 30 CBEDRP N#C[C@H]1COCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160934093 815688880 /nfs/dbraw/zinc/68/88/80/815688880.db2.gz VVQHHTKNUHBJBM-QWRGUYRKSA-N 2 0 254.334 -0.416 20 30 CBEDRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161040546 815702169 /nfs/dbraw/zinc/70/21/69/815702169.db2.gz BVQKLHLANBMVCH-LBPRGKRZSA-N 2 0 295.387 -0.794 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@@H]([NH3+])C1CC[NH2+]CC1 ZINC001161140606 815720319 /nfs/dbraw/zinc/72/03/19/815720319.db2.gz IQROKFFYDUKXOC-DCAQKATOSA-N 2 0 254.309 -0.224 20 30 CBEDRP N#C[C@@H]1C[C@H](F)CN1C(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001161139453 815720424 /nfs/dbraw/zinc/72/04/24/815720424.db2.gz UTXUGURGZXCJKY-LPEHRKFASA-N 2 0 252.293 -0.742 20 30 CBEDRP C#CC[C@]1(C(=O)N(CCC[NH3+])CC(=O)OCC)CCC[NH2+]1 ZINC001161157587 815722969 /nfs/dbraw/zinc/72/29/69/815722969.db2.gz GFUTWBCFHLHPNH-OAHLLOKOSA-N 2 0 295.383 -0.128 20 30 CBEDRP COCC[N@@H+]1CC[C@H](NC(=O)NCC#CC[NH+](C)C)C1 ZINC001312080184 816849292 /nfs/dbraw/zinc/84/92/92/816849292.db2.gz VPERNBQXYCWCIQ-ZDUSSCGKSA-N 2 0 282.388 -0.429 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCO)CC1 ZINC001317294160 816960019 /nfs/dbraw/zinc/96/00/19/816960019.db2.gz JRGHCSZUWRSWMD-LBPRGKRZSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001320264051 817308574 /nfs/dbraw/zinc/30/85/74/817308574.db2.gz QCUGCOLNDRWGDC-UONOGXRCSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC001320274802 817311202 /nfs/dbraw/zinc/31/12/02/817311202.db2.gz RRGSVLGMNGDVNL-NEPJUHHUSA-N 2 0 255.362 -0.583 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001320315444 817320637 /nfs/dbraw/zinc/32/06/37/817320637.db2.gz UJISGIDLOUWPJJ-NWDGAFQWSA-N 2 0 253.346 -0.972 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001320315555 817321576 /nfs/dbraw/zinc/32/15/76/817321576.db2.gz JAEGIKNUOAFVIA-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001166857246 820042969 /nfs/dbraw/zinc/04/29/69/820042969.db2.gz AGDJMPLSXKKOQX-NSHDSACASA-N 2 0 283.376 -0.938 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001168043622 820141008 /nfs/dbraw/zinc/14/10/08/820141008.db2.gz LCWUHNWAGUPYKA-UHFFFAOYSA-N 2 0 277.372 -0.213 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176117982 820441410 /nfs/dbraw/zinc/44/14/10/820441410.db2.gz GTGMSBAOVWAAGM-ZDUSSCGKSA-N 2 0 296.415 -0.131 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]CCO)CC1 ZINC001176926139 820479658 /nfs/dbraw/zinc/47/96/58/820479658.db2.gz HIVDMBUWHLIEFQ-UHFFFAOYSA-N 2 0 267.373 -0.580 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@@H](C)O)CC1 ZINC001176926836 820481712 /nfs/dbraw/zinc/48/17/12/820481712.db2.gz XFTYTHQFXXCOQO-CYBMUJFWSA-N 2 0 281.400 -0.192 20 30 CBEDRP N#Cc1cc(CC(=O)N(CCCC[NH3+])C(N)=[NH2+])ccn1 ZINC001177673295 820532391 /nfs/dbraw/zinc/53/23/91/820532391.db2.gz DJYJSFCZTANGMJ-UHFFFAOYSA-N 2 0 274.328 -0.043 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001185249446 821111447 /nfs/dbraw/zinc/11/14/47/821111447.db2.gz XUBMXUOANYXMCR-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001187115598 821213009 /nfs/dbraw/zinc/21/30/09/821213009.db2.gz OBXLIQJSUHAOAS-CQSZACIVSA-N 2 0 297.399 -0.595 20 30 CBEDRP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+](C)C)CCO1 ZINC001280630305 828369024 /nfs/dbraw/zinc/36/90/24/828369024.db2.gz SMPJIAIWEWYVAS-ZDUSSCGKSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001187291413 822263699 /nfs/dbraw/zinc/26/36/99/822263699.db2.gz RIHWPKPNYKVIJH-CYBMUJFWSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCO)C2)CC1 ZINC001188091341 822319328 /nfs/dbraw/zinc/31/93/28/822319328.db2.gz LGPYDBZYHMLCLA-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001281636981 828421335 /nfs/dbraw/zinc/42/13/35/828421335.db2.gz QBEKZWIFSCXKGC-CQSZACIVSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]CCCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283470388 828520779 /nfs/dbraw/zinc/52/07/79/828520779.db2.gz BGBRLDCBTQPROJ-CYBMUJFWSA-N 2 0 267.373 -0.316 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283805108 828550303 /nfs/dbraw/zinc/55/03/03/828550303.db2.gz QIBQITYNTUBUGB-DOMZBBRYSA-N 2 0 299.390 -0.101 20 30 CBEDRP C=CCC[NH2+][C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC001283815032 828552802 /nfs/dbraw/zinc/55/28/02/828552802.db2.gz BSPPKUPIFNDCRH-LBPRGKRZSA-N 2 0 267.373 -0.275 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001284457848 828598826 /nfs/dbraw/zinc/59/88/26/828598826.db2.gz XXLKUTANLUNGNG-NWDGAFQWSA-N 2 0 257.378 -0.079 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001284457847 828598644 /nfs/dbraw/zinc/59/86/44/828598644.db2.gz XXLKUTANLUNGNG-NEPJUHHUSA-N 2 0 257.378 -0.079 20 30 CBEDRP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COCC[NH+](C)C)C1 ZINC001197825415 824203637 /nfs/dbraw/zinc/20/36/37/824203637.db2.gz DBAPXUZSVKQANY-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCC[NH2+]C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001199942970 824297583 /nfs/dbraw/zinc/29/75/83/824297583.db2.gz CFXQDNLFHDKKRH-AWEZNQCLSA-N 2 0 279.384 -0.079 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209418897 824470990 /nfs/dbraw/zinc/47/09/90/824470990.db2.gz GGHODVLNTIZOCO-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP Cc1noc(NC(=O)[C@@H]([NH3+])CN2CCC([NH3+])CC2)c1C#N ZINC001218503501 824573600 /nfs/dbraw/zinc/57/36/00/824573600.db2.gz NXBWQOACEHUONH-NSHDSACASA-N 2 0 292.343 -0.456 20 30 CBEDRP N#Cc1c2c(sc1NC(=O)[C@H]1C[NH2+]CCN1)C[NH2+]CC2 ZINC001218553849 824590044 /nfs/dbraw/zinc/59/00/44/824590044.db2.gz TXEBXJNBUKBRTF-SNVBAGLBSA-N 2 0 291.380 -0.235 20 30 CBEDRP N#Cc1c(NC(=O)[C@@H](N)CC[NH3+])sc2c1CC[NH2+]C2 ZINC001218555278 824590529 /nfs/dbraw/zinc/59/05/29/824590529.db2.gz ZJNPRNHTSGIRGM-VIFPVBQESA-N 2 0 279.369 -0.120 20 30 CBEDRP N#Cc1cccc(NC(=O)[C@H]([NH3+])CN2CCC([NH3+])CC2)n1 ZINC001218589761 824600258 /nfs/dbraw/zinc/60/02/58/824600258.db2.gz PFNSGLIZHGWRAZ-GFCCVEGCSA-N 2 0 288.355 -0.358 20 30 CBEDRP N#Cc1cnn2c1ncc(C#N)c2NC(=O)[C@@H]([NH3+])CCC[NH3+] ZINC001218637865 824611279 /nfs/dbraw/zinc/61/12/79/824611279.db2.gz RBPBULYTXWGUGL-JTQLQIEISA-N 2 0 298.310 -0.523 20 30 CBEDRP N#Cc1cc[nH]c1NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001218655743 824616612 /nfs/dbraw/zinc/61/66/12/824616612.db2.gz IZMKKQGOXCEIOF-LLVKDONJSA-N 2 0 276.344 -0.425 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])C2CC[NH2+]CC2)c(C#C)n1 ZINC001218657388 824618411 /nfs/dbraw/zinc/61/84/11/824618411.db2.gz KSRJZVPLMFNRNX-ZDUSSCGKSA-N 2 0 283.335 -0.295 20 30 CBEDRP N#CC1(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCC1 ZINC001219631857 824866760 /nfs/dbraw/zinc/86/67/60/824866760.db2.gz BXGRTAPLVSJKOO-BXUZGUMPSA-N 2 0 262.357 -0.004 20 30 CBEDRP C#CCCCNC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219634089 824868929 /nfs/dbraw/zinc/86/89/29/824868929.db2.gz NEJIGFAZCWEWHL-GFCCVEGCSA-N 2 0 252.362 -0.734 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC[C@H]1CCC2(CC[NH2+]CC2)O1 ZINC001219743548 824889211 /nfs/dbraw/zinc/88/92/11/824889211.db2.gz GQVKJHHZBHDAES-YPMHNXCESA-N 2 0 265.357 -0.246 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)N[C@H]2CO[C@@H]3C[NH2+]C[C@H]23)C1 ZINC001219856696 824903412 /nfs/dbraw/zinc/90/34/12/824903412.db2.gz XLOOYUBUJWAPPB-XZUYRWCXSA-N 2 0 251.330 -0.602 20 30 CBEDRP [NH3+]CCSC[C@H]([NH3+])C(=O)NC1=CC(=O)CCC1 ZINC001219885278 824908931 /nfs/dbraw/zinc/90/89/31/824908931.db2.gz MSLYLEQHSZHPLW-JTQLQIEISA-N 2 0 257.359 -0.241 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)n1cnc(C[NH3+])cc1=N ZINC001220020733 824936195 /nfs/dbraw/zinc/93/61/95/824936195.db2.gz SWRDKPSXBBEYCS-ZDUSSCGKSA-N 2 0 296.334 -0.097 20 30 CBEDRP N#C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001220094912 824952444 /nfs/dbraw/zinc/95/24/44/824952444.db2.gz MSCKLBLRGUYVET-SRVKXCTJSA-N 2 0 262.357 -0.006 20 30 CBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220415747 825035344 /nfs/dbraw/zinc/03/53/44/825035344.db2.gz VJRJQNRIJSWYJL-MRVPVSSYSA-N 2 0 280.288 -0.626 20 30 CBEDRP CCOC(=O)[C@@H](C#N)NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220498811 825050079 /nfs/dbraw/zinc/05/00/79/825050079.db2.gz LWEXYXPLTUJAOO-DTWKUNHWSA-N 2 0 256.306 -0.986 20 30 CBEDRP C=C[C@@H]1C[C@]1(NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220571631 825065690 /nfs/dbraw/zinc/06/56/90/825065690.db2.gz WHBRNEGZJNSOHK-UEKVPHQBSA-N 2 0 293.367 -0.581 20 30 CBEDRP C#CCN1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220682896 825084934 /nfs/dbraw/zinc/08/49/34/825084934.db2.gz GGTQPBUMZOFMRW-NEPJUHHUSA-N 2 0 253.346 -0.877 20 30 CBEDRP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220688455 825087642 /nfs/dbraw/zinc/08/76/42/825087642.db2.gz HBFDDHGHSDWVSA-OLZOCXBDSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220807520 825104034 /nfs/dbraw/zinc/10/40/34/825104034.db2.gz VQVOCKZFLGULTL-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)NC2=C(C(=O)OCC)C[NH2+]C2)C1 ZINC001220828109 825108661 /nfs/dbraw/zinc/10/86/61/825108661.db2.gz HITZZAONHUSYSJ-AWEZNQCLSA-N 2 0 279.340 -0.169 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@H]1O ZINC001220868450 825115648 /nfs/dbraw/zinc/11/56/48/825115648.db2.gz KIRWGNTZYVFTQZ-SDDRHHMPSA-N 2 0 253.346 -0.667 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(N)CCC[NH2+]C1 ZINC001220868635 825116710 /nfs/dbraw/zinc/11/67/10/825116710.db2.gz MYAYKPDJOQPVJX-JSGCOSHPSA-N 2 0 266.389 -0.166 20 30 CBEDRP N#CC1(NC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)CCOCC1 ZINC001220966896 825130026 /nfs/dbraw/zinc/13/00/26/825130026.db2.gz KEBSVWXVVGNIQW-BXUZGUMPSA-N 2 0 278.356 -0.626 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)NC1(C#N)CCOCC1 ZINC001220966859 825130425 /nfs/dbraw/zinc/13/04/25/825130425.db2.gz IYNRAJSOLUMHAT-NSHDSACASA-N 2 0 268.361 -0.108 20 30 CBEDRP C#CCOC[C@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245989103 825618527 /nfs/dbraw/zinc/61/85/27/825618527.db2.gz XVRLYZSCKMXQEM-ZIAGYGMSSA-N 2 0 281.400 -0.539 20 30 CBEDRP C=CCOC[C@H](O)C[N@H+]1C[C@H]2COC[C@@H](C1)C2[NH3+] ZINC001246044825 825628999 /nfs/dbraw/zinc/62/89/99/825628999.db2.gz HLUXPHLUKHLFRD-DAAZQVBGSA-N 2 0 256.346 -0.545 20 30 CBEDRP C=CCC[C@H](O)CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001246053405 825630436 /nfs/dbraw/zinc/63/04/36/825630436.db2.gz HRNQHCILJVELSU-AWEZNQCLSA-N 2 0 270.421 -0.602 20 30 CBEDRP C#CCOCCOCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246335931 825665168 /nfs/dbraw/zinc/66/51/68/825665168.db2.gz DMRPWTYSANHVHG-ZDUSSCGKSA-N 2 0 267.373 -0.664 20 30 CBEDRP C#CCCN1CCC[C@H]([NH2+][C@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246347478 825667298 /nfs/dbraw/zinc/66/72/98/825667298.db2.gz UDOGDBVPXLOYNY-KBPBESRZSA-N 2 0 290.411 -0.316 20 30 CBEDRP N#C[C@@H]1C[C@@H]([N@@H+]2CCNC3(CC[NH2+]CC3)C2)CCN1 ZINC001246592322 825692808 /nfs/dbraw/zinc/69/28/08/825692808.db2.gz AGQXIIBYXGQPGN-STQMWFEESA-N 2 0 263.389 -0.342 20 30 CBEDRP C#CCOC[C@H](O)C[N@H+]1CC[C@H]2[C@H]1CCN2CC[NH+](C)C ZINC001251843617 825794364 /nfs/dbraw/zinc/79/43/64/825794364.db2.gz KVPDIWWRIFPKJZ-OWCLPIDISA-N 2 0 295.427 -0.293 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252450539 825866176 /nfs/dbraw/zinc/86/61/76/825866176.db2.gz CYPJJDDGRQMCPI-CQSZACIVSA-N 2 0 271.405 -0.223 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC001261461021 826518169 /nfs/dbraw/zinc/51/81/69/826518169.db2.gz WBCYCXZMBUFZBK-NSHDSACASA-N 2 0 253.350 -0.971 20 30 CBEDRP CC[NH2+]CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001262034486 826626568 /nfs/dbraw/zinc/62/65/68/826626568.db2.gz FMNAFAYWUCCNET-QWKFWESOSA-N 2 0 250.346 -0.149 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1C[C@@H]3C[C@H]1C[NH2+]3)C2 ZINC001262035533 826627079 /nfs/dbraw/zinc/62/70/79/826627079.db2.gz MUQRXIZLLCMIGF-UVPGHTEXSA-N 2 0 260.341 -0.302 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC001263102899 826738184 /nfs/dbraw/zinc/73/81/84/826738184.db2.gz HZUJHCXWABIDSF-UHFFFAOYSA-N 2 0 258.325 -0.047 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC([NH2+]CCOC)CC1 ZINC001263149235 826743772 /nfs/dbraw/zinc/74/37/72/826743772.db2.gz ZJWDMZNCLNRIRT-UHFFFAOYSA-N 2 0 253.346 -0.564 20 30 CBEDRP C#CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264079069 826798433 /nfs/dbraw/zinc/79/84/33/826798433.db2.gz WZMNACUFPJGDKC-HUUCEWRRSA-N 2 0 293.411 -0.001 20 30 CBEDRP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001264633883 826814837 /nfs/dbraw/zinc/81/48/37/826814837.db2.gz HKRXLMVCFOTRKY-AWEZNQCLSA-N 2 0 281.400 -0.143 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](C)CC(N)=O)CC1 ZINC001265072666 826846792 /nfs/dbraw/zinc/84/67/92/826846792.db2.gz BHANTHSGEQKSBN-UHFFFAOYSA-N 2 0 294.399 -0.745 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCO)C2CC2)CC1 ZINC001266621728 827032223 /nfs/dbraw/zinc/03/22/23/827032223.db2.gz IPRULMZJWXLISU-UHFFFAOYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001266637928 827037262 /nfs/dbraw/zinc/03/72/62/827037262.db2.gz ALLOSHCQAICTAH-JOCQHMNTSA-N 2 0 292.383 -0.932 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266673926 827045709 /nfs/dbraw/zinc/04/57/09/827045709.db2.gz HDVRPVOGYAQRMU-FRRDWIJNSA-N 2 0 292.383 -0.933 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266951198 827094226 /nfs/dbraw/zinc/09/42/26/827094226.db2.gz RTGGHOWXGHJDTM-OCCSQVGLSA-N 2 0 296.415 -0.584 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001266970981 827099777 /nfs/dbraw/zinc/09/97/77/827099777.db2.gz ISXYPBNALFUNBW-NEPJUHHUSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001267458911 827174208 /nfs/dbraw/zinc/17/42/08/827174208.db2.gz MNTZLRVSQNHYFG-AWEZNQCLSA-N 2 0 296.415 -0.630 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268317276 827295312 /nfs/dbraw/zinc/29/53/12/827295312.db2.gz QEMWVMVVHDUIHH-NWDGAFQWSA-N 2 0 253.346 -0.829 20 30 CBEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268315495 827295411 /nfs/dbraw/zinc/29/54/11/827295411.db2.gz BTHKPDJFUMOFEF-VXGBXAGGSA-N 2 0 255.362 -0.277 20 30 CBEDRP C=CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268315492 827295657 /nfs/dbraw/zinc/29/56/57/827295657.db2.gz BTHKPDJFUMOFEF-NWDGAFQWSA-N 2 0 255.362 -0.277 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)CC1CC[NH+](C)CC1 ZINC001268322855 827299464 /nfs/dbraw/zinc/29/94/64/827299464.db2.gz FRGQGAVYOMNINO-AWEZNQCLSA-N 2 0 281.400 -0.192 20 30 CBEDRP CC[C@@H](C(=O)NC[C@H](O)C[NH2+]CC#CCOC)[NH+](C)C ZINC001268330498 827304365 /nfs/dbraw/zinc/30/43/65/827304365.db2.gz KQTDFGJEPSNYIX-OLZOCXBDSA-N 2 0 285.388 -0.957 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)CC[N@@H+](C)CC ZINC001268329672 827304394 /nfs/dbraw/zinc/30/43/94/827304394.db2.gz WOJBJYCDPYOMTP-GFCCVEGCSA-N 2 0 255.362 -0.582 20 30 CBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)C12CC[NH+](CC1)C2 ZINC001268332323 827306449 /nfs/dbraw/zinc/30/64/49/827306449.db2.gz YJEYLEWKEYATRX-LBPRGKRZSA-N 2 0 267.373 -0.275 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001272434816 827797181 /nfs/dbraw/zinc/79/71/81/827797181.db2.gz KVBFNUAVXYJAEZ-NSHDSACASA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001272453981 827801275 /nfs/dbraw/zinc/80/12/75/827801275.db2.gz MKIWAFAWUGLYDV-ZDUSSCGKSA-N 2 0 279.384 -0.438 20 30 CBEDRP C=CCC[NH2+]C[C@@H](O)CNC(=O)C[NH+]1CCCC1 ZINC001272585882 827826266 /nfs/dbraw/zinc/82/62/66/827826266.db2.gz XUYKRKGFRCFXMP-GFCCVEGCSA-N 2 0 255.362 -0.275 20 30 CBEDRP C#CCCC[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001273542728 827910342 /nfs/dbraw/zinc/91/03/42/827910342.db2.gz ZDRABOFUUNXHQO-UHFFFAOYSA-N 2 0 279.384 -0.125 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001274521843 827996569 /nfs/dbraw/zinc/99/65/69/827996569.db2.gz ZRGXQCKCVBYPDH-ZIAGYGMSSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278017890 828231853 /nfs/dbraw/zinc/23/18/53/828231853.db2.gz QVRMEJDAPVOVQF-STQMWFEESA-N 2 0 294.399 -0.876 20 30 CBEDRP C[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)CN1C(=O)CC[NH+](C)C ZINC001278396656 828268367 /nfs/dbraw/zinc/26/83/67/828268367.db2.gz BPTGHEYDKUOADC-NEPJUHHUSA-N 2 0 295.387 -0.843 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278826225 828292958 /nfs/dbraw/zinc/29/29/58/828292958.db2.gz BAZCFUATIPIMPM-CHWSQXEVSA-N 2 0 267.373 -0.630 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278826226 828293700 /nfs/dbraw/zinc/29/37/00/828293700.db2.gz BAZCFUATIPIMPM-OLZOCXBDSA-N 2 0 267.373 -0.630 20 30 CBEDRP C[C@H]([NH3+])[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001349817071 890899217 /nfs/dbraw/zinc/89/92/17/890899217.db2.gz RSWAHVGHJJCHQM-IPFCXQRISA-N 2 0 250.346 -0.022 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC[NH2+]C1CC1)C2 ZINC001330866313 886603668 /nfs/dbraw/zinc/60/36/68/886603668.db2.gz HBFWWKJYPJUYBW-CVZZAPKMSA-N 2 0 262.357 -0.006 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001331683431 886904677 /nfs/dbraw/zinc/90/46/77/886904677.db2.gz KFEWTOBUCSUDNF-NWDGAFQWSA-N 2 0 253.346 -0.829 20 30 CBEDRP C[NH2+]CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331970531 887072550 /nfs/dbraw/zinc/07/25/50/887072550.db2.gz WESAAUREYMCBGH-AKJDGMEZSA-N 2 0 250.346 -0.196 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCNCC[NH2+]CC2)CCC[NH2+]1 ZINC001342705142 889817793 /nfs/dbraw/zinc/81/77/93/889817793.db2.gz QYBALZDEHGMNSF-CQSZACIVSA-N 2 0 266.389 -0.294 20 30 CBEDRP C[C@@H]1CN2CC[N@@H+]1C[C@H]2C(=O)NCC#CC[NH+](C)C ZINC001347143337 890415815 /nfs/dbraw/zinc/41/58/15/890415815.db2.gz PDITWUYBEFBEPR-OLZOCXBDSA-N 2 0 264.373 -0.944 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1c[nH]cn1 ZINC001128972978 884668876 /nfs/dbraw/zinc/66/88/76/884668876.db2.gz PVRFTUFNPPYXCB-LLVKDONJSA-N 2 0 291.355 -0.814 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCC(O)CC1 ZINC001326062029 884892864 /nfs/dbraw/zinc/89/28/64/884892864.db2.gz HBAICWOWKKBOBR-CYBMUJFWSA-N 2 0 282.388 -0.029 20 30 CBEDRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC001326568518 885068223 /nfs/dbraw/zinc/06/82/23/885068223.db2.gz ZSVPFNCBCYTESU-AXFHLTTASA-N 2 0 254.334 -0.418 20 30 CBEDRP N#CCCCC[C@@H]([NH3+])C(=O)NCCN1CC[NH2+]CC1 ZINC001326784441 885143880 /nfs/dbraw/zinc/14/38/80/885143880.db2.gz QQBPQXXJXBMAFC-GFCCVEGCSA-N 2 0 267.377 -0.581 20 30 CBEDRP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001328155727 885586786 /nfs/dbraw/zinc/58/67/86/885586786.db2.gz LTSLSCCHPPOEPO-ZDUSSCGKSA-N 2 0 279.384 -0.343 20 30 CBEDRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)C#CC2CC[NH2+]CC2)n1 ZINC001328458975 885695680 /nfs/dbraw/zinc/69/56/80/885695680.db2.gz KSLAWTGZJUSVOP-UHFFFAOYSA-N 2 0 289.339 -0.740 20 30 CBEDRP C#CC[NH+]1CCC(CO)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001328559172 885725173 /nfs/dbraw/zinc/72/51/73/885725173.db2.gz TXSMXKSVAFEDPU-AWEZNQCLSA-N 2 0 293.411 -0.096 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001329202502 885965759 /nfs/dbraw/zinc/96/57/59/885965759.db2.gz KYRJKTFYPPETET-NEPJUHHUSA-N 2 0 297.403 -0.551 20 30 CBEDRP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC001330447967 886449175 /nfs/dbraw/zinc/44/91/75/886449175.db2.gz WELKHCYTMUNFIA-ZIAGYGMSSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(N)=O)C1 ZINC001330609444 886501813 /nfs/dbraw/zinc/50/18/13/886501813.db2.gz DQPXXMQXDBZXHU-AVGNSLFASA-N 2 0 292.383 -0.946 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001331630783 886872876 /nfs/dbraw/zinc/87/28/76/886872876.db2.gz JQFCRXRMFYVAES-QWHCGFSZSA-N 2 0 296.415 -0.323 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001331725362 886940167 /nfs/dbraw/zinc/94/01/67/886940167.db2.gz NDBAEDKHMGSVHV-NEPJUHHUSA-N 2 0 257.378 -0.175 20 30 CBEDRP CC[C@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)[NH+](C)C ZINC001331824746 887001295 /nfs/dbraw/zinc/00/12/95/887001295.db2.gz KEELNZWCHQQICQ-QWHCGFSZSA-N 2 0 285.388 -0.957 20 30 CBEDRP C[NH2+]CCOCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331969019 887069660 /nfs/dbraw/zinc/06/96/60/887069660.db2.gz MKDLXVNRYSOCDS-MBHSVXNSSA-N 2 0 280.372 -0.522 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001332491243 887319877 /nfs/dbraw/zinc/31/98/77/887319877.db2.gz SCSNWKRGNKPFIM-NEPJUHHUSA-N 2 0 253.346 -0.877 20 30 CBEDRP CN1CCN(C)[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC001333636475 887729378 /nfs/dbraw/zinc/72/93/78/887729378.db2.gz UBXZAGRLMFRZNO-CQSZACIVSA-N 2 0 278.400 -0.649 20 30 CBEDRP CN(CCC#N)C[C@H](O)C[NH2+]CCN1CC[NH+](C)CC1 ZINC001335350632 888511124 /nfs/dbraw/zinc/51/11/24/888511124.db2.gz FSOQFKZPINXKAK-CQSZACIVSA-N 2 0 283.420 -0.970 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)CC2)CC1 ZINC001336107843 888694741 /nfs/dbraw/zinc/69/47/41/888694741.db2.gz UPKKNPPVJAKBQD-UHFFFAOYSA-N 2 0 293.411 -0.096 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[NH2+]CCC12CCC2 ZINC001340907991 889513601 /nfs/dbraw/zinc/51/36/01/889513601.db2.gz OARQYWLAOBQVMK-IJLUTSLNSA-N 2 0 262.357 -0.006 20 30 CBEDRP C=CC[C@@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001341114720 889544308 /nfs/dbraw/zinc/54/43/08/889544308.db2.gz ADLHEWAEYZZCJE-KBPBESRZSA-N 2 0 267.373 -0.003 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@]([NH3+])(CO)C1 ZINC001341240619 889561618 /nfs/dbraw/zinc/56/16/18/889561618.db2.gz UNIYAUZWUGSEHG-GXSJLCMTSA-N 2 0 261.753 -0.232 20 30 CBEDRP CN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC[N@H+](C)CC1 ZINC001341395537 889588692 /nfs/dbraw/zinc/58/86/92/889588692.db2.gz UKXJETDKGCRITA-UHFFFAOYSA-N 2 0 292.427 -0.305 20 30 CBEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC001345767466 890161117 /nfs/dbraw/zinc/16/11/17/890161117.db2.gz TXIRYWPTGKRSFD-STQMWFEESA-N 2 0 281.404 -0.240 20 30 CBEDRP C[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)N1CC[NH+](C)CC1 ZINC001346089793 890214515 /nfs/dbraw/zinc/21/45/15/890214515.db2.gz XIFZVSDKWHTNCR-QWHCGFSZSA-N 2 0 281.404 -0.240 20 30 CBEDRP C[NH2+]CCOCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001349816521 890899250 /nfs/dbraw/zinc/89/92/50/890899250.db2.gz PDRTUKCTXAPGQE-JVWICGRDSA-N 2 0 294.399 -0.180 20 30 CBEDRP C#C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC001350433190 890985871 /nfs/dbraw/zinc/98/58/71/890985871.db2.gz KJPAVPZPXMIDDU-CVEARBPZSA-N 2 0 295.427 -0.387 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC001351154643 891113795 /nfs/dbraw/zinc/11/37/95/891113795.db2.gz FVKVWZLREVNGDB-TUAOUCFPSA-N 2 0 250.346 -0.006 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC001351154628 891114123 /nfs/dbraw/zinc/11/41/23/891114123.db2.gz FVKVWZLREVNGDB-IJLUTSLNSA-N 2 0 250.346 -0.006 20 30 CBEDRP C=CCCC[C@@H]([NH3+])C(=O)N[C@H]1COC2(C[NH2+]C2)C1 ZINC001354261078 891551030 /nfs/dbraw/zinc/55/10/30/891551030.db2.gz ZVJHFDBVFLZVSD-GHMZBOCLSA-N 2 0 253.346 -0.083 20 30 CBEDRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C[NH+](C)C ZINC001356597977 891782608 /nfs/dbraw/zinc/78/26/08/891782608.db2.gz WLNUPIIWADMYNM-QWHCGFSZSA-N 2 0 256.394 -0.020 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC2(CC1)C[NH2+]CCO2 ZINC001358302284 891989418 /nfs/dbraw/zinc/98/94/18/891989418.db2.gz QUYSVRLZJZNMOV-UHFFFAOYSA-N 2 0 251.330 -0.810 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001502581338 921372193 /nfs/dbraw/zinc/37/21/93/921372193.db2.gz YCBXHUCAXJUMOB-HIFRSBDPSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001507487171 921849559 /nfs/dbraw/zinc/84/95/59/921849559.db2.gz HMVTZUIJPDTDBM-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001507263638 921792758 /nfs/dbraw/zinc/79/27/58/921792758.db2.gz ARMLOWGKBUGUQO-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](CC#C)CC1 ZINC001507265318 921795454 /nfs/dbraw/zinc/79/54/54/921795454.db2.gz QSRLPURAPWQFGX-CQSZACIVSA-N 2 0 277.368 -0.969 20 30 CBEDRP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001480591471 916486083 /nfs/dbraw/zinc/48/60/83/916486083.db2.gz ITINTXSLGXJBSO-QWHCGFSZSA-N 2 0 267.373 -0.318 20 30 CBEDRP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481108730 916720636 /nfs/dbraw/zinc/72/06/36/916720636.db2.gz CSEYLSLEWHNMSF-ZDUSSCGKSA-N 2 0 296.415 -0.322 20 30 CBEDRP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001481876999 917014036 /nfs/dbraw/zinc/01/40/36/917014036.db2.gz YQNSOMTYVCCGDJ-RYUDHWBXSA-N 2 0 295.387 -0.938 20 30 CBEDRP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001482587172 917166743 /nfs/dbraw/zinc/16/67/43/917166743.db2.gz AFDRAUDPGKZEIQ-LBPRGKRZSA-N 2 0 255.362 -0.107 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001482736401 917244939 /nfs/dbraw/zinc/24/49/39/917244939.db2.gz WTBFRNCIDVWTSA-CHWSQXEVSA-N 2 0 267.373 -0.439 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001482736403 917245068 /nfs/dbraw/zinc/24/50/68/917245068.db2.gz WTBFRNCIDVWTSA-QWHCGFSZSA-N 2 0 267.373 -0.439 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483266363 917499393 /nfs/dbraw/zinc/49/93/93/917499393.db2.gz JBTUGJYLQGRCNF-OLZOCXBDSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1C ZINC001484478564 917866823 /nfs/dbraw/zinc/86/68/23/917866823.db2.gz UQUHGWMFVNGBFL-GFCCVEGCSA-N 2 0 255.362 -0.323 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@@H+](C)CC)CCO1 ZINC001484694814 917925903 /nfs/dbraw/zinc/92/59/03/917925903.db2.gz YHVMFIRMYGRAAO-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001484897339 917964089 /nfs/dbraw/zinc/96/40/89/917964089.db2.gz KBKWNQHBQHEXPM-OLZOCXBDSA-N 2 0 296.415 -0.323 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001486004623 918299068 /nfs/dbraw/zinc/29/90/68/918299068.db2.gz OIWASCUJUXTHEU-NSHDSACASA-N 2 0 255.362 -0.277 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001486031061 918323778 /nfs/dbraw/zinc/32/37/78/918323778.db2.gz BURGNVPTYFXOSY-UONOGXRCSA-N 2 0 299.415 -0.711 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001486053202 918344608 /nfs/dbraw/zinc/34/46/08/918344608.db2.gz WCCDCIDLMICYGT-VXGBXAGGSA-N 2 0 255.362 -0.419 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)CC[NH+]1CCCCC1 ZINC001486066602 918353599 /nfs/dbraw/zinc/35/35/99/918353599.db2.gz QYRWBKPXSGQLNG-CQSZACIVSA-N 2 0 281.400 -0.048 20 30 CBEDRP COCC#CC[NH2+][C@H](CO)CNC(=O)C[N@H+](C)C(C)C ZINC001486066606 918354486 /nfs/dbraw/zinc/35/44/86/918354486.db2.gz QZNCCDMHXSOZIU-ZDUSSCGKSA-N 2 0 285.388 -0.957 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001486067278 918354981 /nfs/dbraw/zinc/35/49/81/918354981.db2.gz XPTZGUCZXRRCIG-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001486067275 918355746 /nfs/dbraw/zinc/35/57/46/918355746.db2.gz XPTZGUCZXRRCIG-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCO)C2)CC1 ZINC001490856745 918979899 /nfs/dbraw/zinc/97/98/99/918979899.db2.gz LGPYDBZYHMLCLA-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001490940864 918994614 /nfs/dbraw/zinc/99/46/14/918994614.db2.gz JFNWUIYZESEATC-JOCQHMNTSA-N 2 0 279.384 -0.033 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCO)C2)CC1 ZINC001491079518 919025524 /nfs/dbraw/zinc/02/55/24/919025524.db2.gz CXJAXKTYDQCNHI-GASCZTMLSA-N 2 0 293.411 -0.049 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CC(=O)NC)CC1 ZINC001491683270 919250083 /nfs/dbraw/zinc/25/00/83/919250083.db2.gz RGKDRQARWGMUOD-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001493793832 919620994 /nfs/dbraw/zinc/62/09/94/919620994.db2.gz NHFFZZLYSXJRQY-OLZOCXBDSA-N 2 0 296.415 -0.323 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]C[C@@H](C)O)CC1 ZINC001493805961 919625810 /nfs/dbraw/zinc/62/58/10/919625810.db2.gz CBJCRLDESHQPTF-CYBMUJFWSA-N 2 0 281.400 -0.240 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001497833655 920405942 /nfs/dbraw/zinc/40/59/42/920405942.db2.gz OXWBUIHKUYTDFB-OCCSQVGLSA-N 2 0 296.415 -0.584 20 30 CBEDRP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001497969479 920428923 /nfs/dbraw/zinc/42/89/23/920428923.db2.gz XBHUFBFQGCYGPT-DGCLKSJQSA-N 2 0 297.403 -0.693 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001498114298 920486445 /nfs/dbraw/zinc/48/64/45/920486445.db2.gz GHUODVWHDFAZFF-XQQFMLRXSA-N 2 0 296.415 -0.441 20 30 CBEDRP C#CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001500762219 920876378 /nfs/dbraw/zinc/87/63/78/920876378.db2.gz DSGIJRZCFZCQQG-UKRRQHHQSA-N 2 0 279.384 -0.486 20 30 CBEDRP C[C@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969003 922329233 /nfs/dbraw/zinc/32/92/33/922329233.db2.gz HRFNITHRRUOZPJ-QWHCGFSZSA-N 2 0 291.399 -0.521 20 30 CBEDRP COC[C@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001523587272 922600060 /nfs/dbraw/zinc/60/00/60/922600060.db2.gz UDDJNLBAMRSLDJ-MNOVXSKESA-N 2 0 254.334 -0.546 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC001556641929 924071869 /nfs/dbraw/zinc/07/18/69/924071869.db2.gz TUTVUXUHHXAYFY-UHFFFAOYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430619021 354250777 /nfs/dbraw/zinc/25/07/77/354250777.db2.gz YPJCRMQFJARVSR-CYBMUJFWSA-N 2 0 294.399 -0.568 20 30 CBEDRP C=CCN1CC[C@H](N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)C1=O ZINC000519426530 354561899 /nfs/dbraw/zinc/56/18/99/354561899.db2.gz LJKXCRJPULGDOF-TUAOUCFPSA-N 2 0 278.356 -0.983 20 30 CBEDRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]2C1 ZINC000332659324 283086873 /nfs/dbraw/zinc/08/68/73/283086873.db2.gz AXNGAMURSGCMQU-UPJWGTAASA-N 2 0 280.372 -0.061 20 30 CBEDRP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCOCC[NH2+]C ZINC000600726602 355563354 /nfs/dbraw/zinc/56/33/54/355563354.db2.gz IBVVKDGJOSAQDP-NSHDSACASA-N 2 0 286.376 -0.446 20 30 CBEDRP C[C@H]1CN(CC(=O)N2CCN(C)CC2)C[C@H](C)N1CC#N ZINC000602856797 355676630 /nfs/dbraw/zinc/67/66/30/355676630.db2.gz NPPMRAIZSOJLTQ-KBPBESRZSA-N 2 0 293.415 -0.321 20 30 CBEDRP C=CCN1CC[C@@H]([N@@H+](C)CCOCC[NH2+]C)C1=O ZINC000629572395 356781007 /nfs/dbraw/zinc/78/10/07/356781007.db2.gz RSDZAYOANMKIJO-GFCCVEGCSA-N 2 0 255.362 -0.059 20 30 CBEDRP C=CC[C@]1(C(=O)NC[C@@H]2COCC[NH2+]2)CCC[NH2+]1 ZINC000638613550 357505186 /nfs/dbraw/zinc/50/51/86/357505186.db2.gz YKRAGHMUJURIDY-DGCLKSJQSA-N 2 0 253.346 -0.211 20 30 CBEDRP [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000178986905 283261627 /nfs/dbraw/zinc/26/16/27/283261627.db2.gz HKPBYMOLUJCIAC-VXGBXAGGSA-N 2 0 267.377 -0.931 20 30 CBEDRP C=CCNC(=O)NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000044530170 220192655 /nfs/dbraw/zinc/19/26/55/220192655.db2.gz OCSJWGZMUYNMHY-JTQLQIEISA-N 2 0 254.334 -0.331 20 30 CBEDRP C=CCN1CC[C@H]([N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)C1=O ZINC000515236032 373778979 /nfs/dbraw/zinc/77/89/79/373778979.db2.gz RNKQGXFQCRDYLC-STQMWFEESA-N 2 0 294.399 -0.440 20 30 CBEDRP COCC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000261975501 220246347 /nfs/dbraw/zinc/24/63/47/220246347.db2.gz FWOODOVRZPTSPI-GFCCVEGCSA-N 2 0 270.377 -0.256 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCN2CCC([NH+](C)C)CC2)N1 ZINC000261858172 220246752 /nfs/dbraw/zinc/24/67/52/220246752.db2.gz ACCIRIQDEFZRST-LLVKDONJSA-N 2 0 253.394 -0.050 20 30 CBEDRP C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCO[C@H](COC)C1 ZINC000262018875 220247564 /nfs/dbraw/zinc/24/75/64/220247564.db2.gz VXTQWEZSPQCOPW-STQMWFEESA-N 2 0 284.404 -0.139 20 30 CBEDRP C[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000262259216 220247905 /nfs/dbraw/zinc/24/79/05/220247905.db2.gz DJWLGVZDYOTREA-GFCCVEGCSA-N 2 0 279.388 -0.404 20 30 CBEDRP C[NH+]=C(NC[C@@H](O)c1cnn(C)c1)NC[C@H]1CCC[N@@H+]1C ZINC000262452007 220251824 /nfs/dbraw/zinc/25/18/24/220251824.db2.gz UUDACHLRDLCBPW-CHWSQXEVSA-N 2 0 294.403 -0.287 20 30 CBEDRP C[NH+]=C(NC[C@@H]1COCCO1)N[C@@H]1CCN(C2CC2)C1 ZINC000262773486 220257141 /nfs/dbraw/zinc/25/71/41/220257141.db2.gz KHZQUQAEMNXEQR-DGCLKSJQSA-N 2 0 282.388 -0.197 20 30 CBEDRP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCC(O)CC1 ZINC000262825333 220258546 /nfs/dbraw/zinc/25/85/46/220258546.db2.gz ZPKGEMHJSZADQP-LBPRGKRZSA-N 2 0 281.404 -0.982 20 30 CBEDRP NC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264100187 220263329 /nfs/dbraw/zinc/26/33/29/220263329.db2.gz NWSKUIINTZERLC-UHFFFAOYSA-N 3 0 262.361 -0.133 20 30 CBEDRP C#CC[NH+](C)CCCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000491393906 420311909 /nfs/dbraw/zinc/31/19/09/420311909.db2.gz JWCDPJLFVYRYFW-CQSZACIVSA-N 2 0 296.415 -0.039 20 30 CBEDRP C#CCN(C)CCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000491630470 420313181 /nfs/dbraw/zinc/31/31/81/420313181.db2.gz PFRQZFMICDRRGM-OAHLLOKOSA-N 2 0 282.432 -0.861 20 30 CBEDRP [NH2+]=C(NCC(=O)NCC[NH+]1CCCCCC1)N1CCC1 ZINC000263074549 279551279 /nfs/dbraw/zinc/55/12/79/279551279.db2.gz HBYSWJVBPDTXCP-UHFFFAOYSA-N 2 0 281.404 -0.001 20 30 CBEDRP CC1(C)CN(CCNC(=[NH2+])N2CCOCC2)CCO1 ZINC000170912833 329072284 /nfs/dbraw/zinc/07/22/84/329072284.db2.gz PMSWFNKCMPXGSP-UHFFFAOYSA-N 2 0 270.377 -0.256 20 30 CBEDRP C=CCC[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000583203739 329363144 /nfs/dbraw/zinc/36/31/44/329363144.db2.gz JGLISVANIPAOOF-KBPBESRZSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@@H](C)CC)CC1 ZINC000491144234 332155839 /nfs/dbraw/zinc/15/58/39/332155839.db2.gz HSRJLTQNBGSSSU-AWEZNQCLSA-N 2 0 281.400 -0.143 20 30 CBEDRP C#CCN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000491464841 332216970 /nfs/dbraw/zinc/21/69/70/332216970.db2.gz UIBIHQDBJCQNPZ-UHFFFAOYSA-N 2 0 282.388 -0.970 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000491767645 332335323 /nfs/dbraw/zinc/33/53/23/332335323.db2.gz JFCQNYUAXBEDST-AWEZNQCLSA-N 2 0 281.400 -0.048 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000491784463 332347530 /nfs/dbraw/zinc/34/75/30/332347530.db2.gz POCZOCPOXNFILX-ZDUSSCGKSA-N 2 0 294.399 -0.697 20 30 CBEDRP C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000823123604 582659136 /nfs/dbraw/zinc/65/91/36/582659136.db2.gz CGMMOGYUZIVRJD-CYBMUJFWSA-N 2 0 269.389 -0.024 20 30 CBEDRP COCC[N@H+](C)CCCNC(=[NH2+])N1CCOCC1 ZINC000104173040 582113099 /nfs/dbraw/zinc/11/30/99/582113099.db2.gz NEKOBHVYUVELML-UHFFFAOYSA-N 2 0 258.366 -0.398 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000764510612 582323765 /nfs/dbraw/zinc/32/37/65/582323765.db2.gz WRGRRKVFKFDPFG-ZDUSSCGKSA-N 2 0 268.405 -0.144 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000834484144 583124706 /nfs/dbraw/zinc/12/47/06/583124706.db2.gz FEKNSEAZNJEBGX-VXGBXAGGSA-N 2 0 250.346 -0.006 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000834485625 583124961 /nfs/dbraw/zinc/12/49/61/583124961.db2.gz ZNORFALJRPQDDH-FRRDWIJNSA-N 2 0 258.325 -0.216 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000841909785 583176623 /nfs/dbraw/zinc/17/66/23/583176623.db2.gz HUOXVUSHCGTTBL-OLZOCXBDSA-N 2 0 282.388 -0.301 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000843460234 583221561 /nfs/dbraw/zinc/22/15/61/583221561.db2.gz ZNORFALJRPQDDH-XQQFMLRXSA-N 2 0 258.325 -0.216 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000844037588 583245643 /nfs/dbraw/zinc/24/56/43/583245643.db2.gz KEQKDHBPLABXLV-GFCCVEGCSA-N 2 0 282.388 -0.317 20 30 CBEDRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000846313227 583358690 /nfs/dbraw/zinc/35/86/90/583358690.db2.gz LAFGJJDIWABZJK-CMPLNLGQSA-N 2 0 291.359 -0.322 20 30 CBEDRP C[NH+]=C(NCCC[NH+]1CCCC1)NCCN1CCOCC1 ZINC000848982654 583464012 /nfs/dbraw/zinc/46/40/12/583464012.db2.gz QVPDAKQVTKYRCK-UHFFFAOYSA-N 2 0 297.447 -0.031 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH+](C)C ZINC000848981703 583464136 /nfs/dbraw/zinc/46/41/36/583464136.db2.gz UWKYXJUJVZHGNP-UHFFFAOYSA-N 2 0 285.436 -0.176 20 30 CBEDRP C[C@H]1C[NH+]=C(NCCCC[NH+]2CCN(C)CC2)N1 ZINC000848989521 583464714 /nfs/dbraw/zinc/46/47/14/583464714.db2.gz WJGZXVLMLVCQPE-LBPRGKRZSA-N 2 0 253.394 -0.049 20 30 CBEDRP C[C@@H]1C[NH+]=C(NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)N1 ZINC000849001319 583466425 /nfs/dbraw/zinc/46/64/25/583466425.db2.gz PJRMCLWMFKOHEE-NEPJUHHUSA-N 2 0 281.404 -0.134 20 30 CBEDRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC1=[NH+]CCN1C ZINC000849001312 583466467 /nfs/dbraw/zinc/46/64/67/583466467.db2.gz PELNSEUUBJGMFW-GFCCVEGCSA-N 2 0 281.404 -0.180 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852827680 583557245 /nfs/dbraw/zinc/55/72/45/583557245.db2.gz NICOHMGHGOJEFP-PWSUYJOCSA-N 2 0 289.339 -0.017 20 30 CBEDRP COCC[N@@H+]1CC[C@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852867329 583564216 /nfs/dbraw/zinc/56/42/16/583564216.db2.gz ULERBPCQHPKNAI-AWEZNQCLSA-N 2 0 279.384 -0.174 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852875676 583566103 /nfs/dbraw/zinc/56/61/03/583566103.db2.gz NBBPNHLKBNRUDA-WEDXCCLWSA-N 2 0 276.262 -0.244 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852875675 583566250 /nfs/dbraw/zinc/56/62/50/583566250.db2.gz NBBPNHLKBNRUDA-NQMVMOMDSA-N 2 0 276.262 -0.244 20 30 CBEDRP O=C(C#CC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CCO1 ZINC000852889448 583569321 /nfs/dbraw/zinc/56/93/21/583569321.db2.gz DEKQQTMISZXKBE-GFCCVEGCSA-N 2 0 251.330 -0.906 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000861634315 583773721 /nfs/dbraw/zinc/77/37/21/583773721.db2.gz FBASNYOVEYWVPE-UHFFFAOYSA-N 2 0 282.388 -0.251 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861634991 583773764 /nfs/dbraw/zinc/77/37/64/583773764.db2.gz WQESJSPEESSAHE-GFCCVEGCSA-N 2 0 268.361 -0.771 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861768553 583785402 /nfs/dbraw/zinc/78/54/02/583785402.db2.gz KGWWMIGIOPBLMS-LLVKDONJSA-N 2 0 282.388 -0.441 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+]2CC[C@H](O)C2)CC1 ZINC000863832266 583858904 /nfs/dbraw/zinc/85/89/04/583858904.db2.gz WTBWTIAAXGNQPE-AWEZNQCLSA-N 2 0 279.384 -0.486 20 30 CBEDRP COC[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCCC[NH2+]1 ZINC000876802510 584146715 /nfs/dbraw/zinc/14/67/15/584146715.db2.gz PTNVXQVWPSHPDS-WZRBSPASSA-N 2 0 266.345 -0.627 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847199 584149155 /nfs/dbraw/zinc/14/91/55/584149155.db2.gz IQVRUCZMQLJKPA-NEPJUHHUSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000876847212 584149168 /nfs/dbraw/zinc/14/91/68/584149168.db2.gz IQVRUCZMQLJKPA-VXGBXAGGSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000876847211 584149193 /nfs/dbraw/zinc/14/91/93/584149193.db2.gz IQVRUCZMQLJKPA-RYUDHWBXSA-N 2 0 286.807 -0.038 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876869032 584151375 /nfs/dbraw/zinc/15/13/75/584151375.db2.gz BCUJCORVVPKJIS-ZJUUUORDSA-N 2 0 261.753 -0.049 20 30 CBEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[NH2+]1 ZINC000884032407 584356616 /nfs/dbraw/zinc/35/66/16/584356616.db2.gz QJYQJJTVBWYDLV-JJMZSNKZSA-N 2 0 262.357 -0.054 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000884642619 584392519 /nfs/dbraw/zinc/39/25/19/584392519.db2.gz MWWKEGQKNAUVHD-CYBMUJFWSA-N 2 0 294.399 -0.297 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCO)CC1 ZINC000899731784 584776502 /nfs/dbraw/zinc/77/65/02/584776502.db2.gz KIWMPLKGSZKUEY-UHFFFAOYSA-N 2 0 267.373 -0.628 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000900812332 584828851 /nfs/dbraw/zinc/82/88/51/584828851.db2.gz VDZWFWZQSHIHSP-QWHCGFSZSA-N 2 0 268.405 -0.145 20 30 CBEDRP C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000970231764 612967562 /nfs/dbraw/zinc/96/75/62/612967562.db2.gz YORPONCRBYXHDY-CQSZACIVSA-N 2 0 289.383 -0.118 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373544 613039549 /nfs/dbraw/zinc/03/95/49/613039549.db2.gz HFZFIPZGKXXOKX-CABCVRRESA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C2C[NH+](CCO)C2)CC1 ZINC000970920053 613130834 /nfs/dbraw/zinc/13/08/34/613130834.db2.gz IKMHPVRFCAPKBI-ZDUSSCGKSA-N 2 0 293.411 -0.240 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214403 613301792 /nfs/dbraw/zinc/30/17/92/613301792.db2.gz HDGYHOWCRNOKIJ-KGLIPLIRSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958373242 613302263 /nfs/dbraw/zinc/30/22/63/613302263.db2.gz DSETUSYEFBSFKA-KGLIPLIRSA-N 2 0 279.384 -0.630 20 30 CBEDRP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC000962299017 613312866 /nfs/dbraw/zinc/31/28/66/613312866.db2.gz QFTAWBKKMFOJGL-ITGUQSILSA-N 2 0 259.353 -0.238 20 30 CBEDRP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591448 613829899 /nfs/dbraw/zinc/82/98/99/613829899.db2.gz GZDBTLHTOQXGPD-OLZOCXBDSA-N 2 0 279.384 -0.323 20 30 CBEDRP C#CCN1CCC[C@@H](NC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC000923572941 658333717 /nfs/dbraw/zinc/33/37/17/658333717.db2.gz HUFIVXXFICOLJY-KGLIPLIRSA-N 2 0 279.384 -0.079 20 30 CBEDRP CN1CC[N@H+](C)C[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000262506266 656132730 /nfs/dbraw/zinc/13/27/30/656132730.db2.gz BJTWWMFUTRLXSU-NSHDSACASA-N 2 0 271.434 -0.404 20 30 CBEDRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])NCCOC)CC1 ZINC000303368908 656138624 /nfs/dbraw/zinc/13/86/24/656138624.db2.gz JHMMBWXJDWMOGR-LBPRGKRZSA-N 2 0 271.409 -0.437 20 30 CBEDRP C[C@@H](CNC(=[NH2+])NC1CC1)C[NH+]1CCN(C)CC1 ZINC000303376512 656138766 /nfs/dbraw/zinc/13/87/66/656138766.db2.gz OMWCWYOIVSIZRI-NSHDSACASA-N 2 0 253.394 -0.063 20 30 CBEDRP CC[NH+](CC)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303718945 656139571 /nfs/dbraw/zinc/13/95/71/656139571.db2.gz VNJOZDPGSDGYNU-UHFFFAOYSA-N 2 0 285.436 -0.045 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000303880952 656139631 /nfs/dbraw/zinc/13/96/31/656139631.db2.gz KKSIKSBGFZPLCN-OLZOCXBDSA-N 2 0 285.436 -0.191 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000303880955 656139708 /nfs/dbraw/zinc/13/97/08/656139708.db2.gz KKSIKSBGFZPLCN-STQMWFEESA-N 2 0 285.436 -0.191 20 30 CBEDRP COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000303978326 656139953 /nfs/dbraw/zinc/13/99/53/656139953.db2.gz MFRCGJCSTGQUHZ-VXGBXAGGSA-N 2 0 271.409 -0.439 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NCC1CC[NH+](C)CC1 ZINC000303904201 656140170 /nfs/dbraw/zinc/14/01/70/656140170.db2.gz YTUVPGLQWAOMIU-UHFFFAOYSA-N 2 0 297.447 -0.175 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000303910750 656140494 /nfs/dbraw/zinc/14/04/94/656140494.db2.gz ZDWWEDLVKZDABG-UHFFFAOYSA-N 2 0 285.461 -0.013 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CCC[N@H+](C)C1 ZINC000304685419 656140888 /nfs/dbraw/zinc/14/08/88/656140888.db2.gz GAVBGXWSMXVXNS-AWEZNQCLSA-N 2 0 297.447 -0.175 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NCCN1CCC([NH+](C)C)CC1 ZINC000304690337 656141049 /nfs/dbraw/zinc/14/10/49/656141049.db2.gz HBIGVDGZPNIRQZ-LBPRGKRZSA-N 2 0 285.436 -0.048 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC[C@@H](C(N)=O)O1 ZINC000305076246 656141621 /nfs/dbraw/zinc/14/16/21/656141621.db2.gz LCMFFAURFOCUEU-WOPDTQHZSA-N 2 0 297.403 -0.592 20 30 CBEDRP C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905448971 656357762 /nfs/dbraw/zinc/35/77/62/656357762.db2.gz CCOSBPPHYLUCRW-KGLIPLIRSA-N 2 0 271.405 -0.489 20 30 CBEDRP C#CCN1CCC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905462248 656358406 /nfs/dbraw/zinc/35/84/06/656358406.db2.gz SXRRWFZEMHQSCY-CVEARBPZSA-N 2 0 294.443 -0.718 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000908436320 656727411 /nfs/dbraw/zinc/72/74/11/656727411.db2.gz PCZOWFCQPLWJNX-OCCSQVGLSA-N 2 0 267.373 -0.487 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000911236281 656993501 /nfs/dbraw/zinc/99/35/01/656993501.db2.gz OTZRKGTTXSOSRI-LBPRGKRZSA-N 2 0 294.399 -0.297 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911871402 657150844 /nfs/dbraw/zinc/15/08/44/657150844.db2.gz TZVZJMQJWHCGQD-UHFFFAOYSA-N 2 0 253.346 -0.434 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CC(N)=O)C2)CC1 ZINC001019814253 657946952 /nfs/dbraw/zinc/94/69/52/657946952.db2.gz VYCGQTSQNPFLDE-ZDUSSCGKSA-N 2 0 292.383 -0.993 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001020405981 658046839 /nfs/dbraw/zinc/04/68/39/658046839.db2.gz HJHKTZIGBQXSQX-JGNFHWBKSA-N 2 0 289.379 -0.280 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C ZINC000922629352 658065099 /nfs/dbraw/zinc/06/50/99/658065099.db2.gz JEJJIUXWNNHAIB-LBPRGKRZSA-N 2 0 252.362 -0.055 20 30 CBEDRP C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001020719523 658083982 /nfs/dbraw/zinc/08/39/82/658083982.db2.gz LGYJMUOVMNYRKI-HDJSIYSDSA-N 2 0 289.383 -0.072 20 30 CBEDRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC#CCO ZINC000923778774 658490674 /nfs/dbraw/zinc/49/06/74/658490674.db2.gz CSWFXHGTEWDFCR-UHFFFAOYSA-N 2 0 270.377 -0.883 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000928655099 659060206 /nfs/dbraw/zinc/06/02/06/659060206.db2.gz RASMFQKLSSTHIS-OAHLLOKOSA-N 2 0 290.411 -0.410 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000723672030 790801756 /nfs/dbraw/zinc/80/17/56/790801756.db2.gz IVPJESWRPDWWNL-SNVBAGLBSA-N 2 0 254.334 -0.331 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723900578 790802625 /nfs/dbraw/zinc/80/26/25/790802625.db2.gz KHFQAUVEEJNWIU-GHMZBOCLSA-N 2 0 268.361 -0.085 20 30 CBEDRP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001077571526 805750138 /nfs/dbraw/zinc/75/01/38/805750138.db2.gz PCQINYOLKWIMIY-BYNSBNAKSA-N 2 0 293.411 -0.099 20 30 CBEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274802 806244708 /nfs/dbraw/zinc/24/47/08/806244708.db2.gz AFALNRZZADVJTM-QLFBSQMISA-N 2 0 291.395 -0.127 20 30 CBEDRP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001083466376 806335046 /nfs/dbraw/zinc/33/50/46/806335046.db2.gz RFRJRQYSOPAUHG-ZNMIVQPWSA-N 2 0 291.395 -0.487 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]C[C@@H](C)O)C2)CC1 ZINC001023128179 798884974 /nfs/dbraw/zinc/88/49/74/798884974.db2.gz SOLKOPBHYDMLFD-YUELXQCFSA-N 2 0 293.411 -0.051 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CCO)C2)CC1 ZINC001033684616 799781300 /nfs/dbraw/zinc/78/13/00/799781300.db2.gz PBHCKNOVRCCYMD-HNNXBMFYSA-N 2 0 293.411 -0.143 20 30 CBEDRP C=CCCN1CCO[C@H](CNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001035325866 799890767 /nfs/dbraw/zinc/89/07/67/799890767.db2.gz DLJAWXASIAQJTE-KGLIPLIRSA-N 2 0 297.399 -0.290 20 30 CBEDRP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001047528824 801893321 /nfs/dbraw/zinc/89/33/21/801893321.db2.gz DFBMDNDPEFFDFC-IHRRRGAJSA-N 2 0 279.384 -0.535 20 30 CBEDRP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001047596692 801908885 /nfs/dbraw/zinc/90/88/85/801908885.db2.gz XEGQDZUOSCOPCS-KKUMJFAQSA-N 2 0 293.411 -0.145 20 30 CBEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213320 802005837 /nfs/dbraw/zinc/00/58/37/802005837.db2.gz MLUOEEJBXVBIRB-MCIONIFRSA-N 2 0 261.369 -0.039 20 30 CBEDRP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001049213329 802006108 /nfs/dbraw/zinc/00/61/08/802006108.db2.gz MLUOEEJBXVBIRB-MELADBBJSA-N 2 0 261.369 -0.039 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001133834108 814304706 /nfs/dbraw/zinc/30/47/06/814304706.db2.gz OFJKCFXRCPFGTF-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP CCC[N@H+](C)CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001148570396 814950567 /nfs/dbraw/zinc/95/05/67/814950567.db2.gz CQQQNHARBJKYPH-UHFFFAOYSA-N 2 0 283.376 -0.936 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CCC ZINC001148655613 814956000 /nfs/dbraw/zinc/95/60/00/814956000.db2.gz PNWAHFMHCJZVGH-GFCCVEGCSA-N 2 0 282.388 -0.828 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322080478 803858240 /nfs/dbraw/zinc/85/82/40/803858240.db2.gz UJVWEOMSCKZOSX-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)CCC)C1 ZINC001325154784 804249554 /nfs/dbraw/zinc/24/95/54/804249554.db2.gz WFLLSEWIIFEHLP-HNNXBMFYSA-N 2 0 281.400 -0.096 20 30 CBEDRP N#CCCN1CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001160482297 815627821 /nfs/dbraw/zinc/62/78/21/815627821.db2.gz FPILKBLVCZQCEO-NSHDSACASA-N 2 0 253.350 -0.890 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCCC1 ZINC001151114269 815062883 /nfs/dbraw/zinc/06/28/83/815062883.db2.gz HTSGVXHRMFJXTK-UHFFFAOYSA-N 2 0 268.361 -0.910 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[NH2+]C[C@H](C)O)CC1 ZINC001152324354 815115394 /nfs/dbraw/zinc/11/53/94/815115394.db2.gz RRHJAOANONLTFE-LBPRGKRZSA-N 2 0 267.373 -0.582 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152427199 815121013 /nfs/dbraw/zinc/12/10/13/815121013.db2.gz UOHXXBSMTVGPFW-UHFFFAOYSA-N 2 0 255.362 -0.318 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152446332 815122724 /nfs/dbraw/zinc/12/27/24/815122724.db2.gz XRNVQMDFXJWZRZ-LBPRGKRZSA-N 2 0 284.404 -0.277 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001155822368 815315039 /nfs/dbraw/zinc/31/50/39/815315039.db2.gz OTJXYYCAQQLGEO-STQMWFEESA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090731626 810560452 /nfs/dbraw/zinc/56/04/52/810560452.db2.gz UBPCEWANPHWWIP-ZIAGYGMSSA-N 2 0 291.395 -0.343 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001090729998 810560586 /nfs/dbraw/zinc/56/05/86/810560586.db2.gz DIABUFUEWUCCPV-KGLIPLIRSA-N 2 0 291.395 -0.343 20 30 CBEDRP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001090815076 810570294 /nfs/dbraw/zinc/57/02/94/810570294.db2.gz MIDZRXDHMQPJCR-OLZOCXBDSA-N 2 0 267.373 -0.180 20 30 CBEDRP N#Cc1c2c(cnc1-n1nnc(CC[NH3+])n1)C[NH2+]CCC2 ZINC001156985876 815395564 /nfs/dbraw/zinc/39/55/64/815395564.db2.gz ONDKBABPUFMHFC-UHFFFAOYSA-N 2 0 284.327 -0.534 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973470 810981355 /nfs/dbraw/zinc/98/13/55/810981355.db2.gz DPLOELCLOJTLFX-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099972543 810981543 /nfs/dbraw/zinc/98/15/43/810981543.db2.gz YKEYADAHEZLZNT-KBPBESRZSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974117 810981570 /nfs/dbraw/zinc/98/15/70/810981570.db2.gz NNMGBFZOCUXLIP-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H](O)C1 ZINC001100067790 811012777 /nfs/dbraw/zinc/01/27/77/811012777.db2.gz XWGMRDZJVUBJEU-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C=CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100074835 811015550 /nfs/dbraw/zinc/01/55/50/811015550.db2.gz UDLHEPBYGHALSH-CHWSQXEVSA-N 2 0 285.388 -0.698 20 30 CBEDRP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100081465 811018143 /nfs/dbraw/zinc/01/81/43/811018143.db2.gz SUBRYPNSSCWDEL-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100131404 811026709 /nfs/dbraw/zinc/02/67/09/811026709.db2.gz CMTXWSQJGROTHK-KGLIPLIRSA-N 2 0 281.400 -0.099 20 30 CBEDRP C[NH+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100636666 811069726 /nfs/dbraw/zinc/06/97/26/811069726.db2.gz DWIRFOAURXSTNH-UHFFFAOYSA-N 2 0 295.387 -0.938 20 30 CBEDRP N#Cc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H](F)[C@@H]([NH3+])C2)c1 ZINC001157536249 815442573 /nfs/dbraw/zinc/44/25/73/815442573.db2.gz JRHUHKSYAIVXJM-AGIUHOORSA-N 2 0 276.315 -0.064 20 30 CBEDRP N#C[C@@H]1CNCCN1C(=O)[C@@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001157983259 815494425 /nfs/dbraw/zinc/49/44/25/815494425.db2.gz ZWASHNAMNVPJMO-NEPJUHHUSA-N 2 0 277.372 -0.815 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC001118200530 812494497 /nfs/dbraw/zinc/49/44/97/812494497.db2.gz FDONNWSQLNEUAJ-CHWSQXEVSA-N 2 0 279.388 -0.486 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC[C@@]23C[NH2+]C[C@@H](C[C@H]2C1)O3 ZINC001158546292 815538350 /nfs/dbraw/zinc/53/83/50/815538350.db2.gz JPUWVIZVSNDJCT-UZGDPCLZSA-N 2 0 263.341 -0.684 20 30 CBEDRP C#CC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158486183 815535422 /nfs/dbraw/zinc/53/54/22/815535422.db2.gz HJNULJBPAOCRRB-STQMWFEESA-N 2 0 265.357 -0.421 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507035 815536178 /nfs/dbraw/zinc/53/61/78/815536178.db2.gz OOGIYDMDMPBNFS-UONOGXRCSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CCC[NH2+]CCCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001158507057 815536669 /nfs/dbraw/zinc/53/66/69/815536669.db2.gz OYUQMBPPQZLQIG-KBPBESRZSA-N 2 0 279.384 -0.031 20 30 CBEDRP CC#CC[NH2+]CCCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001158507036 815536773 /nfs/dbraw/zinc/53/67/73/815536773.db2.gz OOGIYDMDMPBNFS-ZIAGYGMSSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1C[C@@H](CF)[C@H](C2([NH3+])CC2)C1 ZINC001158576815 815539668 /nfs/dbraw/zinc/53/96/68/815539668.db2.gz DWIVBLUYZTUUTC-FOGDFJRCSA-N 2 0 253.321 -0.128 20 30 CBEDRP C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC001120573342 812994421 /nfs/dbraw/zinc/99/44/21/812994421.db2.gz CPBNLNJFVCVSMH-HUUCEWRRSA-N 2 0 297.447 -0.582 20 30 CBEDRP C=CC[C@@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001122062970 813110725 /nfs/dbraw/zinc/11/07/25/813110725.db2.gz HBAMBJBAYJYDLY-RISCZKNCSA-N 2 0 265.357 -0.068 20 30 CBEDRP COC[C@H]1C[NH2+]CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC001122330742 813148461 /nfs/dbraw/zinc/14/84/61/813148461.db2.gz HQXSCBKHLSUVKK-VXGBXAGGSA-N 2 0 268.361 -0.156 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001159915281 815604592 /nfs/dbraw/zinc/60/45/92/815604592.db2.gz IUMHXDMRDXZNMG-AWEZNQCLSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001124877599 813495043 /nfs/dbraw/zinc/49/50/43/813495043.db2.gz HCDNBGPLXXXLQL-OLZOCXBDSA-N 2 0 294.399 -0.427 20 30 CBEDRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127067117 813710371 /nfs/dbraw/zinc/71/03/71/813710371.db2.gz WVEIZUCOZQBXQG-LBPRGKRZSA-N 2 0 295.387 -0.795 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001127660338 813742507 /nfs/dbraw/zinc/74/25/07/813742507.db2.gz WOWRVNDLXTYVFJ-JHJVBQTASA-N 2 0 296.415 -0.277 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001127785967 813748769 /nfs/dbraw/zinc/74/87/69/813748769.db2.gz SACAQAOXOHERHK-ZIAGYGMSSA-N 2 0 297.399 -0.242 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127779278 813749016 /nfs/dbraw/zinc/74/90/16/813749016.db2.gz KPIJFPKLONUYFB-RYUDHWBXSA-N 2 0 251.330 -0.811 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364142 813840376 /nfs/dbraw/zinc/84/03/76/813840376.db2.gz PXISWSXOQGHVOQ-CQSZACIVSA-N 2 0 279.384 -0.031 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C)C1=O ZINC001130203860 813918619 /nfs/dbraw/zinc/91/86/19/813918619.db2.gz ZVGNXUMUENZPNI-QWHCGFSZSA-N 2 0 296.415 -0.181 20 30 CBEDRP C#CC[NH2+]CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001130230412 813920792 /nfs/dbraw/zinc/92/07/92/813920792.db2.gz KKQHUMNTADQBHA-UHFFFAOYSA-N 2 0 267.373 -0.316 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001130298218 813925375 /nfs/dbraw/zinc/92/53/75/813925375.db2.gz YLSGBGHMWCLVSP-ZDUSSCGKSA-N 2 0 267.373 -0.174 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C(C)(C)[N@@H+](C)CC ZINC001130422168 813939385 /nfs/dbraw/zinc/93/93/85/813939385.db2.gz ZATXLVVWBSZKCG-LBPRGKRZSA-N 2 0 296.415 -0.440 20 30 CBEDRP C#CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132848531 814194274 /nfs/dbraw/zinc/19/42/74/814194274.db2.gz KEEZESKLCNGMKH-CYBMUJFWSA-N 2 0 267.373 -0.175 20 30 CBEDRP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CCC[NH+](C)C)C1=O ZINC001133042869 814211584 /nfs/dbraw/zinc/21/15/84/814211584.db2.gz NFWFBIYXSUZSSI-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133040397 814212978 /nfs/dbraw/zinc/21/29/78/814212978.db2.gz PCXMMSMBILBFIH-UHFFFAOYSA-N 2 0 255.362 -0.316 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C1CC[NH+](C)CC1 ZINC001133286130 814235966 /nfs/dbraw/zinc/23/59/66/814235966.db2.gz YSRQJSCZIXUFAY-LBPRGKRZSA-N 2 0 296.415 -0.275 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001133415853 814252382 /nfs/dbraw/zinc/25/23/82/814252382.db2.gz RBVRRPWSVDVCIA-CYBMUJFWSA-N 2 0 284.404 -0.419 20 30 CBEDRP C[NH+]1CCC(CC(=O)NCC[NH2+]CC(=O)NCC#N)CC1 ZINC001134776395 814412984 /nfs/dbraw/zinc/41/29/84/814412984.db2.gz QSHIOJRPSMKHRO-UHFFFAOYSA-N 2 0 295.387 -0.936 20 30 CBEDRP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CC[NH+](C)C ZINC001135373428 814470060 /nfs/dbraw/zinc/47/00/60/814470060.db2.gz WGOWJQGPFOAPCF-RYUDHWBXSA-N 2 0 297.403 -0.549 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135959623 814540869 /nfs/dbraw/zinc/54/08/69/814540869.db2.gz RKZCDCFPLUZADU-UHFFFAOYSA-N 2 0 297.399 -0.547 20 30 CBEDRP C=CC[N@H+]1CCC[C@H]1CNC(=O)CN(C)C(N)=[NH2+] ZINC001144141158 814773505 /nfs/dbraw/zinc/77/35/05/814773505.db2.gz BEHOMWHMSCFCLK-JTQLQIEISA-N 2 0 253.350 -0.422 20 30 CBEDRP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1CC1 ZINC001159915753 815604694 /nfs/dbraw/zinc/60/46/94/815604694.db2.gz NDJFPDLHBFGXQP-CYBMUJFWSA-N 2 0 295.387 -0.938 20 30 CBEDRP C=CCN1CCN(C(=O)[C@@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160431946 815621366 /nfs/dbraw/zinc/62/13/66/815621366.db2.gz JEBLHUXYOXRAON-LBPRGKRZSA-N 2 0 264.373 -0.874 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC001160483781 815628051 /nfs/dbraw/zinc/62/80/51/815628051.db2.gz WXLZRUSVCOQXGP-ZDUSSCGKSA-N 2 0 281.404 -0.239 20 30 CBEDRP N#C[C@H]1CCCCN1C(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160635848 815646764 /nfs/dbraw/zinc/64/67/64/815646764.db2.gz DXFMACAGJPJDCW-CHWSQXEVSA-N 2 0 279.388 -0.359 20 30 CBEDRP N#C[C@@H]1CCCCN1C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160636504 815647967 /nfs/dbraw/zinc/64/79/67/815647967.db2.gz HVOTXFHAHRXRGI-UWVGGRQHSA-N 2 0 256.375 -0.090 20 30 CBEDRP N#C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)C1 ZINC001160640679 815649294 /nfs/dbraw/zinc/64/92/94/815649294.db2.gz LFWXMUUZNUMRMU-YRGRVCCFSA-N 2 0 262.357 -0.052 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCN[C@H](C#N)C1 ZINC001160650350 815651500 /nfs/dbraw/zinc/65/15/00/815651500.db2.gz AEWNQWPTLPPWMT-NEPJUHHUSA-N 2 0 267.377 -0.630 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001160750744 815666598 /nfs/dbraw/zinc/66/65/98/815666598.db2.gz NDXQDZGIUFHKBK-ZDUSSCGKSA-N 2 0 292.387 -0.607 20 30 CBEDRP N#CCCN(CCC#N)C(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001160749944 815667085 /nfs/dbraw/zinc/66/70/85/815667085.db2.gz BHGQUSAEIOHMGH-JTQLQIEISA-N 2 0 269.374 -0.338 20 30 CBEDRP COCC#CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001160817046 815673288 /nfs/dbraw/zinc/67/32/88/815673288.db2.gz DFIVBBFAYCYKBI-UHFFFAOYSA-N 2 0 255.362 -0.412 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160883225 815683606 /nfs/dbraw/zinc/68/36/06/815683606.db2.gz IAYFZLQSKFZMKS-GFCCVEGCSA-N 2 0 282.388 -0.828 20 30 CBEDRP N#C[C@@H]1CN(C(=O)[C@H]([NH3+])C2CC[NH2+]CC2)CCO1 ZINC001160879634 815684483 /nfs/dbraw/zinc/68/44/83/815684483.db2.gz RTGVJTJIOKKKTK-GHMZBOCLSA-N 2 0 252.318 -0.936 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001160889110 815685733 /nfs/dbraw/zinc/68/57/33/815685733.db2.gz CYFFYLVAAQWQDM-CHWSQXEVSA-N 2 0 296.415 -0.440 20 30 CBEDRP N#C[C@@H]1COCCN1C(=O)C[C@@H]([NH3+])CCCC[NH3+] ZINC001160934094 815687886 /nfs/dbraw/zinc/68/78/86/815687886.db2.gz VVQHHTKNUHBJBM-WDEREUQCSA-N 2 0 254.334 -0.416 20 30 CBEDRP N#C[C@@H]1COCCN1C(=O)[C@H]([NH3+])C1CC[NH2+]CC1 ZINC001160933721 815688629 /nfs/dbraw/zinc/68/86/29/815688629.db2.gz NQAHBWMWWJIRIQ-GHMZBOCLSA-N 2 0 252.318 -0.936 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1 ZINC001161389275 815750068 /nfs/dbraw/zinc/75/00/68/815750068.db2.gz PVOOEVAVTXAUEC-OCCSQVGLSA-N 2 0 265.357 -0.340 20 30 CBEDRP C=C1C[NH2+][C@](C)(C(=O)N2C[C@H]([NH3+])C3(COC3)C2)C1 ZINC001161511337 815766710 /nfs/dbraw/zinc/76/67/10/815766710.db2.gz YUABWGHCBFGYAQ-JQWIXIFHSA-N 2 0 251.330 -0.519 20 30 CBEDRP N#CCc1cc(N[C@@]23CC[NH2+][C@H]2CC(=O)N3)cc[nH+]1 ZINC001163252169 815874186 /nfs/dbraw/zinc/87/41/86/815874186.db2.gz FWGPHPYSJYCFNZ-WCQYABFASA-N 2 0 257.297 -0.440 20 30 CBEDRP C[N@H+](CC(=O)NC1(C#N)CC[NH+](C)CC1)[C@@H]1CCC[C@H]1O ZINC001292879862 816490059 /nfs/dbraw/zinc/49/00/59/816490059.db2.gz CQYWKQQSGWKHDO-CHWSQXEVSA-N 2 0 294.399 -0.064 20 30 CBEDRP C#CCC[NH+]1CCN(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001316967579 816908003 /nfs/dbraw/zinc/90/80/03/816908003.db2.gz FZOKBGOYRDBXHM-UHFFFAOYSA-N 2 0 292.427 -0.161 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCO)CC1 ZINC001317415114 816973972 /nfs/dbraw/zinc/97/39/72/816973972.db2.gz HEXIHPOJHJDXCX-ZDUSSCGKSA-N 2 0 281.400 -0.192 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317627050 817033676 /nfs/dbraw/zinc/03/36/76/817033676.db2.gz RLTQKADMHAHTEL-ZDUSSCGKSA-N 2 0 296.415 -0.322 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001317655091 817040687 /nfs/dbraw/zinc/04/06/87/817040687.db2.gz PYHFFJQOLDLDSO-QWHCGFSZSA-N 2 0 296.415 -0.488 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001317655092 817041174 /nfs/dbraw/zinc/04/11/74/817041174.db2.gz PYHFFJQOLDLDSO-STQMWFEESA-N 2 0 296.415 -0.488 20 30 CBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001320199346 817288598 /nfs/dbraw/zinc/28/85/98/817288598.db2.gz BGUPXOGBCPEJAY-NWDGAFQWSA-N 2 0 255.362 -0.277 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001320217522 817295786 /nfs/dbraw/zinc/29/57/86/817295786.db2.gz OTBQOPJHLYEDMO-OLZOCXBDSA-N 2 0 267.373 -0.441 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001320227672 817298954 /nfs/dbraw/zinc/29/89/54/817298954.db2.gz SQTUBUDYXKQYQW-UONOGXRCSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=C(C)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001320232302 817299842 /nfs/dbraw/zinc/29/98/42/817299842.db2.gz OESHSEDBXUGDNY-UONOGXRCSA-N 2 0 281.400 -0.029 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001320235979 817300913 /nfs/dbraw/zinc/30/09/13/817300913.db2.gz TZCBRERBQUTGMV-CYBMUJFWSA-N 2 0 267.373 -0.439 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001320236553 817301431 /nfs/dbraw/zinc/30/14/31/817301431.db2.gz ALWMYXONAILQLP-CQSZACIVSA-N 2 0 293.411 -0.048 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320296669 817318657 /nfs/dbraw/zinc/31/86/57/817318657.db2.gz VCAKXJVCUDTLNW-OLZOCXBDSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001165252907 819944390 /nfs/dbraw/zinc/94/43/90/819944390.db2.gz BWUIWKRNRSCTGS-UHFFFAOYSA-N 2 0 296.415 -0.274 20 30 CBEDRP C[NH+](C)CC1(C(=O)NCCC[NH2+]CC(=O)NCC#N)CC1 ZINC001165254730 819945121 /nfs/dbraw/zinc/94/51/21/819945121.db2.gz UARJPWQQADRYPT-UHFFFAOYSA-N 2 0 295.387 -0.936 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166668022 820014751 /nfs/dbraw/zinc/01/47/51/820014751.db2.gz OKHOMNQKQFAWCB-ZDUSSCGKSA-N 2 0 296.415 -0.274 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001166866767 820042488 /nfs/dbraw/zinc/04/24/88/820042488.db2.gz UDFKRELYEPNXHI-LBPRGKRZSA-N 2 0 284.404 -0.275 20 30 CBEDRP CC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001170211136 820279772 /nfs/dbraw/zinc/27/97/72/820279772.db2.gz KUQHDJLOOWJOEI-UHFFFAOYSA-N 2 0 283.376 -0.936 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@@H+](C)CC ZINC001170221574 820281929 /nfs/dbraw/zinc/28/19/29/820281929.db2.gz DWXFERPTZUPNFV-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171215413 820350432 /nfs/dbraw/zinc/35/04/32/820350432.db2.gz CFCZXGOFRBMAMD-CYBMUJFWSA-N 2 0 296.415 -0.274 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171757697 820370597 /nfs/dbraw/zinc/37/05/97/820370597.db2.gz NKJRACNOIGBGBS-UHFFFAOYSA-N 2 0 284.404 -0.274 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176063885 820437725 /nfs/dbraw/zinc/43/77/25/820437725.db2.gz IFNHEXRLKZHAJI-OLZOCXBDSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+]1CCCC1 ZINC001176117999 820441598 /nfs/dbraw/zinc/44/15/98/820441598.db2.gz GZPUBDDBVSMPAP-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCCC[NH2+]C[C@H](C)O)CC1 ZINC001176926837 820481890 /nfs/dbraw/zinc/48/18/90/820481890.db2.gz XFTYTHQFXXCOQO-ZDUSSCGKSA-N 2 0 281.400 -0.192 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176980603 820485193 /nfs/dbraw/zinc/48/51/93/820485193.db2.gz LFWXIFWBRNJSIA-UHFFFAOYSA-N 2 0 283.376 -0.938 20 30 CBEDRP NC(=[NH2+])N(CCCC[NH3+])C(=O)C#Cc1ccccn1 ZINC001177806144 820540425 /nfs/dbraw/zinc/54/04/25/820540425.db2.gz WHYNSQPVDKIVSU-UHFFFAOYSA-N 2 0 259.313 -0.106 20 30 CBEDRP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)[C@H]1C ZINC001178414172 820580851 /nfs/dbraw/zinc/58/08/51/820580851.db2.gz GKFFQJQWSCBHPN-IHRRRGAJSA-N 2 0 279.384 -0.081 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001183581844 821007758 /nfs/dbraw/zinc/00/77/58/821007758.db2.gz MLTXOTVLOIJTJP-CHWSQXEVSA-N 2 0 294.399 -0.734 20 30 CBEDRP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001185408377 821128875 /nfs/dbraw/zinc/12/88/75/821128875.db2.gz QNTJWLABTRSLTF-CYBMUJFWSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CCC[NH2+]CCN(CCO)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001279885800 828340852 /nfs/dbraw/zinc/34/08/52/828340852.db2.gz DAEXGVKGEJUKFK-AWEZNQCLSA-N 2 0 281.400 -0.238 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280567259 828361178 /nfs/dbraw/zinc/36/11/78/828361178.db2.gz QVZFXDQNTKGMCE-QWHCGFSZSA-N 2 0 265.357 -0.469 20 30 CBEDRP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001283713487 828535176 /nfs/dbraw/zinc/53/51/76/828535176.db2.gz ILFPQAWAYQVMFA-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001283798491 828549702 /nfs/dbraw/zinc/54/97/02/828549702.db2.gz YDOGFMKDEQEQFN-GFCCVEGCSA-N 2 0 269.389 -0.029 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283798008 828549727 /nfs/dbraw/zinc/54/97/27/828549727.db2.gz UEWKKRHHMZBBQA-MELADBBJSA-N 2 0 281.400 -0.193 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC001283804229 828550502 /nfs/dbraw/zinc/55/05/02/828550502.db2.gz NMXQSSJSNNRMCY-CYBMUJFWSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001284428600 828594438 /nfs/dbraw/zinc/59/44/38/828594438.db2.gz HCCDHRCOIWJXLF-CYBMUJFWSA-N 2 0 279.384 -0.343 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198030348 824214856 /nfs/dbraw/zinc/21/48/56/824214856.db2.gz YJEABFXMOFXCIH-ZIAGYGMSSA-N 2 0 299.415 -0.308 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001209445367 824471928 /nfs/dbraw/zinc/47/19/28/824471928.db2.gz MGAWBCZYTRYWCJ-ZDUSSCGKSA-N 2 0 294.399 -0.732 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1OC[C@@H]1C[C@H]2CC[NH2+]C[C@@H]2O1 ZINC001217832283 824562370 /nfs/dbraw/zinc/56/23/70/824562370.db2.gz NNPWZUWUICBYJV-LBELIVKGSA-N 2 0 251.330 -0.118 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(N)=O)cc1 ZINC001218199887 824563645 /nfs/dbraw/zinc/56/36/45/824563645.db2.gz CNHRKNXCAWXVGT-WXHSDQCUSA-N 2 0 274.324 -0.468 20 30 CBEDRP C#Cc1cc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])ccn1 ZINC001218524988 824582091 /nfs/dbraw/zinc/58/20/91/824582091.db2.gz QNMNRQMBMGWGDK-NSHDSACASA-N 2 0 264.354 -0.558 20 30 CBEDRP N#Cc1c(NC(=O)C[C@H](O)C[NH3+])sc2c1CC[NH2+]C2 ZINC001218554892 824590456 /nfs/dbraw/zinc/59/04/56/824590456.db2.gz XBUWTIVYTLXETM-ZETCQYMHSA-N 2 0 280.353 -0.086 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1[nH]cnc1C#N ZINC001218594515 824602586 /nfs/dbraw/zinc/60/25/86/824602586.db2.gz KKADTYRWBVFUEQ-QMMMGPOBSA-N 2 0 250.306 -0.063 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)Nc1c[nH]nc1C#N ZINC001218655923 824617188 /nfs/dbraw/zinc/61/71/88/824617188.db2.gz MYDDVZXSUHGJQQ-QMMMGPOBSA-N 2 0 250.306 -0.063 20 30 CBEDRP N#Cc1c(N)nn(C(=O)C[C@@H]([NH3+])CCCC[NH3+])c1N ZINC001218659500 824618745 /nfs/dbraw/zinc/61/87/45/824618745.db2.gz HUJHANUKPFGUGL-ZETCQYMHSA-N 2 0 265.321 -0.594 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@@H]([NH3+])CSCC[NH3+] ZINC001218701584 824624605 /nfs/dbraw/zinc/62/46/05/824624605.db2.gz WKJKNEODCYQMJU-QMMMGPOBSA-N 2 0 266.330 -0.694 20 30 CBEDRP N#Cc1ccnnc1NC(=O)[C@H]1C[NH2+]CC12C[NH2+]C2 ZINC001218702629 824624938 /nfs/dbraw/zinc/62/49/38/824624938.db2.gz VDAOIMTUVOKXRA-SECBINFHSA-N 2 0 258.285 -0.904 20 30 CBEDRP C=C(C[NH+]1CCCC1)C(=O)NC[C@]1(O)CC[NH2+]C[C@@H]1F ZINC001219621524 824860768 /nfs/dbraw/zinc/86/07/68/824860768.db2.gz AQDDSSQPUQNJIN-GXTWGEPZSA-N 2 0 285.363 -0.183 20 30 CBEDRP C#CCCCNC(=O)[C@@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001219634090 824868634 /nfs/dbraw/zinc/86/86/34/824868634.db2.gz NEJIGFAZCWEWHL-LBPRGKRZSA-N 2 0 252.362 -0.734 20 30 CBEDRP N#CN=C(NC(=O)[C@H]([NH3+])CCC[NH3+])c1ccncc1 ZINC001219972354 824926151 /nfs/dbraw/zinc/92/61/51/824926151.db2.gz OAICJQVCLSCQAF-SNVBAGLBSA-N 2 0 260.301 -0.508 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@H](CCCC[NH3+])[NH2+]C ZINC001220043225 824941633 /nfs/dbraw/zinc/94/16/33/824941633.db2.gz JWKJJGMMLMHGDP-LBPRGKRZSA-N 2 0 284.404 -0.098 20 30 CBEDRP C=C(C)C(=O)OCCNC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001220124961 824961664 /nfs/dbraw/zinc/96/16/64/824961664.db2.gz RPTDVMRFABRAAM-JTQLQIEISA-N 2 0 267.329 -0.969 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC1CC[NH+](CCCOC)CC1 ZINC001220200477 824985987 /nfs/dbraw/zinc/98/59/87/824985987.db2.gz LKSSMRXUVPSRRH-AWEZNQCLSA-N 2 0 267.373 -0.046 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NCCN1CCC[N@@H+](C)CC1 ZINC001220307107 825010773 /nfs/dbraw/zinc/01/07/73/825010773.db2.gz RYOLLQSFGKVOIC-ZDUSSCGKSA-N 2 0 252.362 -0.909 20 30 CBEDRP C=C[C@@H]1C[C@@]1(NC(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2)C(=O)OCC ZINC001220571632 825065612 /nfs/dbraw/zinc/06/56/12/825065612.db2.gz WHBRNEGZJNSOHK-ZETOZRRWSA-N 2 0 293.367 -0.581 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N[C@H]1CC[NH2+]C[C@@H]1C(F)(F)F ZINC001220804295 825104123 /nfs/dbraw/zinc/10/41/23/825104123.db2.gz NTYDRZUNTCMNGP-NRPADANISA-N 2 0 263.263 -0.006 20 30 CBEDRP C#CCN1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220815129 825105904 /nfs/dbraw/zinc/10/59/04/825105904.db2.gz BKJGRMJVFOUUDO-NEPJUHHUSA-N 2 0 253.346 -0.877 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1CCN2 ZINC001220868755 825116920 /nfs/dbraw/zinc/11/69/20/825116920.db2.gz RXCLEDMTXLZGDQ-IPYPFGDCSA-N 2 0 278.400 -0.296 20 30 CBEDRP N#Cc1cnc(CNC(=O)[C@]23C[NH2+]C[C@H]2C[NH2+]CC3)s1 ZINC001220871917 825117249 /nfs/dbraw/zinc/11/72/49/825117249.db2.gz CPMXNGNGTIHWCA-NOZJJQNGSA-N 2 0 291.380 -0.170 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)n1cc(C[NH3+])cnc1=N ZINC001220950960 825128363 /nfs/dbraw/zinc/12/83/63/825128363.db2.gz LXFQTIGBVYKCTL-ZDUSSCGKSA-N 2 0 296.334 -0.097 20 30 CBEDRP N#Cc1cc[nH]c1CN1CC[NH2+]CCNCC[NH2+]CC1 ZINC001235871661 825517085 /nfs/dbraw/zinc/51/70/85/825517085.db2.gz XMQLNSSXESRGAO-UHFFFAOYSA-N 2 0 276.388 -0.529 20 30 CBEDRP C#CCOC[C@@H](O)C[NH2+]C[C@H]1CCC2(CC[NH2+]CC2)N1 ZINC001245989100 825618049 /nfs/dbraw/zinc/61/80/49/825618049.db2.gz XVRLYZSCKMXQEM-KGLIPLIRSA-N 2 0 281.400 -0.539 20 30 CBEDRP C=CCOC[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028099 825626071 /nfs/dbraw/zinc/62/60/71/825626071.db2.gz ZYAJICSCFWORIS-QWHCGFSZSA-N 2 0 258.362 -0.274 20 30 CBEDRP C#CCOC[C@@H](O)C[N@H+]1CCCC[C@@](O)(C[NH3+])C1 ZINC001246028091 825626559 /nfs/dbraw/zinc/62/65/59/825626559.db2.gz ZUZCCXFNIWBUMN-QWHCGFSZSA-N 2 0 256.346 -0.827 20 30 CBEDRP C=CCOC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246032458 825627357 /nfs/dbraw/zinc/62/73/57/825627357.db2.gz SZZDNZRJSBYTHP-CYBMUJFWSA-N 2 0 269.389 -0.423 20 30 CBEDRP C#CCOC[C@H](O)C[N@@H+]1CCNC2(CC[NH2+]CC2)C1 ZINC001246028587 825627470 /nfs/dbraw/zinc/62/74/70/825627470.db2.gz KBIYKSLPGARXEZ-CYBMUJFWSA-N 2 0 267.373 -0.976 20 30 CBEDRP C=C(C)C(=O)NCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246190601 825648052 /nfs/dbraw/zinc/64/80/52/825648052.db2.gz GCMANQRCYHOUEF-LBPRGKRZSA-N 2 0 266.389 -0.248 20 30 CBEDRP C#CCCN1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246347508 825666965 /nfs/dbraw/zinc/66/69/65/825666965.db2.gz UDOGDBVPXLOYNY-ZIAGYGMSSA-N 2 0 290.411 -0.316 20 30 CBEDRP N#C[C@@H]1C[C@@H]([NH2+]CCC[NH2+]CCCC[NH3+])CCN1 ZINC001246456137 825675398 /nfs/dbraw/zinc/67/53/98/825675398.db2.gz HVHBJYZFVIWVRO-STQMWFEESA-N 3 0 253.394 -0.061 20 30 CBEDRP CC[C@H](C)[C@H]([NH2+][C@@H]1CCNC2(C[NH2+]C2)C1)C(=O)NO ZINC001246515648 825678450 /nfs/dbraw/zinc/67/84/50/825678450.db2.gz CYAVRWLCVCCNPP-AXFHLTTASA-N 2 0 270.377 -0.410 20 30 CBEDRP C#CCOC[C@@H](O)C[N@@H+]1CCC(=O)N(CC[NH+](C)C)CC1 ZINC001251851697 825795094 /nfs/dbraw/zinc/79/50/94/825795094.db2.gz QHVJXNHWLUAGLP-AWEZNQCLSA-N 2 0 297.399 -0.907 20 30 CBEDRP C=CCOC[C@@H](O)C[NH2+]CCCN1CC[NH+](C)CC1 ZINC001252450535 825865841 /nfs/dbraw/zinc/86/58/41/825865841.db2.gz CYPJJDDGRQMCPI-AWEZNQCLSA-N 2 0 271.405 -0.223 20 30 CBEDRP C[NH2+][C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC001262034763 826626850 /nfs/dbraw/zinc/62/68/50/826626850.db2.gz MXPWEGBMVQBMGS-MRFPXMQZSA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC001263107404 826739246 /nfs/dbraw/zinc/73/92/46/826739246.db2.gz VZSSCMOOWVQMEC-GFCCVEGCSA-N 2 0 280.372 -0.945 20 30 CBEDRP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001265021510 826834732 /nfs/dbraw/zinc/83/47/32/826834732.db2.gz RIUVZBYMWRINOO-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001265789981 826919261 /nfs/dbraw/zinc/91/92/61/826919261.db2.gz CNJGDRDCOALWIY-CHWSQXEVSA-N 2 0 294.399 -0.686 20 30 CBEDRP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265894991 826935385 /nfs/dbraw/zinc/93/53/85/826935385.db2.gz BJICONSLWOYHML-KBPBESRZSA-N 2 0 279.384 -0.079 20 30 CBEDRP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001266944630 827092451 /nfs/dbraw/zinc/09/24/51/827092451.db2.gz NHZOABUSFBRZJE-NSHDSACASA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001268311813 827292437 /nfs/dbraw/zinc/29/24/37/827292437.db2.gz PILRFGFSMMRMMD-CQSZACIVSA-N 2 0 293.411 -0.048 20 30 CBEDRP CC[C@@H](C(=O)NC[C@@H](O)C[NH2+]CC#CCOC)[NH+](C)C ZINC001268330500 827305379 /nfs/dbraw/zinc/30/53/79/827305379.db2.gz KQTDFGJEPSNYIX-STQMWFEESA-N 2 0 285.388 -0.957 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+]CC)CC1 ZINC001268334614 827308156 /nfs/dbraw/zinc/30/81/56/827308156.db2.gz KRMAHWAJSUDQOK-CYBMUJFWSA-N 2 0 267.373 -0.582 20 30 CBEDRP C=CCNC(=O)CN1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001269186587 827472825 /nfs/dbraw/zinc/47/28/25/827472825.db2.gz BULKTIXLBXKHAK-CYBMUJFWSA-N 2 0 296.415 -0.179 20 30 CBEDRP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271191679 827675342 /nfs/dbraw/zinc/67/53/42/827675342.db2.gz GKCGSWKTQMRPJK-HOCLYGCPSA-N 2 0 293.411 -0.096 20 30 CBEDRP CC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001272196839 827769377 /nfs/dbraw/zinc/76/93/77/827769377.db2.gz PSKLDLGNXKCJDI-CQSZACIVSA-N 2 0 281.400 -0.096 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)C1([NH+](C)C)CCC1 ZINC001272434815 827796942 /nfs/dbraw/zinc/79/69/42/827796942.db2.gz KVBFNUAVXYJAEZ-LLVKDONJSA-N 2 0 255.362 -0.277 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001272443920 827798585 /nfs/dbraw/zinc/79/85/85/827798585.db2.gz QSXHZLTUFKVSME-KBPBESRZSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001272453978 827801227 /nfs/dbraw/zinc/80/12/27/827801227.db2.gz MKIWAFAWUGLYDV-CYBMUJFWSA-N 2 0 279.384 -0.438 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCCCC1 ZINC001272584264 827825916 /nfs/dbraw/zinc/82/59/16/827825916.db2.gz MUVQOMYRFGGRQM-ZDUSSCGKSA-N 2 0 267.373 -0.438 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CCO1 ZINC001273268930 827882446 /nfs/dbraw/zinc/88/24/46/827882446.db2.gz VKUBOWNGOYWTSY-CQSZACIVSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]CCO)CC1 ZINC001273764528 827924477 /nfs/dbraw/zinc/92/44/77/827924477.db2.gz GPCUDVPKNWANOP-UHFFFAOYSA-N 2 0 281.400 -0.238 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001274907419 828040820 /nfs/dbraw/zinc/04/08/20/828040820.db2.gz YKJHHEQFGYCAKQ-GFCCVEGCSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC(=O)NC)CC1 ZINC001275458716 828088837 /nfs/dbraw/zinc/08/88/37/828088837.db2.gz FTZFLPZHTAEVTL-LBPRGKRZSA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CN(C)CCO1 ZINC001275802407 828115886 /nfs/dbraw/zinc/11/58/86/828115886.db2.gz ZZTXJVWSBXGLAC-RYUDHWBXSA-N 2 0 253.346 -0.613 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001278077857 828242039 /nfs/dbraw/zinc/24/20/39/828242039.db2.gz OMYOUFIQIYVLOA-CYBMUJFWSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001278860359 828300067 /nfs/dbraw/zinc/30/00/67/828300067.db2.gz VGDICYMWGPYBFW-KBPBESRZSA-N 2 0 283.416 -0.043 20 30 CBEDRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC001329520495 886105217 /nfs/dbraw/zinc/10/52/17/886105217.db2.gz IZKBUTCXGCPMMD-WDEREUQCSA-N 2 0 282.344 -0.629 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001332520290 887336537 /nfs/dbraw/zinc/33/65/37/887336537.db2.gz AAADTMYFYDNPTJ-CQSZACIVSA-N 2 0 281.400 -0.097 20 30 CBEDRP N#CCCN1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC001332816492 887437479 /nfs/dbraw/zinc/43/74/79/887437479.db2.gz UYQJSXFMCDEQKM-CYBMUJFWSA-N 2 0 264.373 -0.104 20 30 CBEDRP COCC[NH2+]CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001333177057 887552548 /nfs/dbraw/zinc/55/25/48/887552548.db2.gz AMOOTYUJJHFYIJ-MBHSVXNSSA-N 2 0 280.372 -0.522 20 30 CBEDRP CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)[C@@H]1CC[NH2+]C1 ZINC001333632261 887725613 /nfs/dbraw/zinc/72/56/13/887725613.db2.gz XDLHPBPNPYGHBC-CBKZZEEASA-N 2 0 262.357 -0.054 20 30 CBEDRP CC[NH+]1CCN(CCNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC001326062679 884895250 /nfs/dbraw/zinc/89/52/50/884895250.db2.gz LMYNFJQAJHBJEA-CYBMUJFWSA-N 2 0 281.404 -0.239 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001326148499 884923062 /nfs/dbraw/zinc/92/30/62/884923062.db2.gz MZFVGVDZRWGTOO-OKILXGFUSA-N 2 0 281.400 -0.097 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001328477296 885702096 /nfs/dbraw/zinc/70/20/96/885702096.db2.gz JDGMGXRLNRRZJG-NSHDSACASA-N 2 0 266.345 -0.402 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1CCC[NH2+]C1)C2 ZINC001330866512 886604854 /nfs/dbraw/zinc/60/48/54/886604854.db2.gz JTZJCEGUHMJHFM-ATJQQHLPSA-N 2 0 262.357 -0.006 20 30 CBEDRP CC[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)[NH+](C)C ZINC001331824745 887000074 /nfs/dbraw/zinc/00/00/74/887000074.db2.gz KEELNZWCHQQICQ-OLZOCXBDSA-N 2 0 285.388 -0.957 20 30 CBEDRP C[NH2+]CCOCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001331969010 887068879 /nfs/dbraw/zinc/06/88/79/887068879.db2.gz MKDLXVNRYSOCDS-LXVYMNJGSA-N 2 0 280.372 -0.522 20 30 CBEDRP N#CCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC001332158507 887137423 /nfs/dbraw/zinc/13/74/23/887137423.db2.gz YZSIVDPGVAXFLK-LBPRGKRZSA-N 2 0 267.377 -0.581 20 30 CBEDRP C=CC[C@@H](CO)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC001332358225 887221431 /nfs/dbraw/zinc/22/14/31/887221431.db2.gz YIAFOJIDGUFFSY-STQMWFEESA-N 2 0 257.378 -0.879 20 30 CBEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001332664554 887398032 /nfs/dbraw/zinc/39/80/32/887398032.db2.gz VGDICYMWGPYBFW-ZIAGYGMSSA-N 2 0 283.416 -0.043 20 30 CBEDRP C#CC[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001332677414 887401101 /nfs/dbraw/zinc/40/11/01/887401101.db2.gz RPAXTRFNMWPDEB-ZDUSSCGKSA-N 2 0 269.389 -0.289 20 30 CBEDRP N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1CCC[NH2+]C1)C2 ZINC001333630741 887726996 /nfs/dbraw/zinc/72/69/96/887726996.db2.gz JTZJCEGUHMJHFM-MRFPXMQZSA-N 2 0 262.357 -0.006 20 30 CBEDRP CN(CCC#N)C[C@@H](O)C[NH2+]CCc1cncn1C ZINC001335407230 888526598 /nfs/dbraw/zinc/52/65/98/888526598.db2.gz JQQOQMDPOPXWLQ-ZDUSSCGKSA-N 2 0 265.361 -0.241 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CC[NH2+]CCC12CCOCC2 ZINC001336714130 888852222 /nfs/dbraw/zinc/85/22/22/888852222.db2.gz UFHQSHSQJMYQGD-UHFFFAOYSA-N 2 0 265.357 -0.420 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001336756789 888873317 /nfs/dbraw/zinc/87/33/17/888873317.db2.gz RQASWNZABRNSTI-CQSZACIVSA-N 2 0 280.416 -0.259 20 30 CBEDRP C#C[C@@H](CCC)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC001336812565 888890534 /nfs/dbraw/zinc/89/05/34/888890534.db2.gz ZHAGRBJCTQFLCH-UONOGXRCSA-N 2 0 253.390 -0.014 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC001338488326 889168193 /nfs/dbraw/zinc/16/81/93/889168193.db2.gz KTXVQOFDIYOXIZ-ZDUSSCGKSA-N 2 0 270.373 -0.567 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC001340832031 889493269 /nfs/dbraw/zinc/49/32/69/889493269.db2.gz KULLOUABYRWGMJ-UHFFFAOYSA-N 2 0 279.384 -0.078 20 30 CBEDRP C=CC[C@]1(C(=O)N2CCC[C@@]([NH3+])(CO)C2)CCC[NH2+]1 ZINC001341114726 889545983 /nfs/dbraw/zinc/54/59/83/889545983.db2.gz ADLHEWAEYZZCJE-UONOGXRCSA-N 2 0 267.373 -0.003 20 30 CBEDRP [NH3+][C@]1(CO)CCCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001342629928 889804114 /nfs/dbraw/zinc/80/41/14/889804114.db2.gz YBXXAVCJYPZRFS-CQSZACIVSA-N 2 0 265.357 -0.698 20 30 CBEDRP C[C@@H]1CN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C[C@H]1[NH3+] ZINC001342649966 889810373 /nfs/dbraw/zinc/81/03/73/889810373.db2.gz WGSBEURLFSMECP-SSTAHTEZSA-N 2 0 262.357 -0.069 20 30 CBEDRP CCN(CC[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001349816588 890896773 /nfs/dbraw/zinc/89/67/73/890896773.db2.gz QFFYOUHTOZVJDK-QWKFWESOSA-N 2 0 250.346 -0.067 20 30 CBEDRP C[C@]1(NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[NH2+]C1 ZINC001353067184 891356392 /nfs/dbraw/zinc/35/63/92/891356392.db2.gz DRAXCXVUPWNTQW-QCKFIBFJSA-N 2 0 262.357 -0.006 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCN(C)CCC[NH+](C)C ZINC001354246957 891545377 /nfs/dbraw/zinc/54/53/77/891545377.db2.gz LMECEIANXOVCFK-UHFFFAOYSA-N 2 0 254.378 -0.791 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CCO1 ZINC001502057935 921328845 /nfs/dbraw/zinc/32/88/45/921328845.db2.gz IIAPHFOZHVXLAL-CYBMUJFWSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC001502087576 921335083 /nfs/dbraw/zinc/33/50/83/921335083.db2.gz PSSPMQOIVMNNEU-ZDUSSCGKSA-N 2 0 277.368 -0.468 20 30 CBEDRP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CCO1 ZINC001502077179 921335375 /nfs/dbraw/zinc/33/53/75/921335375.db2.gz QHMMGJOFHLXQLU-STQMWFEESA-N 2 0 267.373 -0.223 20 30 CBEDRP C[C@@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001505683270 921466255 /nfs/dbraw/zinc/46/62/55/921466255.db2.gz ZAGIADQMGDSPSI-WDEREUQCSA-N 2 0 283.376 -0.939 20 30 CBEDRP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001505683267 921467671 /nfs/dbraw/zinc/46/76/71/921467671.db2.gz ZAGIADQMGDSPSI-GHMZBOCLSA-N 2 0 283.376 -0.939 20 30 CBEDRP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CC(=O)NCC#N ZINC001507063602 921666180 /nfs/dbraw/zinc/66/61/80/921666180.db2.gz RUDJUMJSGOHKIL-VXGBXAGGSA-N 2 0 295.387 -0.843 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001507225122 921758823 /nfs/dbraw/zinc/75/88/23/921758823.db2.gz MFPDYTSUQWTQBI-LBPRGKRZSA-N 2 0 267.373 -0.439 20 30 CBEDRP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001481108729 916723481 /nfs/dbraw/zinc/72/34/81/916723481.db2.gz CSEYLSLEWHNMSF-CYBMUJFWSA-N 2 0 296.415 -0.322 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481319410 916819999 /nfs/dbraw/zinc/81/99/99/916819999.db2.gz CXLWPCIRVYMHLP-UHFFFAOYSA-N 2 0 283.376 -0.986 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482267132 917109449 /nfs/dbraw/zinc/10/94/49/917109449.db2.gz RFQAEANERNHNMA-STQMWFEESA-N 2 0 294.399 -0.734 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482267131 917110020 /nfs/dbraw/zinc/11/00/20/917110020.db2.gz RFQAEANERNHNMA-QWHCGFSZSA-N 2 0 294.399 -0.734 20 30 CBEDRP COCC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001482650366 917196418 /nfs/dbraw/zinc/19/64/18/917196418.db2.gz VKNPDIQNAJSEPH-CQSZACIVSA-N 2 0 281.400 -0.022 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001484238211 917786046 /nfs/dbraw/zinc/78/60/46/917786046.db2.gz YLMINOKZPUCREO-DZKIICNBSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484252892 917793271 /nfs/dbraw/zinc/79/32/71/917793271.db2.gz XYIUTLLUJLOZQC-UKRRQHHQSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001484483932 917868879 /nfs/dbraw/zinc/86/88/79/917868879.db2.gz GLIOKQTVCINKRL-AWEZNQCLSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H](CC)[NH+](C)C ZINC001484499183 917880374 /nfs/dbraw/zinc/88/03/74/917880374.db2.gz LXZOCPMODDPEAB-LBPRGKRZSA-N 2 0 255.362 -0.630 20 30 CBEDRP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001485225053 918033761 /nfs/dbraw/zinc/03/37/61/918033761.db2.gz HNSQMIBUOIVRGR-NEPJUHHUSA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001486027681 918321196 /nfs/dbraw/zinc/32/11/96/918321196.db2.gz NVPHZEYSPDGLMQ-OLZOCXBDSA-N 2 0 267.373 -0.439 20 30 CBEDRP CC#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001486067276 918352669 /nfs/dbraw/zinc/35/26/69/918352669.db2.gz XPTZGUCZXRRCIG-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[NH2+]C[C@H](O)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001486298423 918415676 /nfs/dbraw/zinc/41/56/76/918415676.db2.gz ORVMPYRZINNIMI-ZDUSSCGKSA-N 2 0 267.373 -0.630 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](O)C[NH2+]CC=C)CC1 ZINC001486318411 918423610 /nfs/dbraw/zinc/42/36/10/918423610.db2.gz SHLNEVXURVXQBM-HNNXBMFYSA-N 2 0 293.411 -0.074 20 30 CBEDRP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490842705 918976554 /nfs/dbraw/zinc/97/65/54/918976554.db2.gz WKCSTZVWCABLIP-STQMWFEESA-N 2 0 296.415 -0.181 20 30 CBEDRP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)[NH+](C)C ZINC001491030006 919011942 /nfs/dbraw/zinc/01/19/42/919011942.db2.gz NATJDGDAQILBOE-GRYCIOLGSA-N 2 0 295.387 -0.797 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001497911612 920422811 /nfs/dbraw/zinc/42/28/11/920422811.db2.gz ZCHHNRYBOLSYSA-QWHCGFSZSA-N 2 0 294.399 -0.828 20 30 CBEDRP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)[NH+](C)C ZINC001498106989 920482003 /nfs/dbraw/zinc/48/20/03/920482003.db2.gz XBHUFBFQGCYGPT-WCQYABFASA-N 2 0 297.403 -0.693 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001500724622 920866259 /nfs/dbraw/zinc/86/62/59/920866259.db2.gz GNORSRUHXMBRFK-HIFRSBDPSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001500762220 920878517 /nfs/dbraw/zinc/87/85/17/920878517.db2.gz DSGIJRZCFZCQQG-ZFWWWQNUSA-N 2 0 279.384 -0.486 20 30 CBEDRP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501364440 920976541 /nfs/dbraw/zinc/97/65/41/920976541.db2.gz NHKRUVKONRJXLE-GDBMZVCRSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=CC[NH2+]CCN(CCO)C(=O)C12CC[NH+](CC1)C2 ZINC001501506039 921032668 /nfs/dbraw/zinc/03/26/68/921032668.db2.gz KFRMGCVWODGOFB-UHFFFAOYSA-N 2 0 267.373 -0.321 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507487174 921849939 /nfs/dbraw/zinc/84/99/39/921849939.db2.gz HMVTZUIJPDTDBM-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[NH2+]C[C@@H](O)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001507499432 921855537 /nfs/dbraw/zinc/85/55/37/921855537.db2.gz JTFXUBMUNHOFJR-CYBMUJFWSA-N 2 0 281.400 -0.240 20 30 CBEDRP C[C@@H]1CN2CC[N@@H+]1C[C@@H]2C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC001520969001 922330536 /nfs/dbraw/zinc/33/05/36/922330536.db2.gz HRFNITHRRUOZPJ-CHWSQXEVSA-N 2 0 291.399 -0.521 20 30 CBEDRP C#CC[NH2+]CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001521195213 922340648 /nfs/dbraw/zinc/34/06/48/922340648.db2.gz OWCGIEBBYBEIKP-BETUJISGSA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CCN1CCN(C(=O)C[N@@H+](C)CCCC(=O)NC)CC1 ZINC000155241936 351950189 /nfs/dbraw/zinc/95/01/89/351950189.db2.gz MKQKXSCRSHRTND-UHFFFAOYSA-N 2 0 294.399 -0.778 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000491339651 354455657 /nfs/dbraw/zinc/45/56/57/354455657.db2.gz RKBHVLHZIXXOHY-ZDUSSCGKSA-N 2 0 282.388 -0.381 20 30 CBEDRP C=CCN1CC[C@H](N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)C1=O ZINC000519426532 354561433 /nfs/dbraw/zinc/56/14/33/354561433.db2.gz LJKXCRJPULGDOF-WOPDTQHZSA-N 2 0 278.356 -0.983 20 30 CBEDRP CN(CC(=O)N1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426123 355248112 /nfs/dbraw/zinc/24/81/12/355248112.db2.gz NLCFTJWKOLYLJH-LBPRGKRZSA-N 2 0 295.387 -0.712 20 30 CBEDRP CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H](C[NH3+])C1 ZINC000594426631 355247656 /nfs/dbraw/zinc/24/76/56/355247656.db2.gz QBTIUJVIKHXYSK-RYUDHWBXSA-N 2 0 267.377 -0.501 20 30 CBEDRP C=C(C)C[NH+]1CCC(Nc2nc(N)[nH+]c(N)n2)CC1 ZINC000623951328 356384210 /nfs/dbraw/zinc/38/42/10/356384210.db2.gz JMJNTHTXZBHISQ-UHFFFAOYSA-N 2 0 263.349 -0.429 20 30 CBEDRP C[N@@H+]1CCCN(CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000261999332 220246329 /nfs/dbraw/zinc/24/63/29/220246329.db2.gz PCCJCLYUVDYOAB-UHFFFAOYSA-N 2 0 285.461 -0.013 20 30 CBEDRP C[NH+]=C(NCc1ccn(C)c1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262109962 220248184 /nfs/dbraw/zinc/24/81/84/220248184.db2.gz ZXULMHHPAPSYEK-CQSZACIVSA-N 2 0 290.415 -0.310 20 30 CBEDRP C[C@@H]1CN(C(=[NH2+])NC[C@H]2C[NH+]3CCN2CC3)CCO1 ZINC000262455684 220251043 /nfs/dbraw/zinc/25/10/43/220251043.db2.gz LANLENOFGGAZRW-NEPJUHHUSA-N 2 0 267.377 -0.978 20 30 CBEDRP C=CCOCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644617864 374602463 /nfs/dbraw/zinc/60/24/63/374602463.db2.gz IKJXBEQMLFQZGG-ZDUSSCGKSA-N 2 0 257.378 -0.613 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262728025 220254602 /nfs/dbraw/zinc/25/46/02/220254602.db2.gz HPNUVACYOXJBAB-BZPMIXESSA-N 2 0 284.404 -0.085 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262728026 220255698 /nfs/dbraw/zinc/25/56/98/220255698.db2.gz HPNUVACYOXJBAB-OUCADQQQSA-N 2 0 284.404 -0.085 20 30 CBEDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cnn(C)n1 ZINC000263127990 220260565 /nfs/dbraw/zinc/26/05/65/220260565.db2.gz FYMVBZQRSZWREP-NSHDSACASA-N 2 0 265.365 -0.296 20 30 CBEDRP C#CCNC(=O)[C@H](C)N1CCN(c2nccn2C)CC1 ZINC000266882654 190287003 /nfs/dbraw/zinc/28/70/03/190287003.db2.gz ATHRIPOMROUARJ-LBPRGKRZSA-N 2 0 275.356 -0.320 20 30 CBEDRP COCCNC(=[NH2+])NCCN1CCC[N@H+](C)CC1 ZINC000303361045 220325834 /nfs/dbraw/zinc/32/58/34/220325834.db2.gz CGKQBLPWECRIEI-UHFFFAOYSA-N 2 0 257.382 -0.825 20 30 CBEDRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000330764177 220361498 /nfs/dbraw/zinc/36/14/98/220361498.db2.gz RFJXLZSINDPNKO-SNVBAGLBSA-N 2 0 256.350 -0.080 20 30 CBEDRP C=CC[C@]1(C(=O)N(C)CC(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662400765 419597065 /nfs/dbraw/zinc/59/70/65/419597065.db2.gz DRSKHBRFSVFNTN-OAHLLOKOSA-N 2 0 294.399 -0.425 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000491396266 420313268 /nfs/dbraw/zinc/31/32/68/420313268.db2.gz XJVNHQSXTQHHQA-OAHLLOKOSA-N 2 0 294.443 -0.011 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659704739 420452965 /nfs/dbraw/zinc/45/29/65/420452965.db2.gz SNWUYWIXRHCZAX-NSHDSACASA-N 2 0 282.388 -0.523 20 30 CBEDRP C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582542414 329109141 /nfs/dbraw/zinc/10/91/41/329109141.db2.gz WAAVLDFAJYALGO-ZNMIVQPWSA-N 2 0 283.416 -0.082 20 30 CBEDRP CN1CCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C[NH3+])C1 ZINC000582604826 329114744 /nfs/dbraw/zinc/11/47/44/329114744.db2.gz HBGRJMFOWOFPQN-QWRGUYRKSA-N 2 0 253.350 -0.891 20 30 CBEDRP C#CC[NH+](C)CCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000491393905 332203539 /nfs/dbraw/zinc/20/35/39/332203539.db2.gz JWCDPJLFVYRYFW-AWEZNQCLSA-N 2 0 296.415 -0.039 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000491672165 332278956 /nfs/dbraw/zinc/27/89/56/332278956.db2.gz OUDWNEZHJBDBJM-CYBMUJFWSA-N 2 0 281.404 -0.774 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000491692303 332288939 /nfs/dbraw/zinc/28/89/39/332288939.db2.gz QUXKJHIIKNAIJG-LBPRGKRZSA-N 2 0 252.362 -0.007 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000491699119 332293974 /nfs/dbraw/zinc/29/39/74/332293974.db2.gz CCKOUAIFHQKIKX-CQSZACIVSA-N 2 0 282.432 -0.060 20 30 CBEDRP C#CC[N@@H+](C)CCCNC(=S)NCC[NH+](C)C ZINC000491714709 332305232 /nfs/dbraw/zinc/30/52/32/332305232.db2.gz NNQWDDVRNJAPSM-UHFFFAOYSA-N 2 0 256.419 -0.033 20 30 CBEDRP C#CCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000750533030 582291458 /nfs/dbraw/zinc/29/14/58/582291458.db2.gz NGVWKTXIOLYLKJ-UHFFFAOYSA-N 2 0 294.399 -0.874 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000819062985 582525597 /nfs/dbraw/zinc/52/55/97/582525597.db2.gz VIMFZYLAZBUWTC-UHFFFAOYSA-N 2 0 280.416 -0.259 20 30 CBEDRP C#CCCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000819156385 582528209 /nfs/dbraw/zinc/52/82/09/582528209.db2.gz IOAPUNOHWHYTIU-CQSZACIVSA-N 2 0 253.390 -0.012 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000834483890 583124390 /nfs/dbraw/zinc/12/43/90/583124390.db2.gz AVDQXSRJTVBLJP-YGOYTEALSA-N 2 0 274.328 -0.672 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000834485450 583124969 /nfs/dbraw/zinc/12/49/69/583124969.db2.gz XDAOZSUVNMRYFZ-FRRDWIJNSA-N 2 0 258.325 -0.043 20 30 CBEDRP COCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC[NH2+]CC1 ZINC000834484992 583125036 /nfs/dbraw/zinc/12/50/36/583125036.db2.gz QRHAPXLCWTUKJN-GHMZBOCLSA-N 2 0 266.345 -0.770 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000841849850 583174926 /nfs/dbraw/zinc/17/49/26/583174926.db2.gz MTYIAHDPEZQISZ-HZSPNIEDSA-N 2 0 270.336 -0.071 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000841849851 583175311 /nfs/dbraw/zinc/17/53/11/583175311.db2.gz MTYIAHDPEZQISZ-MCIONIFRSA-N 2 0 270.336 -0.071 20 30 CBEDRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000846313234 583358678 /nfs/dbraw/zinc/35/86/78/583358678.db2.gz LAFGJJDIWABZJK-PWSUYJOCSA-N 2 0 291.359 -0.322 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000847377588 583404818 /nfs/dbraw/zinc/40/48/18/583404818.db2.gz DCYJUOSNJQKSJF-UONOGXRCSA-N 2 0 294.399 -0.598 20 30 CBEDRP CN1CC[NH+]=C1NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000848999894 583465832 /nfs/dbraw/zinc/46/58/32/583465832.db2.gz ABLYVTUEVPIWLL-NSHDSACASA-N 2 0 267.377 -0.535 20 30 CBEDRP C[NH+]=C(NCCN1CCOCC1)NC[C@H](C)C[NH+](C)C ZINC000849030296 583469820 /nfs/dbraw/zinc/46/98/20/583469820.db2.gz JEPSUDLRBUNAJZ-ZDUSSCGKSA-N 2 0 285.436 -0.319 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852827679 583557259 /nfs/dbraw/zinc/55/72/59/583557259.db2.gz NICOHMGHGOJEFP-JQWIXIFHSA-N 2 0 289.339 -0.017 20 30 CBEDRP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000852873186 583565493 /nfs/dbraw/zinc/56/54/93/583565493.db2.gz QKSHGEWAJWWAEE-CQSZACIVSA-N 2 0 292.427 -0.259 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(=O)N1CC[NH2+]CC1 ZINC000876511555 584130306 /nfs/dbraw/zinc/13/03/06/584130306.db2.gz MIXLVBIVSLCGOR-JTQLQIEISA-N 2 0 288.779 -0.654 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000876511445 584130331 /nfs/dbraw/zinc/13/03/31/584130331.db2.gz JCKGLFCQHDUBEB-SECBINFHSA-N 2 0 274.752 -0.996 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)[C@@]2(COC)C[NH2+]CCO2)CC1 ZINC000876755250 584142874 /nfs/dbraw/zinc/14/28/74/584142874.db2.gz IJAQNADPJGBOBI-HNNXBMFYSA-N 2 0 297.399 -0.242 20 30 CBEDRP COC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCC[NH2+]1 ZINC000876802509 584146697 /nfs/dbraw/zinc/14/66/97/584146697.db2.gz PTNVXQVWPSHPDS-MDZLAQPJSA-N 2 0 266.345 -0.627 20 30 CBEDRP COC[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCCC[NH2+]1 ZINC000876802507 584146759 /nfs/dbraw/zinc/14/67/59/584146759.db2.gz PTNVXQVWPSHPDS-GVXVVHGQSA-N 2 0 266.345 -0.627 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000876984401 584159909 /nfs/dbraw/zinc/15/99/09/584159909.db2.gz GZIFOHMAJYMYHD-SECBINFHSA-N 2 0 259.737 -0.343 20 30 CBEDRP COCC[N@@H+](CC(=O)NCC#N)CC1CC[NH+](C)CC1 ZINC000879125152 584227128 /nfs/dbraw/zinc/22/71/28/584227128.db2.gz RBQNTQPEATYBJH-UHFFFAOYSA-N 2 0 282.388 -0.084 20 30 CBEDRP COCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884208103 584367113 /nfs/dbraw/zinc/36/71/13/584367113.db2.gz QAVZRXVLMQUMHI-JVWICGRDSA-N 2 0 294.399 -0.180 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888985322 584511400 /nfs/dbraw/zinc/51/14/00/584511400.db2.gz TWMPSIFKUYVWKV-UHFFFAOYSA-N 2 0 268.405 -0.190 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591758 613293954 /nfs/dbraw/zinc/29/39/54/613293954.db2.gz IEYABFDNSNWXFZ-STQMWFEESA-N 2 0 277.368 -0.876 20 30 CBEDRP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000958268719 613295300 /nfs/dbraw/zinc/29/53/00/613295300.db2.gz XHFCJJGLOYYGDJ-ZFWWWQNUSA-N 2 0 298.346 -0.010 20 30 CBEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374926 613618473 /nfs/dbraw/zinc/61/84/73/613618473.db2.gz PRSXHFAYYOJTGF-GJZGRUSLSA-N 2 0 293.411 -0.240 20 30 CBEDRP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958591449 613812337 /nfs/dbraw/zinc/81/23/37/613812337.db2.gz GZDBTLHTOQXGPD-QWHCGFSZSA-N 2 0 279.384 -0.323 20 30 CBEDRP C=CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374010 613813304 /nfs/dbraw/zinc/81/33/04/613813304.db2.gz KVNVHBAARCHSLI-UONOGXRCSA-N 2 0 281.400 -0.077 20 30 CBEDRP C=CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374009 613830483 /nfs/dbraw/zinc/83/04/83/613830483.db2.gz KVNVHBAARCHSLI-KGLIPLIRSA-N 2 0 281.400 -0.077 20 30 CBEDRP C#CCN1CCC[C@H](NC(=O)[C@H]2CN(CC)CCO2)C1 ZINC000923572942 658334347 /nfs/dbraw/zinc/33/43/47/658334347.db2.gz HUFIVXXFICOLJY-UONOGXRCSA-N 2 0 279.384 -0.079 20 30 CBEDRP CCN(C)C(=O)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC ZINC000187051771 656095953 /nfs/dbraw/zinc/09/59/53/656095953.db2.gz KWCHNBTVDXSZNB-NSHDSACASA-N 2 0 269.393 -0.147 20 30 CBEDRP CNC(NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)=[NH+]C ZINC000303384731 656139026 /nfs/dbraw/zinc/13/90/26/656139026.db2.gz UXYIAMDBKSKYQK-JTQLQIEISA-N 2 0 255.366 -0.631 20 30 CBEDRP COC[C@H](C)NC(=[NH2+])NCCCN1CCC[N@H+](C)CC1 ZINC000303980728 656140177 /nfs/dbraw/zinc/14/01/77/656140177.db2.gz OKLGRTOOBDQIRP-ZDUSSCGKSA-N 2 0 285.436 -0.047 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])N2CCOCC2)CC1 ZINC000303904391 656140204 /nfs/dbraw/zinc/14/02/04/656140204.db2.gz UVPRJQVFYCQCSR-UHFFFAOYSA-N 2 0 269.393 -0.729 20 30 CBEDRP CC(C)[N@H+](C)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000303989293 656140222 /nfs/dbraw/zinc/14/02/22/656140222.db2.gz XJQCGGABHJCFNL-UHFFFAOYSA-N 2 0 285.436 -0.047 20 30 CBEDRP C[N@@H+]1CCC[C@@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000304757199 656141067 /nfs/dbraw/zinc/14/10/67/656141067.db2.gz OOLWENWPKYNCJV-AWEZNQCLSA-N 3 0 297.447 -0.045 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC[C@@H](C(N)=O)O1 ZINC000305076245 656141562 /nfs/dbraw/zinc/14/15/62/656141562.db2.gz LCMFFAURFOCUEU-UTUOFQBUSA-N 2 0 297.403 -0.592 20 30 CBEDRP C#CC[N@H+](C)CCCNC[C@H](O)C[NH+]1CCCC1 ZINC000327977102 656148691 /nfs/dbraw/zinc/14/86/91/656148691.db2.gz HUNNPKXIFQYXLT-AWEZNQCLSA-N 2 0 253.390 -0.012 20 30 CBEDRP C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000905462264 656358704 /nfs/dbraw/zinc/35/87/04/656358704.db2.gz SXRRWFZEMHQSCY-HZPDHXFCSA-N 2 0 294.443 -0.718 20 30 CBEDRP C=CCCC[C@H]([NH3+])C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000911701928 657107284 /nfs/dbraw/zinc/10/72/84/657107284.db2.gz HDANGZWLNDBUER-NSHDSACASA-N 2 0 268.361 -0.782 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000913518468 657484011 /nfs/dbraw/zinc/48/40/11/657484011.db2.gz QJRVIQDAUGMOOD-ZDUSSCGKSA-N 2 0 294.399 -0.922 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000913518467 657487002 /nfs/dbraw/zinc/48/70/02/657487002.db2.gz QJRVIQDAUGMOOD-CYBMUJFWSA-N 2 0 294.399 -0.922 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000913523243 657493494 /nfs/dbraw/zinc/49/34/94/657493494.db2.gz RJTLLKYWDYQWGW-UHFFFAOYSA-N 2 0 277.372 -0.261 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CCCO)C2)CC1 ZINC001016330780 657689325 /nfs/dbraw/zinc/68/93/25/657689325.db2.gz VHGGHTCYULQWRV-OAHLLOKOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC001019574642 657914558 /nfs/dbraw/zinc/91/45/58/657914558.db2.gz MGTRAUVSWWBMEE-ZDUSSCGKSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CCN1CCC[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000923551652 658317060 /nfs/dbraw/zinc/31/70/60/658317060.db2.gz CANMKBWJVIXLNA-CABCVRRESA-N 2 0 291.395 -0.079 20 30 CBEDRP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001078175562 805850432 /nfs/dbraw/zinc/85/04/32/805850432.db2.gz BDJJFTIIYPIQJA-JHJVBQTASA-N 2 0 267.373 -0.325 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001147900263 814926523 /nfs/dbraw/zinc/92/65/23/814926523.db2.gz KVLCMZAWQPWERA-STQMWFEESA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@H]2C1 ZINC001083274803 806246340 /nfs/dbraw/zinc/24/63/40/806246340.db2.gz AFALNRZZADVJTM-SOUVJXGZSA-N 2 0 291.395 -0.127 20 30 CBEDRP C=CCC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001083959343 806470138 /nfs/dbraw/zinc/47/01/38/806470138.db2.gz RWARWPUWNYWZOT-OLZOCXBDSA-N 2 0 279.384 -0.180 20 30 CBEDRP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001026045277 798987621 /nfs/dbraw/zinc/98/76/21/798987621.db2.gz XSTOZCQVQVOQGZ-MEBFFEOJSA-N 2 0 261.369 -0.136 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC)C[C@@H]2O)CC1 ZINC001047638364 801915770 /nfs/dbraw/zinc/91/57/70/801915770.db2.gz OXNUXTQEUVZIRE-GJZGRUSLSA-N 2 0 293.411 -0.145 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834111 814304090 /nfs/dbraw/zinc/30/40/90/814304090.db2.gz OFJKCFXRCPFGTF-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001133834176 814304559 /nfs/dbraw/zinc/30/45/59/814304559.db2.gz PWLIHWUMYBLUMP-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)COCC[NH+](C)C ZINC001147885632 814921745 /nfs/dbraw/zinc/92/17/45/814921745.db2.gz OCFYRKMWYSEKGN-UHFFFAOYSA-N 2 0 273.377 -0.527 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[N@@H+](C)CCC ZINC001148577837 814950427 /nfs/dbraw/zinc/95/04/27/814950427.db2.gz GGOFIZHGNVYHOI-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+](C)CCC)C1=O ZINC001148643373 814954174 /nfs/dbraw/zinc/95/41/74/814954174.db2.gz XFRJLWDCTNODQU-ZDUSSCGKSA-N 2 0 296.415 -0.179 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cc1c[nH]cn1 ZINC001321661474 803797674 /nfs/dbraw/zinc/79/76/74/803797674.db2.gz MEFNEYDNDFDRBU-GHMZBOCLSA-N 2 0 293.371 -0.263 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001321709727 803804012 /nfs/dbraw/zinc/80/40/12/803804012.db2.gz GBFZPBNKFTUYMA-VXGBXAGGSA-N 2 0 282.388 -0.830 20 30 CBEDRP CC(C)(CC(N)=O)[NH2+]CC#CC[NH2+]C(C)(C)CC(N)=O ZINC001321920510 803837958 /nfs/dbraw/zinc/83/79/58/803837958.db2.gz JJSWVLDAYUMICE-UHFFFAOYSA-N 2 0 282.388 -0.523 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151072929 815056737 /nfs/dbraw/zinc/05/67/37/815056737.db2.gz AODNMPXJRFELOV-RYUDHWBXSA-N 2 0 282.388 -0.665 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001152136932 815106369 /nfs/dbraw/zinc/10/63/69/815106369.db2.gz JADCFDLRJYDGTL-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)CCC[NH+]1CCCC1 ZINC001152224273 815110936 /nfs/dbraw/zinc/11/09/36/815110936.db2.gz UEMSOHZPXAJERC-UHFFFAOYSA-N 2 0 295.387 -0.792 20 30 CBEDRP N#CCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340764 815116494 /nfs/dbraw/zinc/11/64/94/815116494.db2.gz XUWAYTHBUIGYBJ-UHFFFAOYSA-N 2 0 295.387 -0.792 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCCCC1 ZINC001152340560 815117061 /nfs/dbraw/zinc/11/70/61/815117061.db2.gz RTLRQKHHFIQJDN-UHFFFAOYSA-N 2 0 294.399 -0.682 20 30 CBEDRP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001155822367 815314685 /nfs/dbraw/zinc/31/46/85/815314685.db2.gz OTJXYYCAQQLGEO-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001090544542 810519735 /nfs/dbraw/zinc/51/97/35/810519735.db2.gz WABIFIIPGDZPFP-GJZGRUSLSA-N 2 0 293.411 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090537795 810520083 /nfs/dbraw/zinc/52/00/83/810520083.db2.gz NZIZTEDBTOQFRR-HUUCEWRRSA-N 2 0 293.411 -0.097 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001090544543 810521091 /nfs/dbraw/zinc/52/10/91/810521091.db2.gz WABIFIIPGDZPFP-HUUCEWRRSA-N 2 0 293.411 -0.097 20 30 CBEDRP C=CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730083 810558387 /nfs/dbraw/zinc/55/83/87/810558387.db2.gz FWPKHKLFAHUHFM-QWHCGFSZSA-N 2 0 279.384 -0.180 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001090730000 810558772 /nfs/dbraw/zinc/55/87/72/810558772.db2.gz DIABUFUEWUCCPV-ZIAGYGMSSA-N 2 0 291.395 -0.343 20 30 CBEDRP C#CCC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099974118 810981289 /nfs/dbraw/zinc/98/12/89/810981289.db2.gz NNMGBFZOCUXLIP-KGLIPLIRSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100073346 811013888 /nfs/dbraw/zinc/01/38/88/811013888.db2.gz CGXCCRUVOUQISH-ZIAGYGMSSA-N 2 0 297.399 -0.861 20 30 CBEDRP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082576 811016405 /nfs/dbraw/zinc/01/64/05/811016405.db2.gz FCKLILQVJXBDHT-KBPBESRZSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H](O)C1 ZINC001100082579 811017914 /nfs/dbraw/zinc/01/79/14/811017914.db2.gz FCKLILQVJXBDHT-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP CC(C)C[C@H](NC(=O)[C@H]([NH3+])CCC[NH3+])C(=O)NO ZINC001157303720 815421041 /nfs/dbraw/zinc/42/10/41/815421041.db2.gz LOPJXBUUAKWQHP-BDAKNGLRSA-N 2 0 260.338 -0.911 20 30 CBEDRP C[NH2+][C@@H](CCCC[NH3+])C(=O)N[C@@H](CC(C)C)C(=O)NO ZINC001157303779 815421304 /nfs/dbraw/zinc/42/13/04/815421304.db2.gz OESZRAMCSPHVHX-QWRGUYRKSA-N 2 0 288.392 -0.260 20 30 CBEDRP C#CC[C@]1(C(=O)N[C@@H](CCCC[NH3+])C(=O)NC)CCC[NH2+]1 ZINC001157335241 815424137 /nfs/dbraw/zinc/42/41/37/815424137.db2.gz DZNPJIONGPOMNF-SWLSCSKDSA-N 2 0 294.399 -0.508 20 30 CBEDRP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242132 812186699 /nfs/dbraw/zinc/18/66/99/812186699.db2.gz WCTRTRUZYGLKTI-BYNSBNAKSA-N 2 0 291.395 -0.366 20 30 CBEDRP C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)N1CC[NH+](C)CC1 ZINC001120573337 812994690 /nfs/dbraw/zinc/99/46/90/812994690.db2.gz CPBNLNJFVCVSMH-CABCVRRESA-N 2 0 297.447 -0.582 20 30 CBEDRP C=CC[C@]1(C(=O)N[C@H]2COC3(C[NH2+]C3)C2)CCC[NH2+]1 ZINC001122062966 813110251 /nfs/dbraw/zinc/11/02/51/813110251.db2.gz HBAMBJBAYJYDLY-BXUZGUMPSA-N 2 0 265.357 -0.068 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC001122067595 813111693 /nfs/dbraw/zinc/11/16/93/813111693.db2.gz IGDMORQUNCLLOZ-LBPRGKRZSA-N 2 0 276.344 -0.877 20 30 CBEDRP C=CC[C@@]1(C(=O)N(C)C[C@H](O)C[NH2+]C)CCC[NH2+]1 ZINC001122099066 813117119 /nfs/dbraw/zinc/11/71/19/813117119.db2.gz CODCFDXUBWQZMC-YPMHNXCESA-N 2 0 255.362 -0.277 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1COC ZINC001122330660 813147866 /nfs/dbraw/zinc/14/78/66/813147866.db2.gz GFBALUFFSZOFGK-ZJUUUORDSA-N 2 0 261.753 -0.097 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1COC ZINC001122330658 813148148 /nfs/dbraw/zinc/14/81/48/813148148.db2.gz GFBALUFFSZOFGK-UWVGGRQHSA-N 2 0 261.753 -0.097 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC[C@@](O)(C[NH+](C)C)C1 ZINC001123861363 813281104 /nfs/dbraw/zinc/28/11/04/813281104.db2.gz XMJMKRCCLDYXIK-CYBMUJFWSA-N 2 0 255.362 -0.371 20 30 CBEDRP C=CCOCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124878853 813494631 /nfs/dbraw/zinc/49/46/31/813494631.db2.gz PWKCLRNJAFJEKX-LBPRGKRZSA-N 2 0 255.362 -0.011 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124879602 813495364 /nfs/dbraw/zinc/49/53/64/813495364.db2.gz XIIBAQPUMJSZDA-GFCCVEGCSA-N 2 0 253.346 -0.564 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001127066354 813709340 /nfs/dbraw/zinc/70/93/40/813709340.db2.gz MEQFNSAOJKVYER-CYBMUJFWSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001127778466 813747507 /nfs/dbraw/zinc/74/75/07/813747507.db2.gz FQPBYENWZLARBF-RYUDHWBXSA-N 2 0 253.346 -0.259 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCNC(=O)C1([NH+](C)C)CCC1 ZINC001129350670 813836503 /nfs/dbraw/zinc/83/65/03/813836503.db2.gz DMKUGMSCBDTKJR-UHFFFAOYSA-N 2 0 282.388 -0.521 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001129364140 813838578 /nfs/dbraw/zinc/83/85/78/813838578.db2.gz PXISWSXOQGHVOQ-AWEZNQCLSA-N 2 0 279.384 -0.031 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+](C)C1CCC1 ZINC001129535501 813849057 /nfs/dbraw/zinc/84/90/57/813849057.db2.gz VHJBNQISVSUOLC-LBPRGKRZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001129949979 813883119 /nfs/dbraw/zinc/88/31/19/813883119.db2.gz NBPMIHZQFGIGCM-OLZOCXBDSA-N 2 0 296.415 -0.584 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001130200846 813915385 /nfs/dbraw/zinc/91/53/85/813915385.db2.gz OOVMYFYWMZTORU-NWDGAFQWSA-N 2 0 282.388 -0.830 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805615 813983136 /nfs/dbraw/zinc/98/31/36/813983136.db2.gz DIHLKYTXTNFJCZ-UHFFFAOYSA-N 2 0 292.383 -0.930 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)C12CCC[NH+]1CCC2 ZINC001130805541 813983294 /nfs/dbraw/zinc/98/32/94/813983294.db2.gz AGWZVXKQHOJPGD-UHFFFAOYSA-N 2 0 279.384 -0.030 20 30 CBEDRP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132848302 814191810 /nfs/dbraw/zinc/19/18/10/814191810.db2.gz DLYNYTBZHPOUNT-CQSZACIVSA-N 2 0 297.399 -0.549 20 30 CBEDRP C=CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132858669 814195809 /nfs/dbraw/zinc/19/58/09/814195809.db2.gz DURBEGUUTQNFBT-GFCCVEGCSA-N 2 0 255.362 -0.013 20 30 CBEDRP C#CC[NH2+]CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001132859130 814195998 /nfs/dbraw/zinc/19/59/98/814195998.db2.gz WWZGBYVYDQAVJH-GFCCVEGCSA-N 2 0 253.346 -0.565 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001132886486 814197347 /nfs/dbraw/zinc/19/73/47/814197347.db2.gz ODVFVZXEBKLHGF-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCC[NH+](C)C ZINC001133051393 814212339 /nfs/dbraw/zinc/21/23/39/814212339.db2.gz FNNIFRUTVJQTPF-GFCCVEGCSA-N 2 0 282.388 -0.828 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001133849617 814308594 /nfs/dbraw/zinc/30/85/94/814308594.db2.gz AQCSTRJQVWHVEF-CHWSQXEVSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CC[NH2+]CCNC(=O)COC[C@H](C)[NH+]1CCCC1 ZINC001134054294 814346714 /nfs/dbraw/zinc/34/67/14/814346714.db2.gz DSLLOPGUTWSSDD-ZDUSSCGKSA-N 2 0 267.373 -0.174 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001159915283 815605097 /nfs/dbraw/zinc/60/50/97/815605097.db2.gz IUMHXDMRDXZNMG-CQSZACIVSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001159997376 815606428 /nfs/dbraw/zinc/60/64/28/815606428.db2.gz OESJDSWKZILQSN-UHFFFAOYSA-N 2 0 294.399 -0.684 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001135371837 814470568 /nfs/dbraw/zinc/47/05/68/814470568.db2.gz JLZZMTCKUCWOPT-STQMWFEESA-N 2 0 296.415 -0.440 20 30 CBEDRP C[N@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001159997099 815606761 /nfs/dbraw/zinc/60/67/61/815606761.db2.gz FWPSFNUYRUPKNP-UHFFFAOYSA-N 2 0 295.387 -0.794 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[NH+](CC)CC ZINC001135513458 814481634 /nfs/dbraw/zinc/48/16/34/814481634.db2.gz PBAXLKKJKHLXMN-GFCCVEGCSA-N 2 0 284.404 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001135702711 814512021 /nfs/dbraw/zinc/51/20/21/814512021.db2.gz OGGCZDGNEKIKJT-UHFFFAOYSA-N 2 0 294.399 -0.827 20 30 CBEDRP C=CCN1CCN(C(=O)[C@H]2C[NH2+]CC23C[NH2+]C3)CC1 ZINC001160431944 815620383 /nfs/dbraw/zinc/62/03/83/815620383.db2.gz JEBLHUXYOXRAON-GFCCVEGCSA-N 2 0 264.373 -0.874 20 30 CBEDRP C#CC[NH2+]CCNC(=O)COC1CC[NH+](C)CC1 ZINC001135958508 814541211 /nfs/dbraw/zinc/54/12/11/814541211.db2.gz BAGYMFIRAJUJOV-UHFFFAOYSA-N 2 0 253.346 -0.564 20 30 CBEDRP N#Cc1ccccc1C[C@H]([NH3+])C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC001160644139 815651023 /nfs/dbraw/zinc/65/10/23/815651023.db2.gz ULDFJMOIDQFZPW-KBPBESRZSA-N 2 0 288.351 -0.386 20 30 CBEDRP N#C[C@@H]1CN(C(=O)[C@@H]2CCC3(CC[NH2+]CC3)[NH2+]2)CCN1 ZINC001160650473 815652001 /nfs/dbraw/zinc/65/20/01/815652001.db2.gz DAPUBHSZLAVLAZ-NEPJUHHUSA-N 2 0 277.372 -0.815 20 30 CBEDRP CCCCN(CC#N)C(=O)[C@@H]1C[NH2+]CC12C[NH2+]C2 ZINC001160730499 815665726 /nfs/dbraw/zinc/66/57/26/815665726.db2.gz QHGQNITZSIZRHT-NSHDSACASA-N 2 0 250.346 -0.052 20 30 CBEDRP C[NH+](C)CCCC[C@H]([NH3+])C(=O)N1CCOC[C@@H]1C#N ZINC001160934251 815688438 /nfs/dbraw/zinc/68/84/38/815688438.db2.gz ZHJRTEBLNKITJO-RYUDHWBXSA-N 2 0 268.361 -0.203 20 30 CBEDRP N#C[C@H]1COCCN1C(=O)[C@H]1CCC2(CC[NH2+]CC2)[NH2+]1 ZINC001160933515 815688843 /nfs/dbraw/zinc/68/88/43/815688843.db2.gz LNKCLCXTJOVUTR-NWDGAFQWSA-N 2 0 278.356 -0.388 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)N1CC(O)([C@H]2CCCC[NH2+]2)C1 ZINC001161007964 815694709 /nfs/dbraw/zinc/69/47/09/815694709.db2.gz MCAYTPLGCGDPMG-PWSUYJOCSA-N 2 0 251.330 -0.948 20 30 CBEDRP N#Cc1ccc([C@@H](C(=O)N2CC[NH2+]C2)N2CC[NH2+]CC2)cc1 ZINC001161419146 815754790 /nfs/dbraw/zinc/75/47/90/815754790.db2.gz ZYVXMWGBRJGHMD-HNNXBMFYSA-N 2 0 299.378 -0.106 20 30 CBEDRP CO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2C#N)C[C@@H]1[NH3+] ZINC001161491615 815761029 /nfs/dbraw/zinc/76/10/29/815761029.db2.gz GHSRJPAMIOSTDD-MELADBBJSA-N 2 0 288.351 -0.387 20 30 CBEDRP COC(=O)C1(C#N)CCN(C(=O)[C@@H]([NH3+])CCC[NH3+])CC1 ZINC001161489837 815761790 /nfs/dbraw/zinc/76/17/90/815761790.db2.gz XLGKSJZHNNCDCS-JTQLQIEISA-N 2 0 282.344 -0.642 20 30 CBEDRP C=CCOC(=O)N[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCC[NH3+])C1 ZINC001161537065 815769378 /nfs/dbraw/zinc/76/93/78/815769378.db2.gz OZJDIXHBDDKQEG-VXGBXAGGSA-N 2 0 298.387 -0.044 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001292493791 816455005 /nfs/dbraw/zinc/45/50/05/816455005.db2.gz AGDIYXOHAJHCPL-CYBMUJFWSA-N 2 0 296.415 -0.192 20 30 CBEDRP C#CC[NH2+]CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001317586876 817024455 /nfs/dbraw/zinc/02/44/55/817024455.db2.gz AISWKRUBHQYFOE-UHFFFAOYSA-N 2 0 277.372 -0.261 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001317595484 817026299 /nfs/dbraw/zinc/02/62/99/817026299.db2.gz DTQOYUZSPHSSDR-UHFFFAOYSA-N 2 0 294.399 -0.732 20 30 CBEDRP C=CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317627048 817032478 /nfs/dbraw/zinc/03/24/78/817032478.db2.gz RLTQKADMHAHTEL-CYBMUJFWSA-N 2 0 296.415 -0.322 20 30 CBEDRP C=C(C)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001320232301 817299696 /nfs/dbraw/zinc/29/96/96/817299696.db2.gz OESHSEDBXUGDNY-KGLIPLIRSA-N 2 0 281.400 -0.029 20 30 CBEDRP C=CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001320231364 817300331 /nfs/dbraw/zinc/30/03/31/817300331.db2.gz MJEVAMIZTHRRNU-RWMBFGLXSA-N 2 0 269.389 -0.031 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320295413 817317479 /nfs/dbraw/zinc/31/74/79/817317479.db2.gz JBIBCCXHHZDQMK-NWDGAFQWSA-N 2 0 253.346 -0.972 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320296672 817318983 /nfs/dbraw/zinc/31/89/83/817318983.db2.gz VCAKXJVCUDTLNW-STQMWFEESA-N 2 0 267.373 -0.582 20 30 CBEDRP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320372900 817329270 /nfs/dbraw/zinc/32/92/70/817329270.db2.gz RSPOOXCRSIGFDT-QWHCGFSZSA-N 2 0 296.415 -0.133 20 30 CBEDRP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001320921634 817410805 /nfs/dbraw/zinc/41/08/05/817410805.db2.gz OFERAIWGUDIPAZ-LBPRGKRZSA-N 2 0 295.387 -0.984 20 30 CBEDRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166668284 820012792 /nfs/dbraw/zinc/01/27/92/820012792.db2.gz XUKUZXQFAAVIJJ-GFCCVEGCSA-N 2 0 295.387 -0.936 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[NH+](CC)CC ZINC001168762751 820179867 /nfs/dbraw/zinc/17/98/67/820179867.db2.gz HZAMQRPMHWEYCE-ZDUSSCGKSA-N 2 0 296.415 -0.438 20 30 CBEDRP CCC[N@H+](C)CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001171725514 820368855 /nfs/dbraw/zinc/36/88/55/820368855.db2.gz NNGIIJHTJOKZNW-UHFFFAOYSA-N 2 0 297.403 -0.546 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+](C)CCC ZINC001171757933 820369576 /nfs/dbraw/zinc/36/95/76/820369576.db2.gz PECPAIVCLJRPIQ-UHFFFAOYSA-N 2 0 282.388 -0.827 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[N@@H+](C)CCC ZINC001171725458 820371000 /nfs/dbraw/zinc/37/10/00/820371000.db2.gz LKZSYNPYTFKZON-UHFFFAOYSA-N 2 0 296.415 -0.436 20 30 CBEDRP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001176063892 820438119 /nfs/dbraw/zinc/43/81/19/820438119.db2.gz IFNHEXRLKZHAJI-STQMWFEESA-N 2 0 294.399 -0.828 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001176096486 820440636 /nfs/dbraw/zinc/44/06/36/820440636.db2.gz SDWWFMYLMQTBHD-CHWSQXEVSA-N 2 0 296.415 -0.275 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)COCC[NH+](C)C)[C@H]1C ZINC001179929334 820646997 /nfs/dbraw/zinc/64/69/97/820646997.db2.gz JNUKHRJFJCAFMH-STQMWFEESA-N 2 0 267.373 -0.223 20 30 CBEDRP C=CC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1C[N@@H+](C)CCN1C ZINC001185266769 821119832 /nfs/dbraw/zinc/11/98/32/821119832.db2.gz FXZLAPKMUJHYNF-KBPBESRZSA-N 2 0 280.416 -0.001 20 30 CBEDRP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001281161926 828405668 /nfs/dbraw/zinc/40/56/68/828405668.db2.gz AXZFCFXDFJJIBT-HOCLYGCPSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001283812974 828551497 /nfs/dbraw/zinc/55/14/97/828551497.db2.gz KXQRHXNKARXVEE-KGLIPLIRSA-N 2 0 281.400 -0.049 20 30 CBEDRP C#CC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189794690 823774933 /nfs/dbraw/zinc/77/49/33/823774933.db2.gz VLFBKKXHHPGUAZ-UONOGXRCSA-N 2 0 279.384 -0.270 20 30 CBEDRP CC#CC[NH2+]C1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC001199942994 824297378 /nfs/dbraw/zinc/29/73/78/824297378.db2.gz DEUPSEZLBVAOSW-CQSZACIVSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200114344 824306501 /nfs/dbraw/zinc/30/65/01/824306501.db2.gz CPTIOULLDQLWKJ-KGLIPLIRSA-N 2 0 279.384 -0.079 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@@H]([NH3+])CSCC[NH3+])c(C#C)n1 ZINC001218657525 824618722 /nfs/dbraw/zinc/61/87/22/824618722.db2.gz MOMZCOXDYHOXQN-JTQLQIEISA-N 2 0 289.364 -0.603 20 30 CBEDRP C#Cc1cnc(NC(=O)[C@H]([NH3+])CCC[NH3+])c(C#C)n1 ZINC001218657929 824618810 /nfs/dbraw/zinc/61/88/10/824618810.db2.gz XGVYTZLCSLBARK-SNVBAGLBSA-N 2 0 257.297 -0.556 20 30 CBEDRP N#Cc1ccc([C@H](C(=O)NCC[NH3+])N2CC[NH2+]CC2)cc1 ZINC001219870728 824905887 /nfs/dbraw/zinc/90/58/87/824905887.db2.gz RJMPTESBEZCFIP-CQSZACIVSA-N 2 0 287.367 -0.421 20 30 CBEDRP N#CN=C(NC(=O)[C@@H]([NH3+])C1CC[NH2+]CC1)c1ccncc1 ZINC001219972224 824925739 /nfs/dbraw/zinc/92/57/39/824925739.db2.gz MPRCWRNBJNPBNB-LBPRGKRZSA-N 2 0 286.339 -0.248 20 30 CBEDRP C=C(C)C(=O)NCCCNC(=O)[C@H]([NH3+])CCC[NH3+] ZINC001220043250 824942528 /nfs/dbraw/zinc/94/25/28/824942528.db2.gz LBHLGSFDKHCMCD-SNVBAGLBSA-N 2 0 256.350 -0.749 20 30 CBEDRP C=CCOCC[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220238376 824991162 /nfs/dbraw/zinc/99/11/62/824991162.db2.gz UAJVIMOQYXVOAC-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP COC(=O)n1ncc(C#N)c1NC(=O)[C@@H]([NH3+])CCCC[NH3+] ZINC001220415553 825034196 /nfs/dbraw/zinc/03/41/96/825034196.db2.gz OKPBUJAPXQNXTG-VIFPVBQESA-N 2 0 294.315 -0.236 20 30 CBEDRP C#C[C@](C)([NH3+])C(=O)NC1=C(C(=O)OCC)C[NH2+]CC1 ZINC001220523149 825055080 /nfs/dbraw/zinc/05/50/80/825055080.db2.gz KAFZXMKOHOLCAY-ZDUSSCGKSA-N 2 0 265.313 -0.736 20 30 CBEDRP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220829656 825108118 /nfs/dbraw/zinc/10/81/18/825108118.db2.gz YJEABFXMOFXCIH-KGLIPLIRSA-N 2 0 299.415 -0.308 20 30 CBEDRP CCC[N@H+](C)CC(=O)N[C@@H]1CN(CC#CCOC)C[C@@H]1O ZINC001220829528 825108181 /nfs/dbraw/zinc/10/81/81/825108181.db2.gz WDTJNRNNPMURBN-KGLIPLIRSA-N 2 0 297.399 -0.861 20 30 CBEDRP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1COC2(C[NH2+]C2)CN1 ZINC001220868376 825114831 /nfs/dbraw/zinc/11/48/31/825114831.db2.gz HOZAMVXKPBIPLH-STQMWFEESA-N 2 0 294.399 -0.917 20 30 CBEDRP CC[C@H](CC#N)NC(=O)[C@H]([NH3+])CN1CCC([NH3+])CC1 ZINC001220898169 825122874 /nfs/dbraw/zinc/12/28/74/825122874.db2.gz ABCASBVPKQSQJS-VXGBXAGGSA-N 2 0 267.377 -0.455 20 30 CBEDRP C=CC[NH2+]CCN1[C@H](C(=O)OCC)C[C@H]2C[NH2+]C[C@H]21 ZINC001235323673 825492051 /nfs/dbraw/zinc/49/20/51/825492051.db2.gz HMMMDNDAIPTSCR-RWMBFGLXSA-N 2 0 267.373 -0.013 20 30 CBEDRP Cn1cc(CN2CC[NH2+]CCNCC[NH2+]CC2)cc1C#N ZINC001235871005 825516308 /nfs/dbraw/zinc/51/63/08/825516308.db2.gz QTKVQAUOXGLCPH-UHFFFAOYSA-N 2 0 290.415 -0.519 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+][C@@H](CCCC[NH3+])C(=O)NC ZINC001246020150 825622123 /nfs/dbraw/zinc/62/21/23/825622123.db2.gz MYMRDRCYXAZTQJ-NEPJUHHUSA-N 2 0 273.377 -0.617 20 30 CBEDRP C#CCOC[C@H](O)C[N@H+]1CCCC[C@](O)(C[NH3+])C1 ZINC001246028090 825625819 /nfs/dbraw/zinc/62/58/19/825625819.db2.gz ZUZCCXFNIWBUMN-OLZOCXBDSA-N 2 0 256.346 -0.827 20 30 CBEDRP C=CCN1CCC[C@@H]([NH2+][C@@H]2CCNC3(C[NH2+]C3)C2)C1=O ZINC001246363069 825668711 /nfs/dbraw/zinc/66/87/11/825668711.db2.gz OVQITENOVNEZHC-CHWSQXEVSA-N 2 0 278.400 -0.153 20 30 CBEDRP C=CCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246774000 825710750 /nfs/dbraw/zinc/71/07/50/825710750.db2.gz DVCSOMHIWDVYIS-CYBMUJFWSA-N 2 0 250.390 -0.116 20 30 CBEDRP N#CCCN1CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246790919 825712029 /nfs/dbraw/zinc/71/20/29/825712029.db2.gz OSFQLPFDWSOGBZ-CYBMUJFWSA-N 2 0 263.389 -0.388 20 30 CBEDRP N#C[C@@H]1CC[C@H](N2CC[NH2+]CCNCC[NH2+]CC2)C1 ZINC001246820217 825716014 /nfs/dbraw/zinc/71/60/14/825716014.db2.gz JNNHIGRDXWVZJM-KGLIPLIRSA-N 2 0 265.405 -0.237 20 30 CBEDRP COC(=O)C1(C#N)CC[NH+]([C@@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246982933 825739246 /nfs/dbraw/zinc/73/92/46/825739246.db2.gz KCRKPFRGTJRDFS-GFCCVEGCSA-N 2 0 292.383 -0.141 20 30 CBEDRP COC(=O)C1(C#N)CC[NH+]([C@H]2CCNC3(C[NH2+]C3)C2)CC1 ZINC001246982934 825739692 /nfs/dbraw/zinc/73/96/92/825739692.db2.gz KCRKPFRGTJRDFS-LBPRGKRZSA-N 2 0 292.383 -0.141 20 30 CBEDRP C#CCOC[C@@H](O)C[NH+]1CCN(CCC[NH+](C)C)CC1 ZINC001251851243 825795882 /nfs/dbraw/zinc/79/58/82/825795882.db2.gz HDPQKQAKRKMPDL-HNNXBMFYSA-N 2 0 283.416 -0.434 20 30 CBEDRP C=CCOC[C@H](O)C[N@H+](C)CCN1CC[NH+](C)CC1 ZINC001252471434 825868569 /nfs/dbraw/zinc/86/85/69/825868569.db2.gz XNVRSYWQMBJMGV-CQSZACIVSA-N 2 0 271.405 -0.271 20 30 CBEDRP C=CCOC[C@H](O)C[NH2+]CCN1CCC[N@@H+](C)CC1 ZINC001252488780 825872183 /nfs/dbraw/zinc/87/21/83/825872183.db2.gz SFEWDUXIKPVMBF-CQSZACIVSA-N 2 0 271.405 -0.223 20 30 CBEDRP N#CCCC[C@@H]([NH3+])C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC001261647329 826556900 /nfs/dbraw/zinc/55/69/00/826556900.db2.gz PWKYAWPFEGQPPU-SNVBAGLBSA-N 2 0 252.318 -0.792 20 30 CBEDRP C[NH2+][C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC001262034760 826626493 /nfs/dbraw/zinc/62/64/93/826626493.db2.gz MXPWEGBMVQBMGS-ATJQQHLPSA-N 2 0 262.357 -0.054 20 30 CBEDRP C#CC[NH2+]CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC001263097512 826736727 /nfs/dbraw/zinc/73/67/27/826736727.db2.gz ZAZYGZOCJZPONZ-UHFFFAOYSA-N 2 0 280.416 -0.401 20 30 CBEDRP C#CC[NH2+]CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC001263111600 826740789 /nfs/dbraw/zinc/74/07/89/826740789.db2.gz IGSGKARXOPXWCP-UHFFFAOYSA-N 2 0 292.427 -0.305 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001265784075 826918618 /nfs/dbraw/zinc/91/86/18/826918618.db2.gz UVNYTBAZRGALSV-LBPRGKRZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001265863784 826930837 /nfs/dbraw/zinc/93/08/37/826930837.db2.gz KTSKKMPIMILUKC-CHWSQXEVSA-N 2 0 296.415 -0.133 20 30 CBEDRP C[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC(=O)NCC#N ZINC001266190142 826960328 /nfs/dbraw/zinc/96/03/28/826960328.db2.gz ZFVBDBZTUXEHJZ-LBPRGKRZSA-N 2 0 295.387 -0.794 20 30 CBEDRP COCC#CC[N@H+](C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001266265600 826966606 /nfs/dbraw/zinc/96/66/06/826966606.db2.gz JKUMFJYPYGJRNV-ZDUSSCGKSA-N 2 0 283.372 -0.985 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266515366 827015136 /nfs/dbraw/zinc/01/51/36/827015136.db2.gz WOMKPGYNNJTFBC-STQMWFEESA-N 2 0 292.383 -0.980 20 30 CBEDRP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001266585046 827027523 /nfs/dbraw/zinc/02/75/23/827027523.db2.gz SNLYGMOXRWRUDZ-AVGNSLFASA-N 2 0 265.357 -0.423 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266673927 827046459 /nfs/dbraw/zinc/04/64/59/827046459.db2.gz HDVRPVOGYAQRMU-XQQFMLRXSA-N 2 0 292.383 -0.933 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266951196 827095754 /nfs/dbraw/zinc/09/57/54/827095754.db2.gz RTGGHOWXGHJDTM-JSGCOSHPSA-N 2 0 296.415 -0.584 20 30 CBEDRP CC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001268308063 827291982 /nfs/dbraw/zinc/29/19/82/827291982.db2.gz MPIZWIKRZGNMKP-FRRDWIJNSA-N 2 0 267.373 -0.583 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001268311812 827292957 /nfs/dbraw/zinc/29/29/57/827292957.db2.gz PILRFGFSMMRMMD-AWEZNQCLSA-N 2 0 293.411 -0.048 20 30 CBEDRP COCC#CC[NH2+]C/C=C/CNC(=O)C[NH+]1CCCC1 ZINC001268626221 827383350 /nfs/dbraw/zinc/38/33/50/827383350.db2.gz ZJXXECOJDBVJCX-NSCUHMNNSA-N 2 0 279.384 -0.006 20 30 CBEDRP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CCO)CC1 ZINC001270331642 827558898 /nfs/dbraw/zinc/55/88/98/827558898.db2.gz KMLGZNJFZPDWRN-OAHLLOKOSA-N 2 0 293.411 -0.001 20 30 CBEDRP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001271191678 827674296 /nfs/dbraw/zinc/67/42/96/827674296.db2.gz GKCGSWKTQMRPJK-GOEBONIOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001271931765 827735333 /nfs/dbraw/zinc/73/53/33/827735333.db2.gz GFMNYJSIEUUCRG-CQSZACIVSA-N 2 0 292.427 -0.259 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)CC[NH+]1CCCCC1 ZINC001272314943 827779346 /nfs/dbraw/zinc/77/93/46/827779346.db2.gz FAACCOLDMXPPIR-UHFFFAOYSA-N 2 0 281.400 -0.094 20 30 CBEDRP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CN(C)CCO2)CCO1 ZINC001273244372 827876892 /nfs/dbraw/zinc/87/68/92/827876892.db2.gz PZBQWKOQVNNQPT-KBPBESRZSA-N 2 0 295.383 -0.843 20 30 CBEDRP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)C[NH+]1CCCC1 ZINC001273753623 827924804 /nfs/dbraw/zinc/92/48/04/827924804.db2.gz XQJJETIBBJIVSB-UHFFFAOYSA-N 2 0 294.399 -0.730 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001273929446 827942524 /nfs/dbraw/zinc/94/25/24/827942524.db2.gz KMBZTXUJGTWPLO-GOEBONIOSA-N 2 0 293.411 -0.096 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001274689970 828020522 /nfs/dbraw/zinc/02/05/22/828020522.db2.gz OXVGXDKFUNSQMQ-QWHCGFSZSA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CCC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274942281 828043969 /nfs/dbraw/zinc/04/39/69/828043969.db2.gz WDHSEHMFRWXFAO-CQSZACIVSA-N 2 0 293.411 -0.096 20 30 CBEDRP COCC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001275098340 828057504 /nfs/dbraw/zinc/05/75/04/828057504.db2.gz CPYLLACIDYDJPR-STQMWFEESA-N 2 0 267.373 -0.175 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001278140167 828251669 /nfs/dbraw/zinc/25/16/69/828251669.db2.gz YNCSDQJPIVAMAC-GFCCVEGCSA-N 2 0 267.373 -0.582 20 30 CBEDRP C#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278829005 828293542 /nfs/dbraw/zinc/29/35/42/828293542.db2.gz SFWSJKYQQSNGHZ-AWEZNQCLSA-N 2 0 267.373 -0.487 20 30 CBEDRP C#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001278860360 828300140 /nfs/dbraw/zinc/30/01/40/828300140.db2.gz VGDICYMWGPYBFW-KGLIPLIRSA-N 2 0 283.416 -0.043 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001331725906 886939481 /nfs/dbraw/zinc/93/94/81/886939481.db2.gz QXRBLMKFOJPYHD-ZIAGYGMSSA-N 2 0 281.400 -0.049 20 30 CBEDRP C=CC[NH2+][C@@H](CO)CNC(=O)CCc1cncn1C ZINC001331818144 886998988 /nfs/dbraw/zinc/99/89/88/886998988.db2.gz COPUQHSITJHBET-LLVKDONJSA-N 2 0 266.345 -0.395 20 30 CBEDRP C[C@H](C[NH3+])N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC001331957193 887061214 /nfs/dbraw/zinc/06/12/14/887061214.db2.gz IQSWAOLUPUYGQN-YLXHPXFOSA-N 2 0 250.346 -0.069 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[NH+]1CCCC1 ZINC001328452292 885691024 /nfs/dbraw/zinc/69/10/24/885691024.db2.gz YYGZQTXPIALVOY-ZDUSSCGKSA-N 2 0 294.399 -0.684 20 30 CBEDRP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001329202503 885965954 /nfs/dbraw/zinc/96/59/54/885965954.db2.gz KYRJKTFYPPETET-NWDGAFQWSA-N 2 0 297.403 -0.551 20 30 CBEDRP C=C(C)CN(C)C(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC001329458247 886076239 /nfs/dbraw/zinc/07/62/39/886076239.db2.gz YAQISJKRJHTZMR-UHFFFAOYSA-N 2 0 298.431 -0.027 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC(O)(C[NH3+])CC1 ZINC001331053151 886660649 /nfs/dbraw/zinc/66/06/49/886660649.db2.gz MJEQKZZDHMSTAA-VIFPVBQESA-N 2 0 261.753 -0.232 20 30 CBEDRP CC#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001331683433 886904570 /nfs/dbraw/zinc/90/45/70/886904570.db2.gz KFEWTOBUCSUDNF-RYUDHWBXSA-N 2 0 253.346 -0.829 20 30 CBEDRP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331712426 886927002 /nfs/dbraw/zinc/92/70/02/886927002.db2.gz OIYBTYNMJJXUDT-JHJVBQTASA-N 2 0 267.373 -0.583 20 30 CBEDRP C=C(C)C[NH2+][C@@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001331738287 886945153 /nfs/dbraw/zinc/94/51/53/886945153.db2.gz FTAAIRQABUUCBA-VXGBXAGGSA-N 2 0 257.378 -0.031 20 30 CBEDRP C=CC[NH2+][C@H](CO)CNC(=O)CCc1cncn1C ZINC001331818145 886997938 /nfs/dbraw/zinc/99/79/38/886997938.db2.gz COPUQHSITJHBET-NSHDSACASA-N 2 0 266.345 -0.395 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]CCOC)CC1 ZINC001331843751 887008133 /nfs/dbraw/zinc/00/81/33/887008133.db2.gz XMIDCHBODXPPTH-CQSZACIVSA-N 2 0 297.399 -0.955 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001331841381 887009435 /nfs/dbraw/zinc/00/94/35/887009435.db2.gz MAVGAMCCTGMLAU-UONOGXRCSA-N 2 0 281.400 -0.193 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCN(CC(N)=O)C1 ZINC001331914685 887041847 /nfs/dbraw/zinc/04/18/47/887041847.db2.gz HUEOMQFQEQLFSQ-GFCCVEGCSA-N 2 0 282.388 -0.440 20 30 CBEDRP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001332522067 887337194 /nfs/dbraw/zinc/33/71/94/887337194.db2.gz MLUMXSLZPIBWLE-ZIAGYGMSSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1ccnc1C ZINC001332676439 887400270 /nfs/dbraw/zinc/40/02/70/887400270.db2.gz CDRDYXJFDRPQEZ-AWEZNQCLSA-N 2 0 292.383 -0.034 20 30 CBEDRP C#CC[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001332677412 887401140 /nfs/dbraw/zinc/40/11/40/887401140.db2.gz RPAXTRFNMWPDEB-CYBMUJFWSA-N 2 0 269.389 -0.289 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC[C@H](C)[NH3+])CC1 ZINC001333625127 887723604 /nfs/dbraw/zinc/72/36/04/887723604.db2.gz ISMKYVCWYBSCPD-LBPRGKRZSA-N 2 0 296.415 -0.003 20 30 CBEDRP C[NH+]1CCN(CC[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001335317696 888497882 /nfs/dbraw/zinc/49/78/82/888497882.db2.gz PPKGNDWPBFVAJR-CYBMUJFWSA-N 2 0 266.389 -0.122 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCCN1CC[NH+](C)CC1 ZINC001336755362 888868143 /nfs/dbraw/zinc/86/81/43/888868143.db2.gz IBTWQEQJJRHJJB-UHFFFAOYSA-N 2 0 266.389 -0.647 20 30 CBEDRP C#CC[NH2+]CC(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC001340106398 889385468 /nfs/dbraw/zinc/38/54/68/889385468.db2.gz UHAVYSFPRIXYDA-GFCCVEGCSA-N 2 0 255.362 -0.318 20 30 CBEDRP N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C2CC[NH2+]CC2)CC1 ZINC001340267589 889416882 /nfs/dbraw/zinc/41/68/82/889416882.db2.gz UHJRWYGPNXYKND-JQWIXIFHSA-N 2 0 262.357 -0.006 20 30 CBEDRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]([NH3+])CCCC#N ZINC001345767465 890162560 /nfs/dbraw/zinc/16/25/60/890162560.db2.gz TXIRYWPTGKRSFD-QWHCGFSZSA-N 2 0 281.404 -0.240 20 30 CBEDRP C[NH+](C)CC#CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC001346236508 890245480 /nfs/dbraw/zinc/24/54/80/890245480.db2.gz HIGYDRHKCOPAFY-STQMWFEESA-N 2 0 256.346 -0.957 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC001346275622 890252668 /nfs/dbraw/zinc/25/26/68/890252668.db2.gz IGKLQQOZLGRBIU-UHFFFAOYSA-N 2 0 281.400 -0.049 20 30 CBEDRP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1CCC[NH2+]1)C2 ZINC001349808208 890893958 /nfs/dbraw/zinc/89/39/58/890893958.db2.gz MGEBANKFXMCSKQ-CBKZZEEASA-N 2 0 262.357 -0.006 20 30 CBEDRP CCN(CC[NH3+])C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC001349816573 890897012 /nfs/dbraw/zinc/89/70/12/890897012.db2.gz QFFYOUHTOZVJDK-AKJDGMEZSA-N 2 0 250.346 -0.067 20 30 CBEDRP C#C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCOCC1 ZINC001350433192 890985686 /nfs/dbraw/zinc/98/56/86/890985686.db2.gz KJPAVPZPXMIDDU-HOTGVXAUSA-N 2 0 295.427 -0.387 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001350718018 891031467 /nfs/dbraw/zinc/03/14/67/891031467.db2.gz VSUXOMPPFQRSLP-UHFFFAOYSA-N 2 0 280.416 -0.048 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC001351154646 891113972 /nfs/dbraw/zinc/11/39/72/891113972.db2.gz FVKVWZLREVNGDB-UTUOFQBUSA-N 2 0 250.346 -0.006 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC([NH2+][C@H]3CCOC3)C2)CC1 ZINC001456298771 914457379 /nfs/dbraw/zinc/45/73/79/914457379.db2.gz PKIKDFNXIUEUBH-AWEZNQCLSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001502581339 921370780 /nfs/dbraw/zinc/37/07/80/921370780.db2.gz YCBXHUCAXJUMOB-UKRRQHHQSA-N 2 0 279.384 -0.343 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001507478067 921843597 /nfs/dbraw/zinc/84/35/97/921843597.db2.gz DZTBPRPBFQCYDJ-HZSPNIEDSA-N 2 0 281.400 -0.241 20 30 CBEDRP C[C@H](NC(=O)CC[NH+](C)C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001505683269 921467164 /nfs/dbraw/zinc/46/71/64/921467164.db2.gz ZAGIADQMGDSPSI-QWRGUYRKSA-N 2 0 283.376 -0.939 20 30 CBEDRP C#CC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001507228911 921760470 /nfs/dbraw/zinc/76/04/70/921760470.db2.gz XSVYBJDCRJRREK-KGLIPLIRSA-N 2 0 281.400 -0.192 20 30 CBEDRP C#CC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001507228913 921761669 /nfs/dbraw/zinc/76/16/69/921761669.db2.gz XSVYBJDCRJRREK-ZIAGYGMSSA-N 2 0 281.400 -0.192 20 30 CBEDRP C=CCC[NH2+][C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC001507262726 921793226 /nfs/dbraw/zinc/79/32/26/921793226.db2.gz ZMDLUHGUKMDMQZ-GFCCVEGCSA-N 2 0 255.362 -0.275 20 30 CBEDRP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001480120721 916292687 /nfs/dbraw/zinc/29/26/87/916292687.db2.gz RIHWPKPNYKVIJH-ZDUSSCGKSA-N 2 0 294.399 -0.732 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001482742510 917246871 /nfs/dbraw/zinc/24/68/71/917246871.db2.gz RRGSVLGMNGDVNL-NWDGAFQWSA-N 2 0 255.362 -0.583 20 30 CBEDRP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001482742511 917249028 /nfs/dbraw/zinc/24/90/28/917249028.db2.gz RRGSVLGMNGDVNL-VXGBXAGGSA-N 2 0 255.362 -0.583 20 30 CBEDRP C=CC[NH2+]C[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001482763925 917262786 /nfs/dbraw/zinc/26/27/86/917262786.db2.gz GBQNMQPNZWPBJU-VXGBXAGGSA-N 2 0 257.378 -0.175 20 30 CBEDRP C=CCNC(=O)C[NH2+]C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483266364 917500368 /nfs/dbraw/zinc/50/03/68/917500368.db2.gz JBTUGJYLQGRCNF-STQMWFEESA-N 2 0 296.415 -0.275 20 30 CBEDRP CC[C@@H](C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1)[NH+](C)C ZINC001483768068 917677629 /nfs/dbraw/zinc/67/76/29/917677629.db2.gz JHWLTSDVOUMVSU-NSHDSACASA-N 2 0 295.387 -0.795 20 30 CBEDRP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCC[N@H+]1CCC ZINC001484483933 917870595 /nfs/dbraw/zinc/87/05/95/917870595.db2.gz GLIOKQTVCINKRL-CQSZACIVSA-N 2 0 281.400 -0.096 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCO)CC1 ZINC001485960638 918238705 /nfs/dbraw/zinc/23/87/05/918238705.db2.gz JMQJJIOLSDNGOF-ZDUSSCGKSA-N 2 0 281.400 -0.240 20 30 CBEDRP CN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001493601399 919590053 /nfs/dbraw/zinc/59/00/53/919590053.db2.gz ZSUKUDLOCQEHJI-GFCCVEGCSA-N 2 0 295.387 -0.842 20 30 CBEDRP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496149836 920035460 /nfs/dbraw/zinc/03/54/60/920035460.db2.gz NFUWAHVCTLTRSM-QWHCGFSZSA-N 2 0 296.415 -0.488 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001496152261 920036623 /nfs/dbraw/zinc/03/66/23/920036623.db2.gz ZGAGUHVXROHKBX-LBPRGKRZSA-N 2 0 282.388 -0.876 20 30 CBEDRP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001498060060 920462277 /nfs/dbraw/zinc/46/22/77/920462277.db2.gz LYFRFRFIASJABN-STQMWFEESA-N 2 0 294.399 -0.686 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)NCC2([NH2+]CC(N)=O)CC2)CC1 ZINC001499458597 920753711 /nfs/dbraw/zinc/75/37/11/920753711.db2.gz IRDLCZMFHCPYRV-UHFFFAOYSA-N 2 0 292.383 -0.945 20 30 CBEDRP C#CC[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001500750482 920879013 /nfs/dbraw/zinc/87/90/13/920879013.db2.gz FJYGUKBJKXZNFJ-OAHLLOKOSA-N 2 0 277.368 -0.732 20 30 CBEDRP C#CCC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001507487173 921849020 /nfs/dbraw/zinc/84/90/20/921849020.db2.gz HMVTZUIJPDTDBM-UONOGXRCSA-N 2 0 281.400 -0.097 20 30 CBEDRP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001507598065 921880918 /nfs/dbraw/zinc/88/09/18/921880918.db2.gz DBQNQIPPAXINEZ-ZIAGYGMSSA-N 2 0 281.400 -0.145 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)CC1 ZINC001528681380 922844040 /nfs/dbraw/zinc/84/40/40/922844040.db2.gz XOAPXSLRSAHGSF-MRXNPFEDSA-N 2 0 293.411 -0.143 20 30 CBEDRP C[NH+]=C(NCCn1cccc1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000261677444 352392930 /nfs/dbraw/zinc/39/29/30/352392930.db2.gz CTMVEGGHGSKMRG-CQSZACIVSA-N 2 0 290.415 -0.347 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)CNC(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000351553791 353476016 /nfs/dbraw/zinc/47/60/16/353476016.db2.gz BORRKDJBJOVRAA-CYBMUJFWSA-N 2 0 294.399 -0.379 20 30 CBEDRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424160301 354211688 /nfs/dbraw/zinc/21/16/88/354211688.db2.gz UDSMIECFFNFUEN-LLVKDONJSA-N 2 0 256.350 -0.298 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000579834185 354979771 /nfs/dbraw/zinc/97/97/71/354979771.db2.gz PSAVDWGDPYZSBX-RYUDHWBXSA-N 2 0 296.415 -0.005 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000579834183 354980316 /nfs/dbraw/zinc/98/03/16/354980316.db2.gz PSAVDWGDPYZSBX-NEPJUHHUSA-N 2 0 296.415 -0.005 20 30 CBEDRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594444555 355248653 /nfs/dbraw/zinc/24/86/53/355248653.db2.gz SZDBTWXTAVGCCI-NEPJUHHUSA-N 2 0 296.371 -0.239 20 30 CBEDRP N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000595974922 355333262 /nfs/dbraw/zinc/33/32/62/355333262.db2.gz BTXGDTAZRBDLJU-KBPBESRZSA-N 2 0 293.415 -0.096 20 30 CBEDRP [NH2+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CCCCC1 ZINC000305224087 283261767 /nfs/dbraw/zinc/26/17/67/283261767.db2.gz VAWWBRZBOXWCCF-LBPRGKRZSA-N 2 0 251.378 -0.213 20 30 CBEDRP [NH2+]=C(NC[C@@H]1C[NH+]2CCN1CC2)Nc1ccccn1 ZINC000178991420 220222962 /nfs/dbraw/zinc/22/29/62/220222962.db2.gz XPEDVSKFYHPHKR-LLVKDONJSA-N 2 0 260.345 -0.192 20 30 CBEDRP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[C@@H](COC)C1 ZINC000261851337 220246114 /nfs/dbraw/zinc/24/61/14/220246114.db2.gz QFEXKTAUHPRVNX-ZIAGYGMSSA-N 2 0 295.431 -0.470 20 30 CBEDRP C[NH+]=C(NC[C@H](O)c1cnn(C)c1)NC[C@@H]1CCC[N@@H+]1C ZINC000262452013 220251417 /nfs/dbraw/zinc/25/14/17/220251417.db2.gz UUDACHLRDLCBPW-STQMWFEESA-N 2 0 294.403 -0.287 20 30 CBEDRP C=CCOCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644617863 374602996 /nfs/dbraw/zinc/60/29/96/374602996.db2.gz IKJXBEQMLFQZGG-CYBMUJFWSA-N 2 0 257.378 -0.613 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000263229878 220260707 /nfs/dbraw/zinc/26/07/07/220260707.db2.gz HTKKBYLSVHWGKY-AWEZNQCLSA-N 2 0 296.415 -0.148 20 30 CBEDRP C[NH+]=C(NCC(=O)NC(C)C)N[C@@H]1CCN(C2CC2)C1 ZINC000262786628 220257668 /nfs/dbraw/zinc/25/76/68/220257668.db2.gz MKWJUWUIVDXANT-LLVKDONJSA-N 2 0 281.404 -0.087 20 30 CBEDRP C[NH+]=C(NCc1ccco1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000269492421 220272285 /nfs/dbraw/zinc/27/22/85/220272285.db2.gz TXHGJGGADOEORJ-LBPRGKRZSA-N 2 0 277.372 -0.056 20 30 CBEDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303985266 220324927 /nfs/dbraw/zinc/32/49/27/220324927.db2.gz SUPXAANYJWBUDC-OLZOCXBDSA-N 2 0 283.420 -0.294 20 30 CBEDRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]2C1 ZINC000332659323 220383697 /nfs/dbraw/zinc/38/36/97/220383697.db2.gz AXNGAMURSGCMQU-AVGNSLFASA-N 2 0 280.372 -0.061 20 30 CBEDRP C=C[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000662163852 419554752 /nfs/dbraw/zinc/55/47/52/419554752.db2.gz OKYOXRXNLJILNX-LLVKDONJSA-N 2 0 255.362 -0.277 20 30 CBEDRP C=CC[C@]1(C(=O)NCCN2CC[NH2+]CC2)CCC[NH2+]1 ZINC000662400257 419595490 /nfs/dbraw/zinc/59/54/90/419595490.db2.gz OXHFIJFZLZAKRD-CQSZACIVSA-N 2 0 266.389 -0.294 20 30 CBEDRP CCNC(=O)CN(C)CC#CCN(C)CC(=O)NCC ZINC000671240188 544806541 /nfs/dbraw/zinc/80/65/41/544806541.db2.gz QIWOCKMEJUSHHC-UHFFFAOYSA-N 2 0 282.388 -0.874 20 30 CBEDRP C[C@@H](C(=O)NCC#CCNC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000681339863 545047227 /nfs/dbraw/zinc/04/72/27/545047227.db2.gz SQNOYHPKMVLCSN-RYUDHWBXSA-N 2 0 282.388 -0.878 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659704738 420453065 /nfs/dbraw/zinc/45/30/65/420453065.db2.gz SNWUYWIXRHCZAX-LLVKDONJSA-N 2 0 282.388 -0.523 20 30 CBEDRP C=C(C)C[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659706494 420454512 /nfs/dbraw/zinc/45/45/12/420454512.db2.gz LZXOUOACRLTSEH-GFCCVEGCSA-N 2 0 296.415 -0.133 20 30 CBEDRP C=CCNC(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519116 329693592 /nfs/dbraw/zinc/69/35/92/329693592.db2.gz CQUNIKKJFAZCGU-UHFFFAOYSA-N 2 0 296.415 -0.322 20 30 CBEDRP C#CCNC(=O)CC[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000491454328 332215003 /nfs/dbraw/zinc/21/50/03/332215003.db2.gz YACMRVZWCVDEGW-UHFFFAOYSA-N 2 0 267.373 -0.438 20 30 CBEDRP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCC1 ZINC000491546003 332235279 /nfs/dbraw/zinc/23/52/79/332235279.db2.gz TXGRJNSBLZUXIE-UHFFFAOYSA-N 2 0 252.362 -0.054 20 30 CBEDRP C#CCNC(=O)CC[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000491815277 332366387 /nfs/dbraw/zinc/36/63/87/332366387.db2.gz PDXPQUJBJDKJSL-AWEZNQCLSA-N 2 0 280.416 -0.401 20 30 CBEDRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])N2CCOCC2)CC1 ZINC000104174651 582113173 /nfs/dbraw/zinc/11/31/73/582113173.db2.gz XZMVHUOHMPJFHI-AWEZNQCLSA-N 2 0 297.447 -0.093 20 30 CBEDRP CC[NH+]1CCN(CCNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000104168512 582113180 /nfs/dbraw/zinc/11/31/80/582113180.db2.gz XXDDTBHHMAXGDN-GFCCVEGCSA-N 2 0 271.409 -0.437 20 30 CBEDRP CCCNC(=O)CCNC(=[NH2+])NCCCN1CCOCC1 ZINC000104177729 582113313 /nfs/dbraw/zinc/11/33/13/582113313.db2.gz FMDCSDPALLEVBP-UHFFFAOYSA-N 2 0 299.419 -0.471 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000763952132 582321743 /nfs/dbraw/zinc/32/17/43/582321743.db2.gz INQGYDJRMDDYLD-UHFFFAOYSA-N 2 0 268.405 -0.142 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000764510610 582323778 /nfs/dbraw/zinc/32/37/78/582323778.db2.gz WRGRRKVFKFDPFG-CYBMUJFWSA-N 2 0 268.405 -0.144 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000808223750 582442368 /nfs/dbraw/zinc/44/23/68/582442368.db2.gz OVPQYICIHWIRBT-HNNXBMFYSA-N 2 0 293.411 -0.096 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000822235323 582629213 /nfs/dbraw/zinc/62/92/13/582629213.db2.gz CNNMAXOLMGGTLJ-UHFFFAOYSA-N 2 0 268.405 -0.190 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)COC1CC[NH+](C)CC1 ZINC000827972324 582837841 /nfs/dbraw/zinc/83/78/41/582837841.db2.gz ZBCVKDMCWJWVIJ-UHFFFAOYSA-N 2 0 267.373 -0.222 20 30 CBEDRP C#CCNC(=O)CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830652659 582937330 /nfs/dbraw/zinc/93/73/30/582937330.db2.gz QSCYZJSVKQETMB-UHFFFAOYSA-N 2 0 279.384 -0.078 20 30 CBEDRP CC1CC[NH+](CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834479248 583124047 /nfs/dbraw/zinc/12/40/47/583124047.db2.gz BMDUNIOQKAJXHZ-VXGBXAGGSA-N 2 0 250.346 -0.054 20 30 CBEDRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1(C)C ZINC000834484982 583125142 /nfs/dbraw/zinc/12/51/42/583125142.db2.gz QMRBMFBRZOVRQQ-OXIWPEFWSA-N 2 0 280.372 -0.253 20 30 CBEDRP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000843458851 583221036 /nfs/dbraw/zinc/22/10/36/583221036.db2.gz AKEHLSFQFRZMAQ-CHWSQXEVSA-N 2 0 270.336 -0.290 20 30 CBEDRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000844195537 583260401 /nfs/dbraw/zinc/26/04/01/583260401.db2.gz WVIVHDCEEYBKCT-QWHCGFSZSA-N 2 0 279.388 -0.758 20 30 CBEDRP CNC(NCC(=O)NCC[NH+]1CCCCCC1)=[NH+]C ZINC000849030783 583469943 /nfs/dbraw/zinc/46/99/43/583469943.db2.gz OWGAXQKMEXMKMK-UHFFFAOYSA-N 2 0 269.393 -0.227 20 30 CBEDRP [NH3+]C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852876494 583566179 /nfs/dbraw/zinc/56/61/79/583566179.db2.gz JXDQEGGGOKHFMS-LBPRGKRZSA-N 2 0 251.330 -0.825 20 30 CBEDRP C=C[C@H](O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018611 584007309 /nfs/dbraw/zinc/00/73/09/584007309.db2.gz TZLSEBVQNSQWNT-UPJWGTAASA-N 2 0 269.389 -0.269 20 30 CBEDRP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCN1CC[NH2+]CC1 ZINC000876502871 584129763 /nfs/dbraw/zinc/12/97/63/584129763.db2.gz PZRSXSPGWLIXKY-NSHDSACASA-N 2 0 274.796 -0.132 20 30 CBEDRP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000876526131 584131279 /nfs/dbraw/zinc/13/12/79/584131279.db2.gz PRHUDMCISKZPTL-LLVKDONJSA-N 2 0 274.796 -0.180 20 30 CBEDRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC[N@@H+]1C ZINC000876802124 584146302 /nfs/dbraw/zinc/14/63/02/584146302.db2.gz LTVLUQKQPSGURS-NNYUYHANSA-N 2 0 250.346 -0.056 20 30 CBEDRP C#CCNC(=O)CC[N@H+]1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865670 584219242 /nfs/dbraw/zinc/21/92/42/584219242.db2.gz MOECTNAHOQQREM-AWEZNQCLSA-N 2 0 267.373 -0.486 20 30 CBEDRP C#CCNC(=O)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596262 584242239 /nfs/dbraw/zinc/24/22/39/584242239.db2.gz KSCNLUQXULNTAD-UHFFFAOYSA-N 2 0 292.427 -0.162 20 30 CBEDRP C[C@H]1C[NH2+]CCN1C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884019296 584355840 /nfs/dbraw/zinc/35/58/40/584355840.db2.gz PUAQRUVJGIZICW-ATWGWHJKSA-N 2 0 262.357 -0.054 20 30 CBEDRP COCC[N@H+](C)CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884208104 584367289 /nfs/dbraw/zinc/36/72/89/584367289.db2.gz QAVZRXVLMQUMHI-OWYJLGKBSA-N 2 0 294.399 -0.180 20 30 CBEDRP C[NH+]1CCC(C#N)(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900607540 584816184 /nfs/dbraw/zinc/81/61/84/584816184.db2.gz DNJCBKMUVZLTGM-OAHLLOKOSA-N 2 0 294.399 -0.063 20 30 CBEDRP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000900812331 584828861 /nfs/dbraw/zinc/82/88/61/584828861.db2.gz VDZWFWZQSHIHSP-OLZOCXBDSA-N 2 0 268.405 -0.145 20 30 CBEDRP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000958214404 613285686 /nfs/dbraw/zinc/28/56/86/613285686.db2.gz HDGYHOWCRNOKIJ-UONOGXRCSA-N 2 0 291.395 -0.343 20 30 CBEDRP CC#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC000958374930 613613032 /nfs/dbraw/zinc/61/30/32/613613032.db2.gz PRSXHFAYYOJTGF-LSDHHAIUSA-N 2 0 293.411 -0.240 20 30 CBEDRP CC#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC000958595456 613617948 /nfs/dbraw/zinc/61/79/48/613617948.db2.gz RTAHZMHSCZOCLF-KBPBESRZSA-N 2 0 291.395 -0.486 20 30 CBEDRP CCN1CC[NH+](CCCCNC(=[NH2+])NCCOC)CC1 ZINC000161499361 656078067 /nfs/dbraw/zinc/07/80/67/656078067.db2.gz BJPWIECAOHYDCC-UHFFFAOYSA-N 2 0 285.436 -0.045 20 30 CBEDRP C=CCNC(NC[C@@H]1C[NH+]2CCN1CC2)=[NH+]CC ZINC000262807123 656133424 /nfs/dbraw/zinc/13/34/24/656133424.db2.gz SYZSMAKMIYWYAQ-GFCCVEGCSA-N 2 0 251.378 -0.273 20 30 CBEDRP COCCNC(=[NH2+])NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000303366436 656138990 /nfs/dbraw/zinc/13/89/90/656138990.db2.gz HEBQUMDDSRRDNK-CYBMUJFWSA-N 2 0 285.436 -0.191 20 30 CBEDRP C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCCN2CCOCC2)C1 ZINC000303877537 656139658 /nfs/dbraw/zinc/13/96/58/656139658.db2.gz FLQZDHVSZLBCFL-CYBMUJFWSA-N 2 0 283.420 -0.435 20 30 CBEDRP CC[N@@H+]1CC[C@H](CNC(NCCN2CCOCC2)=[NH+]C)C1 ZINC000303906752 656140063 /nfs/dbraw/zinc/14/00/63/656140063.db2.gz WHCSMKBPKQCAOT-CQSZACIVSA-N 2 0 297.447 -0.175 20 30 CBEDRP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000911236274 656992799 /nfs/dbraw/zinc/99/27/99/656992799.db2.gz OPVJAKOMPBRBLH-DGCLKSJQSA-N 2 0 294.399 -0.523 20 30 CBEDRP CC[NH+]1CCN(CC(=O)NCC#CC[NH+](C)C)CC1 ZINC000913518946 657485310 /nfs/dbraw/zinc/48/53/10/657485310.db2.gz HRFLBIATGNIPKG-UHFFFAOYSA-N 2 0 266.389 -0.695 20 30 CBEDRP C[NH+](C)CC#CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000913522856 657490159 /nfs/dbraw/zinc/49/01/59/657490159.db2.gz BUXDQBWAXJJJHZ-UHFFFAOYSA-N 2 0 277.372 -0.261 20 30 CBEDRP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001019168725 657868399 /nfs/dbraw/zinc/86/83/99/657868399.db2.gz SLGOZLOFYSYMEN-WJEHIRDRSA-N 2 0 289.379 -0.327 20 30 CBEDRP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503976 658311160 /nfs/dbraw/zinc/31/11/60/658311160.db2.gz NDKQBWGWIFCEQD-QWRGUYRKSA-N 2 0 268.361 -0.085 20 30 CBEDRP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1C ZINC000924978113 658685493 /nfs/dbraw/zinc/68/54/93/658685493.db2.gz VEUOMONEQIPBMI-NWDGAFQWSA-N 2 0 255.362 -0.325 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000928647658 659057479 /nfs/dbraw/zinc/05/74/79/659057479.db2.gz IKEVLWYNMIQJSC-HIFRSBDPSA-N 2 0 279.384 -0.345 20 30 CBEDRP C#CC[NH+]1CCC(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000928648639 659058025 /nfs/dbraw/zinc/05/80/25/659058025.db2.gz OQMDYBGEJOBUSL-OAHLLOKOSA-N 2 0 291.395 -0.079 20 30 CBEDRP C#CC[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCO)C[C@@H]2C)CC1 ZINC000989829347 659617039 /nfs/dbraw/zinc/61/70/39/659617039.db2.gz RTSVPQJPOHDFIC-DZGCQCFKSA-N 2 0 293.411 -0.097 20 30 CBEDRP