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ZINC001042044049 673402372 /nfs/dbraw/zinc/40/23/72/673402372.db2.gz ZCKPDULYHMHMNC-AWEZNQCLSA-N 1 1 335.404 -1.024 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)COCC=C)C1 ZINC001042044049 673402371 /nfs/dbraw/zinc/40/23/71/673402371.db2.gz ZCKPDULYHMHMNC-AWEZNQCLSA-N 1 1 335.404 -1.024 20 30 EAEDMO C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001042052594 673403089 /nfs/dbraw/zinc/40/30/89/673403089.db2.gz NMVIIKAGBFYJCM-CYBMUJFWSA-N 1 1 341.408 -1.401 20 30 EAEDMO C=CCOCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001042052594 673403087 /nfs/dbraw/zinc/40/30/87/673403087.db2.gz NMVIIKAGBFYJCM-CYBMUJFWSA-N 1 1 341.408 -1.401 20 30 EAEDMO C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001042052595 673403156 /nfs/dbraw/zinc/40/31/56/673403156.db2.gz NMVIIKAGBFYJCM-ZDUSSCGKSA-N 1 1 341.408 -1.401 20 30 EAEDMO C=CCOCC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001042052595 673403154 /nfs/dbraw/zinc/40/31/54/673403154.db2.gz NMVIIKAGBFYJCM-ZDUSSCGKSA-N 1 1 341.408 -1.401 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042074196 673406481 /nfs/dbraw/zinc/40/64/81/673406481.db2.gz KGCSEAUMQHIHKZ-OLZOCXBDSA-N 1 1 348.403 -1.948 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC(=O)N2)C1 ZINC001042074196 673406478 /nfs/dbraw/zinc/40/64/78/673406478.db2.gz KGCSEAUMQHIHKZ-OLZOCXBDSA-N 1 1 348.403 -1.948 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042099029 673409671 /nfs/dbraw/zinc/40/96/71/673409671.db2.gz YYWJKYXPEHSSTE-GFCCVEGCSA-N 1 1 336.392 -2.090 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042099030 673409930 /nfs/dbraw/zinc/40/99/30/673409930.db2.gz YYWJKYXPEHSSTE-LBPRGKRZSA-N 1 1 336.392 -2.090 20 30 EAEDMO C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001042104706 673410222 /nfs/dbraw/zinc/41/02/22/673410222.db2.gz RPPOKCKTLQZNHT-CYBMUJFWSA-N 1 1 348.407 -1.139 20 30 EAEDMO C=CCn1cc(C(=O)N2CC(O)(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001042104707 673410496 /nfs/dbraw/zinc/41/04/96/673410496.db2.gz RPPOKCKTLQZNHT-ZDUSSCGKSA-N 1 1 348.407 -1.139 20 30 EAEDMO C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042105325 673410681 /nfs/dbraw/zinc/41/06/81/673410681.db2.gz ZILDYHMPROTRDU-CABCVRRESA-N 1 1 348.447 -1.132 20 30 EAEDMO C#CCN1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042105326 673410938 /nfs/dbraw/zinc/41/09/38/673410938.db2.gz ZILDYHMPROTRDU-GJZGRUSLSA-N 1 1 348.447 -1.132 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C[C@@H]21 ZINC001042254489 673427297 /nfs/dbraw/zinc/42/72/97/673427297.db2.gz LLMHFMLAIVDXSG-NEPJUHHUSA-N 1 1 332.360 -1.037 20 30 EAEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C[C@H]21 ZINC001042254490 673427375 /nfs/dbraw/zinc/42/73/75/673427375.db2.gz LLMHFMLAIVDXSG-NWDGAFQWSA-N 1 1 332.360 -1.037 20 30 EAEDMO C#CC[N@@H+]1CC[C@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C[C@@H]21 ZINC001042254491 673427402 /nfs/dbraw/zinc/42/74/02/673427402.db2.gz LLMHFMLAIVDXSG-RYUDHWBXSA-N 1 1 332.360 -1.037 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H]2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)C[C@H]21 ZINC001042254492 673427482 /nfs/dbraw/zinc/42/74/82/673427482.db2.gz LLMHFMLAIVDXSG-VXGBXAGGSA-N 1 1 332.360 -1.037 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042273774 673429667 /nfs/dbraw/zinc/42/96/67/673429667.db2.gz WCRWRBAYPJWXSP-AWEZNQCLSA-N 1 1 345.403 -1.261 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)Cc2cc[nH]n2)C1 ZINC001042273774 673429664 /nfs/dbraw/zinc/42/96/64/673429664.db2.gz WCRWRBAYPJWXSP-AWEZNQCLSA-N 1 1 345.403 -1.261 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295839 673433156 /nfs/dbraw/zinc/43/31/56/673433156.db2.gz TXJPWDGABKZLGZ-DOMZBBRYSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295839 673433155 /nfs/dbraw/zinc/43/31/55/673433155.db2.gz TXJPWDGABKZLGZ-DOMZBBRYSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042295840 673432778 /nfs/dbraw/zinc/43/27/78/673432778.db2.gz TXJPWDGABKZLGZ-IUODEOHRSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042295840 673432775 /nfs/dbraw/zinc/43/27/75/673432775.db2.gz TXJPWDGABKZLGZ-IUODEOHRSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295841 673432853 /nfs/dbraw/zinc/43/28/53/673432853.db2.gz TXJPWDGABKZLGZ-SWLSCSKDSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295841 673432851 /nfs/dbraw/zinc/43/28/51/673432851.db2.gz TXJPWDGABKZLGZ-SWLSCSKDSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042295843 673432792 /nfs/dbraw/zinc/43/27/92/673432792.db2.gz TXJPWDGABKZLGZ-WFASDCNBSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042295843 673432790 /nfs/dbraw/zinc/43/27/90/673432790.db2.gz TXJPWDGABKZLGZ-WFASDCNBSA-N 1 1 341.408 -1.666 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)C1 ZINC001042295937 673433372 /nfs/dbraw/zinc/43/33/72/673433372.db2.gz URDNYHBCMQIRAF-LLVKDONJSA-N 1 1 342.421 -1.737 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)C1 ZINC001042295937 673433371 /nfs/dbraw/zinc/43/33/71/673433371.db2.gz URDNYHBCMQIRAF-LLVKDONJSA-N 1 1 342.421 -1.737 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)C1 ZINC001042295938 673433544 /nfs/dbraw/zinc/43/35/44/673433544.db2.gz URDNYHBCMQIRAF-NSHDSACASA-N 1 1 342.421 -1.737 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)CSCC#N)C2)C1 ZINC001042295938 673433541 /nfs/dbraw/zinc/43/35/41/673433541.db2.gz URDNYHBCMQIRAF-NSHDSACASA-N 1 1 342.421 -1.737 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042299355 673433618 /nfs/dbraw/zinc/43/36/18/673433618.db2.gz BCLGGGGFWSQKGN-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042299355 673433615 /nfs/dbraw/zinc/43/36/15/673433615.db2.gz BCLGGGGFWSQKGN-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042299356 673433705 /nfs/dbraw/zinc/43/37/05/673433705.db2.gz BCLGGGGFWSQKGN-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042299356 673433704 /nfs/dbraw/zinc/43/37/04/673433704.db2.gz BCLGGGGFWSQKGN-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042299380 673434132 /nfs/dbraw/zinc/43/41/32/673434132.db2.gz BPQNZFDQSHLMEQ-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042299380 673434131 /nfs/dbraw/zinc/43/41/31/673434131.db2.gz BPQNZFDQSHLMEQ-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042299381 673433921 /nfs/dbraw/zinc/43/39/21/673433921.db2.gz BPQNZFDQSHLMEQ-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042299381 673433919 /nfs/dbraw/zinc/43/39/19/673433919.db2.gz BPQNZFDQSHLMEQ-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299392 673434095 /nfs/dbraw/zinc/43/40/95/673434095.db2.gz BUOYBSAVUCDMHR-CHWSQXEVSA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299392 673434094 /nfs/dbraw/zinc/43/40/94/673434094.db2.gz BUOYBSAVUCDMHR-CHWSQXEVSA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299393 673434082 /nfs/dbraw/zinc/43/40/82/673434082.db2.gz BUOYBSAVUCDMHR-OLZOCXBDSA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299393 673434081 /nfs/dbraw/zinc/43/40/81/673434081.db2.gz BUOYBSAVUCDMHR-OLZOCXBDSA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299394 673434120 /nfs/dbraw/zinc/43/41/20/673434120.db2.gz BUOYBSAVUCDMHR-QWHCGFSZSA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299394 673434118 /nfs/dbraw/zinc/43/41/18/673434118.db2.gz BUOYBSAVUCDMHR-QWHCGFSZSA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299395 673434311 /nfs/dbraw/zinc/43/43/11/673434311.db2.gz BUOYBSAVUCDMHR-STQMWFEESA-N 1 1 341.408 -1.402 20 30 EAEDMO C=CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299395 673434309 /nfs/dbraw/zinc/43/43/09/673434309.db2.gz BUOYBSAVUCDMHR-STQMWFEESA-N 1 1 341.408 -1.402 20 30 EAEDMO C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299535 673434198 /nfs/dbraw/zinc/43/41/98/673434198.db2.gz DEZDLLIOAOSRKZ-CHWSQXEVSA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299535 673434196 /nfs/dbraw/zinc/43/41/96/673434196.db2.gz DEZDLLIOAOSRKZ-CHWSQXEVSA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299536 673433957 /nfs/dbraw/zinc/43/39/57/673433957.db2.gz DEZDLLIOAOSRKZ-OLZOCXBDSA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299536 673433955 /nfs/dbraw/zinc/43/39/55/673433955.db2.gz DEZDLLIOAOSRKZ-OLZOCXBDSA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042299537 673434278 /nfs/dbraw/zinc/43/42/78/673434278.db2.gz DEZDLLIOAOSRKZ-QWHCGFSZSA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042299537 673434275 /nfs/dbraw/zinc/43/42/75/673434275.db2.gz DEZDLLIOAOSRKZ-QWHCGFSZSA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042299538 673434088 /nfs/dbraw/zinc/43/40/88/673434088.db2.gz DEZDLLIOAOSRKZ-STQMWFEESA-N 1 1 339.392 -1.955 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042299538 673434087 /nfs/dbraw/zinc/43/40/87/673434087.db2.gz DEZDLLIOAOSRKZ-STQMWFEESA-N 1 1 339.392 -1.955 20 30 EAEDMO C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042300018 673434518 /nfs/dbraw/zinc/43/45/18/673434518.db2.gz MWECXRLEGUHWDG-GFCCVEGCSA-N 1 1 327.381 -1.791 20 30 EAEDMO C=CCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042300018 673434516 /nfs/dbraw/zinc/43/45/16/673434516.db2.gz MWECXRLEGUHWDG-GFCCVEGCSA-N 1 1 327.381 -1.791 20 30 EAEDMO C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042300019 673434781 /nfs/dbraw/zinc/43/47/81/673434781.db2.gz MWECXRLEGUHWDG-LBPRGKRZSA-N 1 1 327.381 -1.791 20 30 EAEDMO C=CCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042300019 673434780 /nfs/dbraw/zinc/43/47/80/673434780.db2.gz MWECXRLEGUHWDG-LBPRGKRZSA-N 1 1 327.381 -1.791 20 30 EAEDMO C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042300233 673434678 /nfs/dbraw/zinc/43/46/78/673434678.db2.gz QELPHSMKGNKDMX-CYBMUJFWSA-N 1 1 339.392 -1.954 20 30 EAEDMO C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042300233 673434677 /nfs/dbraw/zinc/43/46/77/673434677.db2.gz QELPHSMKGNKDMX-CYBMUJFWSA-N 1 1 339.392 -1.954 20 30 EAEDMO C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042300234 673434806 /nfs/dbraw/zinc/43/48/06/673434806.db2.gz QELPHSMKGNKDMX-ZDUSSCGKSA-N 1 1 339.392 -1.954 20 30 EAEDMO C#CCOCCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042300234 673434803 /nfs/dbraw/zinc/43/48/03/673434803.db2.gz QELPHSMKGNKDMX-ZDUSSCGKSA-N 1 1 339.392 -1.954 20 30 EAEDMO C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042300639 673435311 /nfs/dbraw/zinc/43/53/11/673435311.db2.gz XWFNVSUSCKJWBV-CYBMUJFWSA-N 1 1 341.408 -1.401 20 30 EAEDMO C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042300639 673435309 /nfs/dbraw/zinc/43/53/09/673435309.db2.gz XWFNVSUSCKJWBV-CYBMUJFWSA-N 1 1 341.408 -1.401 20 30 EAEDMO C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042300640 673435270 /nfs/dbraw/zinc/43/52/70/673435270.db2.gz XWFNVSUSCKJWBV-ZDUSSCGKSA-N 1 1 341.408 -1.401 20 30 EAEDMO C=CCCOCC(=O)N1CC(O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042300640 673435268 /nfs/dbraw/zinc/43/52/68/673435268.db2.gz XWFNVSUSCKJWBV-ZDUSSCGKSA-N 1 1 341.408 -1.401 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042300649 673435289 /nfs/dbraw/zinc/43/52/89/673435289.db2.gz YBRJAOGARWOWOO-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)NCC2(O)CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042300649 673435288 /nfs/dbraw/zinc/43/52/88/673435288.db2.gz YBRJAOGARWOWOO-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042300650 673434997 /nfs/dbraw/zinc/43/49/97/673434997.db2.gz YBRJAOGARWOWOO-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)NCC2(O)CN(C(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042300650 673434993 /nfs/dbraw/zinc/43/49/93/673434993.db2.gz YBRJAOGARWOWOO-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042391288 673438892 /nfs/dbraw/zinc/43/88/92/673438892.db2.gz DRKXMXZBGPWEAF-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042391288 673438889 /nfs/dbraw/zinc/43/88/89/673438889.db2.gz DRKXMXZBGPWEAF-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042391290 673438839 /nfs/dbraw/zinc/43/88/39/673438839.db2.gz DRKXMXZBGPWEAF-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3cc(C#N)c[nH]3)C2)C1 ZINC001042391290 673438835 /nfs/dbraw/zinc/43/88/35/673438835.db2.gz DRKXMXZBGPWEAF-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 ZINC001042555070 673451014 /nfs/dbraw/zinc/45/10/14/673451014.db2.gz RTPLJPRVLVMSBM-AWEZNQCLSA-N 1 1 345.403 -1.179 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)cn2)C1 ZINC001042555070 673451012 /nfs/dbraw/zinc/45/10/12/673451012.db2.gz RTPLJPRVLVMSBM-AWEZNQCLSA-N 1 1 345.403 -1.179 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042609495 673455700 /nfs/dbraw/zinc/45/57/00/673455700.db2.gz XKZGUXPMEOASBI-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042609495 673455698 /nfs/dbraw/zinc/45/56/98/673455698.db2.gz XKZGUXPMEOASBI-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042609497 673455801 /nfs/dbraw/zinc/45/58/01/673455801.db2.gz XKZGUXPMEOASBI-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3ccc(C#N)[nH]3)C2)C1 ZINC001042609497 673455800 /nfs/dbraw/zinc/45/58/00/673455800.db2.gz XKZGUXPMEOASBI-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042669104 673464804 /nfs/dbraw/zinc/46/48/04/673464804.db2.gz FWIBADPSBHICBU-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042669104 673464802 /nfs/dbraw/zinc/46/48/02/673464802.db2.gz FWIBADPSBHICBU-CYBMUJFWSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042669105 673464916 /nfs/dbraw/zinc/46/49/16/673464916.db2.gz FWIBADPSBHICBU-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)c3c[nH]c(C#N)c3)C2)C1 ZINC001042669105 673464913 /nfs/dbraw/zinc/46/49/13/673464913.db2.gz FWIBADPSBHICBU-ZDUSSCGKSA-N 1 1 347.375 -1.480 20 30 EAEDMO C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042672741 673466442 /nfs/dbraw/zinc/46/64/42/673466442.db2.gz YNNQSEGBZDIENC-GFCCVEGCSA-N 1 1 336.392 -2.090 20 30 EAEDMO C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042672742 673466449 /nfs/dbraw/zinc/46/64/49/673466449.db2.gz YNNQSEGBZDIENC-LBPRGKRZSA-N 1 1 336.392 -2.090 20 30 EAEDMO C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)CC[N@H+](C)CC)C1 ZINC001042674734 669126973 /nfs/dbraw/zinc/12/69/73/669126973.db2.gz QLQNVCGCMSXYNA-UHFFFAOYSA-N 1 1 338.408 -1.843 20 30 EAEDMO C#CCNC(=O)CC(=O)NCC1(O)CN(C(=O)C[N@H+](C)CCC)C1 ZINC001042675254 673467739 /nfs/dbraw/zinc/46/77/39/673467739.db2.gz YQPZFEGRPVFIRX-UHFFFAOYSA-N 1 1 338.408 -1.843 20 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/nfs/dbraw/zinc/47/57/82/673475782.db2.gz XUZCJKAUQZLIKT-AWEZNQCLSA-N 1 1 343.387 -1.123 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cncnc2)C1 ZINC001042713430 673475779 /nfs/dbraw/zinc/47/57/79/673475779.db2.gz XUZCJKAUQZLIKT-AWEZNQCLSA-N 1 1 343.387 -1.123 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 ZINC001042741120 673479971 /nfs/dbraw/zinc/47/99/71/673479971.db2.gz FYLRCWROLKBPOD-LBPRGKRZSA-N 1 1 336.392 -2.090 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(=O)NC)C1 ZINC001042741120 673479970 /nfs/dbraw/zinc/47/99/70/673479970.db2.gz FYLRCWROLKBPOD-LBPRGKRZSA-N 1 1 336.392 -2.090 20 30 EAEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001042780392 673486392 /nfs/dbraw/zinc/48/63/92/673486392.db2.gz DQAQEAJDJSIISM-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001042780392 673486390 /nfs/dbraw/zinc/48/63/90/673486390.db2.gz DQAQEAJDJSIISM-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001042780393 673486517 /nfs/dbraw/zinc/48/65/17/673486517.db2.gz DQAQEAJDJSIISM-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccc(C#N)nn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001042780393 673486516 /nfs/dbraw/zinc/48/65/16/673486516.db2.gz DQAQEAJDJSIISM-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001042780762 673486410 /nfs/dbraw/zinc/48/64/10/673486410.db2.gz KGAKIUNJGNNOIH-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001042780762 673486406 /nfs/dbraw/zinc/48/64/06/673486406.db2.gz KGAKIUNJGNNOIH-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001042780763 673486326 /nfs/dbraw/zinc/48/63/26/673486326.db2.gz KGAKIUNJGNNOIH-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001042780763 673486323 /nfs/dbraw/zinc/48/63/23/673486323.db2.gz KGAKIUNJGNNOIH-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001042780846 673486502 /nfs/dbraw/zinc/48/65/02/673486502.db2.gz MPVQMYJBVFKTAP-JHJVBQTASA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001042780846 673486501 /nfs/dbraw/zinc/48/65/01/673486501.db2.gz MPVQMYJBVFKTAP-JHJVBQTASA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001042780848 673486423 /nfs/dbraw/zinc/48/64/23/673486423.db2.gz MPVQMYJBVFKTAP-UPJWGTAASA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2ccnc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001042780848 673486421 /nfs/dbraw/zinc/48/64/21/673486421.db2.gz MPVQMYJBVFKTAP-UPJWGTAASA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001042781826 673486840 /nfs/dbraw/zinc/48/68/40/673486840.db2.gz YDTHRHQSILTXGH-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001042781826 673486839 /nfs/dbraw/zinc/48/68/39/673486839.db2.gz YDTHRHQSILTXGH-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001042781827 673486808 /nfs/dbraw/zinc/48/68/08/673486808.db2.gz YDTHRHQSILTXGH-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001042781827 673486806 /nfs/dbraw/zinc/48/68/06/673486806.db2.gz YDTHRHQSILTXGH-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001042781886 673486759 /nfs/dbraw/zinc/48/67/59/673486759.db2.gz ZYXAFZHIEZEHCL-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001042781886 673486758 /nfs/dbraw/zinc/48/67/58/673486758.db2.gz ZYXAFZHIEZEHCL-MCIONIFRSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001042781887 673486821 /nfs/dbraw/zinc/48/68/21/673486821.db2.gz ZYXAFZHIEZEHCL-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO CO[C@@H]1CN(c2nccnc2C#N)C[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001042781887 673486820 /nfs/dbraw/zinc/48/68/20/673486820.db2.gz ZYXAFZHIEZEHCL-MGPQQGTHSA-N 1 1 346.391 -1.001 20 30 EAEDMO C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042806892 673491177 /nfs/dbraw/zinc/49/11/77/673491177.db2.gz MHRYNYDHZBHLTO-DOMZBBRYSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042806892 673491174 /nfs/dbraw/zinc/49/11/74/673491174.db2.gz MHRYNYDHZBHLTO-DOMZBBRYSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001042806893 673491276 /nfs/dbraw/zinc/49/12/76/673491276.db2.gz MHRYNYDHZBHLTO-IUODEOHRSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001042806893 673491273 /nfs/dbraw/zinc/49/12/73/673491273.db2.gz MHRYNYDHZBHLTO-IUODEOHRSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042806894 673491252 /nfs/dbraw/zinc/49/12/52/673491252.db2.gz MHRYNYDHZBHLTO-SWLSCSKDSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042806894 673491247 /nfs/dbraw/zinc/49/12/47/673491247.db2.gz MHRYNYDHZBHLTO-SWLSCSKDSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001042806895 673491138 /nfs/dbraw/zinc/49/11/38/673491138.db2.gz MHRYNYDHZBHLTO-WFASDCNBSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001042806895 673491137 /nfs/dbraw/zinc/49/11/37/673491137.db2.gz MHRYNYDHZBHLTO-WFASDCNBSA-N 1 1 341.408 -1.666 20 30 EAEDMO C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042810908 673492006 /nfs/dbraw/zinc/49/20/06/673492006.db2.gz DUXIRYOMNNCTCR-DOMZBBRYSA-N 1 1 325.409 -1.045 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001042810910 673491931 /nfs/dbraw/zinc/49/19/31/673491931.db2.gz DUXIRYOMNNCTCR-IUODEOHRSA-N 1 1 325.409 -1.045 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042810912 673492027 /nfs/dbraw/zinc/49/20/27/673492027.db2.gz DUXIRYOMNNCTCR-SWLSCSKDSA-N 1 1 325.409 -1.045 20 30 EAEDMO C=C[C@](C)(O)CC(=O)NCC1(O)CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001042810913 673491936 /nfs/dbraw/zinc/49/19/36/673491936.db2.gz DUXIRYOMNNCTCR-WFASDCNBSA-N 1 1 325.409 -1.045 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001042834258 673497391 /nfs/dbraw/zinc/49/73/91/673497391.db2.gz RCUINDGFRIDDBJ-ZDUSSCGKSA-N 1 1 337.420 -1.066 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC(C)(C)O)C1 ZINC001042834258 673497388 /nfs/dbraw/zinc/49/73/88/673497388.db2.gz RCUINDGFRIDDBJ-ZDUSSCGKSA-N 1 1 337.420 -1.066 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042856399 673502493 /nfs/dbraw/zinc/50/24/93/673502493.db2.gz LWRMAPSRDMSFMH-LBPRGKRZSA-N 1 1 346.391 -1.784 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cnnn2C)C1 ZINC001042856399 673502491 /nfs/dbraw/zinc/50/24/91/673502491.db2.gz LWRMAPSRDMSFMH-LBPRGKRZSA-N 1 1 346.391 -1.784 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001042880670 673507104 /nfs/dbraw/zinc/50/71/04/673507104.db2.gz LSLNNMLSEUWXJE-UONOGXRCSA-N 1 1 337.420 -1.210 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H](O)C(C)C)C1 ZINC001042880670 673507102 /nfs/dbraw/zinc/50/71/02/673507102.db2.gz LSLNNMLSEUWXJE-UONOGXRCSA-N 1 1 337.420 -1.210 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042885370 673507708 /nfs/dbraw/zinc/50/77/08/673507708.db2.gz JYNLZRMMMJPDSI-ZDUSSCGKSA-N 1 1 346.391 -1.784 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2cn(C)nn2)C1 ZINC001042885370 673507704 /nfs/dbraw/zinc/50/77/04/673507704.db2.gz JYNLZRMMMJPDSI-ZDUSSCGKSA-N 1 1 346.391 -1.784 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042898610 673513376 /nfs/dbraw/zinc/51/33/76/673513376.db2.gz VPNHXJSDFMJJAS-LBPRGKRZSA-N 1 1 346.391 -1.784 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncn(C)n2)C1 ZINC001042898610 673513373 /nfs/dbraw/zinc/51/33/73/673513373.db2.gz VPNHXJSDFMJJAS-LBPRGKRZSA-N 1 1 346.391 -1.784 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042940555 673518460 /nfs/dbraw/zinc/51/84/60/673518460.db2.gz BUBHMIXNJDRUCG-LBPRGKRZSA-N 1 1 331.376 -1.190 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)c2ncc[nH]2)C1 ZINC001042940555 673518458 /nfs/dbraw/zinc/51/84/58/673518458.db2.gz BUBHMIXNJDRUCG-LBPRGKRZSA-N 1 1 331.376 -1.190 20 30 EAEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001042958365 673521031 /nfs/dbraw/zinc/52/10/31/673521031.db2.gz LQCCZGKYWISLPR-UHFFFAOYSA-N 1 1 335.404 -1.188 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001042961027 673521482 /nfs/dbraw/zinc/52/14/82/673521482.db2.gz WNCBLUGVOSBDOU-ZDUSSCGKSA-N 1 1 332.408 -1.151 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(Cc2nc(=O)n(C)[nH]2)C1 ZINC001042961027 673521480 /nfs/dbraw/zinc/52/14/80/673521480.db2.gz WNCBLUGVOSBDOU-ZDUSSCGKSA-N 1 1 332.408 -1.151 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001042963287 673521777 /nfs/dbraw/zinc/52/17/77/673521777.db2.gz OEJYJCXVDSQDLP-AWEZNQCLSA-N 1 1 347.419 -1.222 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(CCN2C(=O)CNC2=O)C1 ZINC001042963287 673521775 /nfs/dbraw/zinc/52/17/75/673521775.db2.gz OEJYJCXVDSQDLP-AWEZNQCLSA-N 1 1 347.419 -1.222 20 30 EAEDMO CC[N@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042963599 673521843 /nfs/dbraw/zinc/52/18/43/673521843.db2.gz PJKUMNRYJJOHSV-AWEZNQCLSA-N 1 1 335.404 -1.190 20 30 EAEDMO CC[N@@H+]1CCO[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042963599 673521841 /nfs/dbraw/zinc/52/18/41/673521841.db2.gz PJKUMNRYJJOHSV-AWEZNQCLSA-N 1 1 335.404 -1.190 20 30 EAEDMO CC[N@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042963600 673521766 /nfs/dbraw/zinc/52/17/66/673521766.db2.gz PJKUMNRYJJOHSV-CQSZACIVSA-N 1 1 335.404 -1.190 20 30 EAEDMO CC[N@@H+]1CCO[C@@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)C1 ZINC001042963600 673521763 /nfs/dbraw/zinc/52/17/63/673521763.db2.gz PJKUMNRYJJOHSV-CQSZACIVSA-N 1 1 335.404 -1.190 20 30 EAEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)O1 ZINC001042964892 673521993 /nfs/dbraw/zinc/52/19/93/673521993.db2.gz PMOZFQHEKRIUNR-TZMCWYRMSA-N 1 1 335.404 -1.192 20 30 EAEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC(O)(CNC(=O)C#CC3CC3)C2)O1 ZINC001042964892 673521990 /nfs/dbraw/zinc/52/19/90/673521990.db2.gz PMOZFQHEKRIUNR-TZMCWYRMSA-N 1 1 335.404 -1.192 20 30 EAEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042965199 673522168 /nfs/dbraw/zinc/52/21/68/673522168.db2.gz XFEJXYDENICAEH-CABCVRRESA-N 1 1 347.415 -1.048 20 30 EAEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042965200 673522240 /nfs/dbraw/zinc/52/22/40/673522240.db2.gz XFEJXYDENICAEH-GJZGRUSLSA-N 1 1 347.415 -1.048 20 30 EAEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC001042965201 673522207 /nfs/dbraw/zinc/52/22/07/673522207.db2.gz XFEJXYDENICAEH-HUUCEWRRSA-N 1 1 347.415 -1.048 20 30 EAEDMO O=C(C#CC1CC1)NCC1(O)CN(C(=O)[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC001042965203 673522274 /nfs/dbraw/zinc/52/22/74/673522274.db2.gz XFEJXYDENICAEH-LSDHHAIUSA-N 1 1 347.415 -1.048 20 30 EAEDMO C#CCOCCC(=O)NCC1(O)CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001043032977 673535575 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EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](O)C1 ZINC001090368968 786311795 /nfs/dbraw/zinc/31/17/95/786311795.db2.gz UVTONIKRCALFQE-GHMZBOCLSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](O)C1 ZINC001090368968 786311791 /nfs/dbraw/zinc/31/17/91/786311791.db2.gz UVTONIKRCALFQE-GHMZBOCLSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001090368969 786312166 /nfs/dbraw/zinc/31/21/66/786312166.db2.gz UVTONIKRCALFQE-MNOVXSKESA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001090368969 786312160 /nfs/dbraw/zinc/31/21/60/786312160.db2.gz UVTONIKRCALFQE-MNOVXSKESA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001090368970 786311424 /nfs/dbraw/zinc/31/14/24/786311424.db2.gz UVTONIKRCALFQE-QWRGUYRKSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@@H](O)C1 ZINC001090368970 786311419 /nfs/dbraw/zinc/31/14/19/786311419.db2.gz UVTONIKRCALFQE-QWRGUYRKSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](O)C1 ZINC001090368971 786312097 /nfs/dbraw/zinc/31/20/97/786312097.db2.gz UVTONIKRCALFQE-WDEREUQCSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2coc(S(N)(=O)=O)c2)[C@H](O)C1 ZINC001090368971 786312093 /nfs/dbraw/zinc/31/20/93/786312093.db2.gz UVTONIKRCALFQE-WDEREUQCSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](O)C1 ZINC001090394453 786329385 /nfs/dbraw/zinc/32/93/85/786329385.db2.gz VNVBYMVHRGIYPX-NXEZZACHSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@H](O)C1 ZINC001090394453 786329379 /nfs/dbraw/zinc/32/93/79/786329379.db2.gz VNVBYMVHRGIYPX-NXEZZACHSA-N 1 1 327.362 -1.275 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(S(N)(=O)=O)o2)[C@@H](O)C1 ZINC001090394455 786329478 /nfs/dbraw/zinc/32/94/78/786329478.db2.gz 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C#CCNC(=O)CC(=O)N[C@@H]1CN(c2cc(C)[nH+]c(C)n2)C[C@H]1O ZINC001090406594 786453443 /nfs/dbraw/zinc/45/34/43/786453443.db2.gz FKOAAJILLIFQDW-CHWSQXEVSA-N 1 1 331.376 -1.101 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](O)C1 ZINC001090416561 786475019 /nfs/dbraw/zinc/47/50/19/786475019.db2.gz JFRXSEMYBHNIEL-GXTWGEPZSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](O)C1 ZINC001090416561 786475012 /nfs/dbraw/zinc/47/50/12/786475012.db2.gz JFRXSEMYBHNIEL-GXTWGEPZSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001090416562 786475669 /nfs/dbraw/zinc/47/56/69/786475669.db2.gz JFRXSEMYBHNIEL-JSGCOSHPSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001090416562 786475665 /nfs/dbraw/zinc/47/56/65/786475665.db2.gz JFRXSEMYBHNIEL-JSGCOSHPSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001090416563 786474916 /nfs/dbraw/zinc/47/49/16/786474916.db2.gz JFRXSEMYBHNIEL-OCCSQVGLSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@@H](O)C1 ZINC001090416563 786474914 /nfs/dbraw/zinc/47/49/14/786474914.db2.gz JFRXSEMYBHNIEL-OCCSQVGLSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](O)C1 ZINC001090416564 786476618 /nfs/dbraw/zinc/47/66/18/786476618.db2.gz JFRXSEMYBHNIEL-TZMCWYRMSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(=O)n(CCOC)n2)[C@H](O)C1 ZINC001090416564 786476615 /nfs/dbraw/zinc/47/66/15/786476615.db2.gz JFRXSEMYBHNIEL-TZMCWYRMSA-N 1 1 334.376 -1.312 20 30 EAEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090431779 786625328 /nfs/dbraw/zinc/62/53/28/786625328.db2.gz CSDJFGCRPGIOAS-KBPBESRZSA-N 1 1 343.449 -1.013 20 30 EAEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090431780 786624771 /nfs/dbraw/zinc/62/47/71/786624771.db2.gz CSDJFGCRPGIOAS-KGLIPLIRSA-N 1 1 343.449 -1.013 20 30 EAEDMO C#CCC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090431781 786624867 /nfs/dbraw/zinc/62/48/67/786624867.db2.gz CSDJFGCRPGIOAS-UONOGXRCSA-N 1 1 343.449 -1.013 20 30 EAEDMO C#CCC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090431782 786625593 /nfs/dbraw/zinc/62/55/93/786625593.db2.gz CSDJFGCRPGIOAS-ZIAGYGMSSA-N 1 1 343.449 -1.013 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090432888 786625733 /nfs/dbraw/zinc/62/57/33/786625733.db2.gz NDGAJMFMWWEIKM-CHWSQXEVSA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090432888 786625725 /nfs/dbraw/zinc/62/57/25/786625725.db2.gz NDGAJMFMWWEIKM-CHWSQXEVSA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090432889 786625469 /nfs/dbraw/zinc/62/54/69/786625469.db2.gz NDGAJMFMWWEIKM-OLZOCXBDSA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090432889 786625461 /nfs/dbraw/zinc/62/54/61/786625461.db2.gz NDGAJMFMWWEIKM-OLZOCXBDSA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090432890 786624942 /nfs/dbraw/zinc/62/49/42/786624942.db2.gz NDGAJMFMWWEIKM-QWHCGFSZSA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090432890 786624938 /nfs/dbraw/zinc/62/49/38/786624938.db2.gz NDGAJMFMWWEIKM-QWHCGFSZSA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090432891 786626101 /nfs/dbraw/zinc/62/61/01/786626101.db2.gz NDGAJMFMWWEIKM-STQMWFEESA-N 1 1 329.422 -1.403 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090432891 786626094 /nfs/dbraw/zinc/62/60/94/786626094.db2.gz NDGAJMFMWWEIKM-STQMWFEESA-N 1 1 329.422 -1.403 20 30 EAEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090433324 786626314 /nfs/dbraw/zinc/62/63/14/786626314.db2.gz PXYRMDDSUHTRMD-KBPBESRZSA-N 1 1 343.449 -1.013 20 30 EAEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@@H](O)C1 ZINC001090433325 786625022 /nfs/dbraw/zinc/62/50/22/786625022.db2.gz PXYRMDDSUHTRMD-KGLIPLIRSA-N 1 1 343.449 -1.013 20 30 EAEDMO CC#CC[N@H+]1CC[C@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090433326 786624970 /nfs/dbraw/zinc/62/49/70/786624970.db2.gz PXYRMDDSUHTRMD-UONOGXRCSA-N 1 1 343.449 -1.013 20 30 EAEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCCCS2(=O)=O)[C@H](O)C1 ZINC001090433327 786624845 /nfs/dbraw/zinc/62/48/45/786624845.db2.gz PXYRMDDSUHTRMD-ZIAGYGMSSA-N 1 1 343.449 -1.013 20 30 EAEDMO N#Cc1nccnc1N1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001090449868 786733714 /nfs/dbraw/zinc/73/37/14/786733714.db2.gz LTSOCJCRMGXTQK-ZIAGYGMSSA-N 1 1 346.391 -1.264 20 30 EAEDMO N#Cc1ccc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001090449872 786734798 /nfs/dbraw/zinc/73/47/98/786734798.db2.gz LUOHFCPAFUNSEQ-ZIAGYGMSSA-N 1 1 346.391 -1.264 20 30 EAEDMO N#Cc1cncc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001090450104 786736115 /nfs/dbraw/zinc/73/61/15/786736115.db2.gz OLYNULUNQRSPJN-ZIAGYGMSSA-N 1 1 346.391 -1.264 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](O)C1 ZINC001090450228 786735960 /nfs/dbraw/zinc/73/59/60/786735960.db2.gz UWKZYSMIKLDHPS-GXTWGEPZSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](O)C1 ZINC001090450228 786735954 /nfs/dbraw/zinc/73/59/54/786735954.db2.gz UWKZYSMIKLDHPS-GXTWGEPZSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001090450229 786735621 /nfs/dbraw/zinc/73/56/21/786735621.db2.gz UWKZYSMIKLDHPS-JSGCOSHPSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001090450229 786735619 /nfs/dbraw/zinc/73/56/19/786735619.db2.gz UWKZYSMIKLDHPS-JSGCOSHPSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001090450230 786736141 /nfs/dbraw/zinc/73/61/41/786736141.db2.gz UWKZYSMIKLDHPS-OCCSQVGLSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@@H](O)C1 ZINC001090450230 786736135 /nfs/dbraw/zinc/73/61/35/786736135.db2.gz UWKZYSMIKLDHPS-OCCSQVGLSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](O)C1 ZINC001090450232 786735878 /nfs/dbraw/zinc/73/58/78/786735878.db2.gz UWKZYSMIKLDHPS-TZMCWYRMSA-N 1 1 327.348 -1.145 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3cnnn3)cn2)[C@H](O)C1 ZINC001090450232 786735871 /nfs/dbraw/zinc/73/58/71/786735871.db2.gz UWKZYSMIKLDHPS-TZMCWYRMSA-N 1 1 327.348 -1.145 20 30 EAEDMO N#Cc1nccc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)n1 ZINC001090450641 786738778 /nfs/dbraw/zinc/73/87/78/786738778.db2.gz YRVXKHPMFQNGBR-CHWSQXEVSA-N 1 1 346.391 -1.264 20 30 EAEDMO N#Cc1cnc(N2C[C@@H](O)[C@H](NC(=O)CC[NH+]3CCOCC3)C2)cn1 ZINC001090450682 786738591 /nfs/dbraw/zinc/73/85/91/786738591.db2.gz ZVCPPJXIBDURAV-ZIAGYGMSSA-N 1 1 346.391 -1.264 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](O)C1 ZINC001090466440 786782835 /nfs/dbraw/zinc/78/28/35/786782835.db2.gz DGSDYVSVBAJKSI-CHWSQXEVSA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](O)C1 ZINC001090466440 786782829 /nfs/dbraw/zinc/78/28/29/786782829.db2.gz DGSDYVSVBAJKSI-CHWSQXEVSA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](O)C1 ZINC001090466441 786782678 /nfs/dbraw/zinc/78/26/78/786782678.db2.gz DGSDYVSVBAJKSI-OLZOCXBDSA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](O)C1 ZINC001090466441 786782673 /nfs/dbraw/zinc/78/26/73/786782673.db2.gz DGSDYVSVBAJKSI-OLZOCXBDSA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](O)C1 ZINC001090466442 786782914 /nfs/dbraw/zinc/78/29/14/786782914.db2.gz DGSDYVSVBAJKSI-QWHCGFSZSA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@H](O)C1 ZINC001090466442 786782907 /nfs/dbraw/zinc/78/29/07/786782907.db2.gz DGSDYVSVBAJKSI-QWHCGFSZSA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](O)C1 ZINC001090466443 786783043 /nfs/dbraw/zinc/78/30/43/786783043.db2.gz DGSDYVSVBAJKSI-STQMWFEESA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)Cn2nc3ccccn3c2=O)[C@@H](O)C1 ZINC001090466443 786783034 /nfs/dbraw/zinc/78/30/34/786783034.db2.gz DGSDYVSVBAJKSI-STQMWFEESA-N 1 1 329.360 -1.319 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090476802 786829160 /nfs/dbraw/zinc/82/91/60/786829160.db2.gz OREHKMPXGPDRMA-GHMZBOCLSA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090476802 786829151 /nfs/dbraw/zinc/82/91/51/786829151.db2.gz OREHKMPXGPDRMA-GHMZBOCLSA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090476803 786829298 /nfs/dbraw/zinc/82/92/98/786829298.db2.gz OREHKMPXGPDRMA-MNOVXSKESA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090476803 786829284 /nfs/dbraw/zinc/82/92/84/786829284.db2.gz OREHKMPXGPDRMA-MNOVXSKESA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090476804 786829796 /nfs/dbraw/zinc/82/97/96/786829796.db2.gz OREHKMPXGPDRMA-QWRGUYRKSA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090476804 786829786 /nfs/dbraw/zinc/82/97/86/786829786.db2.gz OREHKMPXGPDRMA-QWRGUYRKSA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090476805 786829093 /nfs/dbraw/zinc/82/90/93/786829093.db2.gz OREHKMPXGPDRMA-WDEREUQCSA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CC[N@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090476805 786829085 /nfs/dbraw/zinc/82/90/85/786829085.db2.gz OREHKMPXGPDRMA-WDEREUQCSA-N 1 1 330.352 -1.508 20 30 EAEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090477521 786841130 /nfs/dbraw/zinc/84/11/30/786841130.db2.gz WJFPLQHVCRQORS-NEPJUHHUSA-N 1 1 344.379 -1.118 20 30 EAEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090477522 786840923 /nfs/dbraw/zinc/84/09/23/786840923.db2.gz WJFPLQHVCRQORS-NWDGAFQWSA-N 1 1 344.379 -1.118 20 30 EAEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090477523 786842909 /nfs/dbraw/zinc/84/29/09/786842909.db2.gz WJFPLQHVCRQORS-RYUDHWBXSA-N 1 1 344.379 -1.118 20 30 EAEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@H](O)C1 ZINC001090477524 786843738 /nfs/dbraw/zinc/84/37/38/786843738.db2.gz WJFPLQHVCRQORS-VXGBXAGGSA-N 1 1 344.379 -1.118 20 30 EAEDMO CC#CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)n(-c3nc[nH]n3)n2)[C@@H](O)C1 ZINC001090478007 786852496 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N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2N(C(=O)CNC(N)=O)C1 ZINC001099400494 792073494 /nfs/dbraw/zinc/07/34/94/792073494.db2.gz DRCVJKSPBVKTHN-CYDGBPFRSA-N 1 1 348.407 -1.537 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099400495 792074270 /nfs/dbraw/zinc/07/42/70/792074270.db2.gz DRCVJKSPBVKTHN-LOWDOPEQSA-N 1 1 348.407 -1.537 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099400496 792073798 /nfs/dbraw/zinc/07/37/98/792073798.db2.gz DRCVJKSPBVKTHN-RNJOBUHISA-N 1 1 348.407 -1.537 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099400497 792073230 /nfs/dbraw/zinc/07/32/30/792073230.db2.gz DRCVJKSPBVKTHN-RVMXOQNASA-N 1 1 348.407 -1.537 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CNC(N)=O ZINC001099401757 792073122 /nfs/dbraw/zinc/07/31/22/792073122.db2.gz NPWHRJBTCRPLCE-CRWXNKLISA-N 1 1 347.419 -1.427 20 30 EAEDMO 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N#CCNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001099429830 792075769 /nfs/dbraw/zinc/07/57/69/792075769.db2.gz BJWKIWHWHUGUKP-RNJOBUHISA-N 1 1 333.392 -1.330 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001099429832 792075588 /nfs/dbraw/zinc/07/55/88/792075588.db2.gz BJWKIWHWHUGUKP-RVMXOQNASA-N 1 1 333.392 -1.330 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001099433292 792076252 /nfs/dbraw/zinc/07/62/52/792076252.db2.gz YSTFCEPLIVWNCZ-CRWXNKLISA-N 1 1 332.404 -1.220 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001099433293 792075897 /nfs/dbraw/zinc/07/58/97/792075897.db2.gz YSTFCEPLIVWNCZ-DGAVXFQQSA-N 1 1 332.404 -1.220 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2CN1C(=O)CC(N)=O ZINC001099433294 792074740 /nfs/dbraw/zinc/07/47/40/792074740.db2.gz YSTFCEPLIVWNCZ-FQUUOJAGSA-N 1 1 332.404 -1.220 20 30 EAEDMO 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/nfs/dbraw/zinc/18/82/07/792188207.db2.gz OAAAIRNRTXCUTD-CHWSQXEVSA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001099813378 792188204 /nfs/dbraw/zinc/18/82/04/792188204.db2.gz OAAAIRNRTXCUTD-CHWSQXEVSA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001099813379 792187566 /nfs/dbraw/zinc/18/75/66/792187566.db2.gz OAAAIRNRTXCUTD-OLZOCXBDSA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001099813379 792187561 /nfs/dbraw/zinc/18/75/61/792187561.db2.gz OAAAIRNRTXCUTD-OLZOCXBDSA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001099813380 792188027 /nfs/dbraw/zinc/18/80/27/792188027.db2.gz OAAAIRNRTXCUTD-QWHCGFSZSA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001099813380 792188024 /nfs/dbraw/zinc/18/80/24/792188024.db2.gz OAAAIRNRTXCUTD-QWHCGFSZSA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001099813381 792188056 /nfs/dbraw/zinc/18/80/56/792188056.db2.gz OAAAIRNRTXCUTD-STQMWFEESA-N 1 1 326.397 -1.493 20 30 EAEDMO CNC(=O)NCCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001099813381 792188051 /nfs/dbraw/zinc/18/80/51/792188051.db2.gz OAAAIRNRTXCUTD-STQMWFEESA-N 1 1 326.397 -1.493 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099821182 792189315 /nfs/dbraw/zinc/18/93/15/792189315.db2.gz QTLUFHJEXSJWTN-CHWSQXEVSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099821182 792189309 /nfs/dbraw/zinc/18/93/09/792189309.db2.gz QTLUFHJEXSJWTN-CHWSQXEVSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099821183 792190503 /nfs/dbraw/zinc/19/05/03/792190503.db2.gz QTLUFHJEXSJWTN-OLZOCXBDSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099821183 792190497 /nfs/dbraw/zinc/19/04/97/792190497.db2.gz QTLUFHJEXSJWTN-OLZOCXBDSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099821184 792189839 /nfs/dbraw/zinc/18/98/39/792189839.db2.gz QTLUFHJEXSJWTN-QWHCGFSZSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099821184 792189835 /nfs/dbraw/zinc/18/98/35/792189835.db2.gz QTLUFHJEXSJWTN-QWHCGFSZSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099821185 792189494 /nfs/dbraw/zinc/18/94/94/792189494.db2.gz QTLUFHJEXSJWTN-STQMWFEESA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099821185 792189484 /nfs/dbraw/zinc/18/94/84/792189484.db2.gz QTLUFHJEXSJWTN-STQMWFEESA-N 1 1 336.392 -1.251 20 30 EAEDMO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099826788 792191537 /nfs/dbraw/zinc/19/15/37/792191537.db2.gz QAHNLLREGFIDKE-KBPBESRZSA-N 1 1 348.403 -1.107 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099826789 792191513 /nfs/dbraw/zinc/19/15/13/792191513.db2.gz QAHNLLREGFIDKE-KGLIPLIRSA-N 1 1 348.403 -1.107 20 30 EAEDMO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001099826790 792191629 /nfs/dbraw/zinc/19/16/29/792191629.db2.gz QAHNLLREGFIDKE-UONOGXRCSA-N 1 1 348.403 -1.107 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001099826791 792191252 /nfs/dbraw/zinc/19/12/52/792191252.db2.gz QAHNLLREGFIDKE-ZIAGYGMSSA-N 1 1 348.403 -1.107 20 30 EAEDMO CN(CC[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099826852 792191644 /nfs/dbraw/zinc/19/16/44/792191644.db2.gz RAGNOWULQQUBSY-KBPBESRZSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099826852 792191641 /nfs/dbraw/zinc/19/16/41/792191641.db2.gz RAGNOWULQQUBSY-KBPBESRZSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099826853 792191344 /nfs/dbraw/zinc/19/13/44/792191344.db2.gz RAGNOWULQQUBSY-KGLIPLIRSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@@H](O)C1)S(C)(=O)=O ZINC001099826853 792191339 /nfs/dbraw/zinc/19/13/39/792191339.db2.gz RAGNOWULQQUBSY-KGLIPLIRSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099826854 792191787 /nfs/dbraw/zinc/19/17/87/792191787.db2.gz RAGNOWULQQUBSY-UONOGXRCSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@@H+]1CC[C@H](NC(=O)C#CC2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099826854 792191782 /nfs/dbraw/zinc/19/17/82/792191782.db2.gz RAGNOWULQQUBSY-UONOGXRCSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099826855 792191235 /nfs/dbraw/zinc/19/12/35/792191235.db2.gz RAGNOWULQQUBSY-ZIAGYGMSSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(CC[N@@H+]1CC[C@@H](NC(=O)C#CC2CC2)[C@H](O)C1)S(C)(=O)=O ZINC001099826855 792191230 /nfs/dbraw/zinc/19/12/30/792191230.db2.gz RAGNOWULQQUBSY-ZIAGYGMSSA-N 1 1 343.449 -1.157 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099826860 792191770 /nfs/dbraw/zinc/19/17/70/792191770.db2.gz RFAWZGLPCYXHNG-CHWSQXEVSA-N 1 1 334.376 -1.497 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099826860 792191766 /nfs/dbraw/zinc/19/17/66/792191766.db2.gz RFAWZGLPCYXHNG-CHWSQXEVSA-N 1 1 334.376 -1.497 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099826861 792192102 /nfs/dbraw/zinc/19/21/02/792192102.db2.gz RFAWZGLPCYXHNG-OLZOCXBDSA-N 1 1 334.376 -1.497 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](CCN2C(=O)CNC2=O)C[C@@H]1O ZINC001099826861 792192093 /nfs/dbraw/zinc/19/20/93/792192093.db2.gz RFAWZGLPCYXHNG-OLZOCXBDSA-N 1 1 334.376 -1.497 20 30 EAEDMO O=C(C#CC1CC1)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001099826862 792192197 /nfs/dbraw/zinc/19/21/97/792192197.db2.gz 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C=CC[N@@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001099832110 792192828 /nfs/dbraw/zinc/19/28/28/792192828.db2.gz BIHHKFWPXRLKHG-RYUDHWBXSA-N 1 1 334.442 -1.538 20 30 EAEDMO C=CC[N@@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](O)C1 ZINC001099832111 792192231 /nfs/dbraw/zinc/19/22/31/792192231.db2.gz BIHHKFWPXRLKHG-VXGBXAGGSA-N 1 1 334.442 -1.538 20 30 EAEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](O)C1 ZINC001099832504 786337721 /nfs/dbraw/zinc/33/77/21/786337721.db2.gz IAJZYKFIJBFLMM-CHWSQXEVSA-N 1 1 346.453 -1.701 20 30 EAEDMO C#CCC[N@@H+]1CC[C@@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 ZINC001099832505 786337380 /nfs/dbraw/zinc/33/73/80/786337380.db2.gz IAJZYKFIJBFLMM-OLZOCXBDSA-N 1 1 346.453 -1.701 20 30 EAEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@H](O)C1 ZINC001099832506 786338099 /nfs/dbraw/zinc/33/80/99/786338099.db2.gz IAJZYKFIJBFLMM-QWHCGFSZSA-N 1 1 346.453 -1.701 20 30 EAEDMO C#CCC[N@@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)N(C)C)[C@@H](O)C1 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ZINC001099941620 792260389 /nfs/dbraw/zinc/26/03/89/792260389.db2.gz DWYISAJELJBUME-KGLIPLIRSA-N 1 1 340.424 -1.828 20 30 EAEDMO C=CCOCC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941621 792260335 /nfs/dbraw/zinc/26/03/35/792260335.db2.gz DWYISAJELJBUME-UONOGXRCSA-N 1 1 340.424 -1.828 20 30 EAEDMO C=CCOCC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941622 792259758 /nfs/dbraw/zinc/25/97/58/792259758.db2.gz DWYISAJELJBUME-ZIAGYGMSSA-N 1 1 340.424 -1.828 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099941827 792259812 /nfs/dbraw/zinc/25/98/12/792259812.db2.gz HWMCMQGWYKUEHQ-KBPBESRZSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099941827 792259807 /nfs/dbraw/zinc/25/98/07/792259807.db2.gz HWMCMQGWYKUEHQ-KBPBESRZSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099941828 792260845 /nfs/dbraw/zinc/26/08/45/792260845.db2.gz HWMCMQGWYKUEHQ-KGLIPLIRSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@@H](O)C1 ZINC001099941828 792260836 /nfs/dbraw/zinc/26/08/36/792260836.db2.gz HWMCMQGWYKUEHQ-KGLIPLIRSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941829 792261368 /nfs/dbraw/zinc/26/13/68/792261368.db2.gz HWMCMQGWYKUEHQ-UONOGXRCSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941829 792261359 /nfs/dbraw/zinc/26/13/59/792261359.db2.gz HWMCMQGWYKUEHQ-UONOGXRCSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941830 792260750 /nfs/dbraw/zinc/26/07/50/792260750.db2.gz HWMCMQGWYKUEHQ-ZIAGYGMSSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CN2CCNC(=O)C2)[C@H](O)C1 ZINC001099941830 792260747 /nfs/dbraw/zinc/26/07/47/792260747.db2.gz HWMCMQGWYKUEHQ-ZIAGYGMSSA-N 1 1 338.408 -2.381 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001099942367 792260378 /nfs/dbraw/zinc/26/03/78/792260378.db2.gz QPWNOOVEUMKHDF-KBPBESRZSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001099942367 792260371 /nfs/dbraw/zinc/26/03/71/792260371.db2.gz QPWNOOVEUMKHDF-KBPBESRZSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001099942368 792259876 /nfs/dbraw/zinc/25/98/76/792259876.db2.gz QPWNOOVEUMKHDF-KGLIPLIRSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@@H](O)C1 ZINC001099942368 792259864 /nfs/dbraw/zinc/25/98/64/792259864.db2.gz QPWNOOVEUMKHDF-KGLIPLIRSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC001099942369 792260735 /nfs/dbraw/zinc/26/07/35/792260735.db2.gz QPWNOOVEUMKHDF-UONOGXRCSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC001099942369 792260729 /nfs/dbraw/zinc/26/07/29/792260729.db2.gz QPWNOOVEUMKHDF-UONOGXRCSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC001099942370 792260648 /nfs/dbraw/zinc/26/06/48/792260648.db2.gz QPWNOOVEUMKHDF-ZIAGYGMSSA-N 1 1 344.375 -1.061 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn3nnnc3c2)[C@H](O)C1 ZINC001099942370 792260641 /nfs/dbraw/zinc/26/06/41/792260641.db2.gz QPWNOOVEUMKHDF-ZIAGYGMSSA-N 1 1 344.375 -1.061 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971691 792270952 /nfs/dbraw/zinc/27/09/52/792270952.db2.gz LFTRNKKINOSDRA-NEPJUHHUSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971691 792270950 /nfs/dbraw/zinc/27/09/50/792270950.db2.gz LFTRNKKINOSDRA-NEPJUHHUSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971692 792272030 /nfs/dbraw/zinc/27/20/30/792272030.db2.gz LFTRNKKINOSDRA-NWDGAFQWSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971692 792272027 /nfs/dbraw/zinc/27/20/27/792272027.db2.gz LFTRNKKINOSDRA-NWDGAFQWSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971693 792271925 /nfs/dbraw/zinc/27/19/25/792271925.db2.gz LFTRNKKINOSDRA-RYUDHWBXSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099971693 792271919 /nfs/dbraw/zinc/27/19/19/792271919.db2.gz LFTRNKKINOSDRA-RYUDHWBXSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971694 792272003 /nfs/dbraw/zinc/27/20/03/792272003.db2.gz LFTRNKKINOSDRA-VXGBXAGGSA-N 1 1 326.397 -1.552 20 30 EAEDMO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099971694 792271999 /nfs/dbraw/zinc/27/19/99/792271999.db2.gz LFTRNKKINOSDRA-VXGBXAGGSA-N 1 1 326.397 -1.552 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979438 792275256 /nfs/dbraw/zinc/27/52/56/792275256.db2.gz UTPMLBCPCNRSSL-GHMZBOCLSA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979438 792275249 /nfs/dbraw/zinc/27/52/49/792275249.db2.gz UTPMLBCPCNRSSL-GHMZBOCLSA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979439 786434859 /nfs/dbraw/zinc/43/48/59/786434859.db2.gz UTPMLBCPCNRSSL-MNOVXSKESA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979439 786434858 /nfs/dbraw/zinc/43/48/58/786434858.db2.gz UTPMLBCPCNRSSL-MNOVXSKESA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979440 786435618 /nfs/dbraw/zinc/43/56/18/786435618.db2.gz UTPMLBCPCNRSSL-QWRGUYRKSA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@@H](O)C1 ZINC001099979440 786435613 /nfs/dbraw/zinc/43/56/13/786435613.db2.gz UTPMLBCPCNRSSL-QWRGUYRKSA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979441 786435801 /nfs/dbraw/zinc/43/58/01/786435801.db2.gz UTPMLBCPCNRSSL-WDEREUQCSA-N 1 1 325.369 -2.215 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)C(N)=O)[C@H](O)C1 ZINC001099979441 786435797 /nfs/dbraw/zinc/43/57/97/786435797.db2.gz UTPMLBCPCNRSSL-WDEREUQCSA-N 1 1 325.369 -2.215 20 30 EAEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980301 786436632 /nfs/dbraw/zinc/43/66/32/786436632.db2.gz FSRCPVXLYSCFKY-CHWSQXEVSA-N 1 1 349.453 -1.191 20 30 EAEDMO C=CCOCC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980302 786436420 /nfs/dbraw/zinc/43/64/20/786436420.db2.gz FSRCPVXLYSCFKY-OLZOCXBDSA-N 1 1 349.453 -1.191 20 30 EAEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980303 786436766 /nfs/dbraw/zinc/43/67/66/786436766.db2.gz FSRCPVXLYSCFKY-QWHCGFSZSA-N 1 1 349.453 -1.191 20 30 EAEDMO C=CCOCC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980304 786436942 /nfs/dbraw/zinc/43/69/42/786436942.db2.gz FSRCPVXLYSCFKY-STQMWFEESA-N 1 1 349.453 -1.191 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980349 792279557 /nfs/dbraw/zinc/27/95/57/792279557.db2.gz GPXGHBTYDHWGFW-CHWSQXEVSA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980349 792279547 /nfs/dbraw/zinc/27/95/47/792279547.db2.gz GPXGHBTYDHWGFW-CHWSQXEVSA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980350 792278295 /nfs/dbraw/zinc/27/82/95/792278295.db2.gz GPXGHBTYDHWGFW-OLZOCXBDSA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980350 792278288 /nfs/dbraw/zinc/27/82/88/792278288.db2.gz GPXGHBTYDHWGFW-OLZOCXBDSA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980351 786437208 /nfs/dbraw/zinc/43/72/08/786437208.db2.gz GPXGHBTYDHWGFW-QWHCGFSZSA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@H](O)C1 ZINC001099980351 786437205 /nfs/dbraw/zinc/43/72/05/786437205.db2.gz GPXGHBTYDHWGFW-QWHCGFSZSA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980352 786437233 /nfs/dbraw/zinc/43/72/33/786437233.db2.gz GPXGHBTYDHWGFW-STQMWFEESA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CCCS(N)(=O)=O)[C@@H](O)C1 ZINC001099980352 786437229 /nfs/dbraw/zinc/43/72/29/786437229.db2.gz GPXGHBTYDHWGFW-STQMWFEESA-N 1 1 347.437 -1.744 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100007904 792286810 /nfs/dbraw/zinc/28/68/10/792286810.db2.gz BIBYSPKCBYZPFI-CABCVRRESA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100007904 792286803 /nfs/dbraw/zinc/28/68/03/792286803.db2.gz BIBYSPKCBYZPFI-CABCVRRESA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100007905 792286974 /nfs/dbraw/zinc/28/69/74/792286974.db2.gz BIBYSPKCBYZPFI-GJZGRUSLSA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@@H](O)C1 ZINC001100007905 792286967 /nfs/dbraw/zinc/28/69/67/792286967.db2.gz BIBYSPKCBYZPFI-GJZGRUSLSA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100007906 792286146 /nfs/dbraw/zinc/28/61/46/792286146.db2.gz BIBYSPKCBYZPFI-HUUCEWRRSA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100007906 792286139 /nfs/dbraw/zinc/28/61/39/792286139.db2.gz BIBYSPKCBYZPFI-HUUCEWRRSA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100007908 792287931 /nfs/dbraw/zinc/28/79/31/792287931.db2.gz BIBYSPKCBYZPFI-LSDHHAIUSA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)CCc2cnn(C)n2)[C@H](O)C1 ZINC001100007908 792287922 /nfs/dbraw/zinc/28/79/22/792287922.db2.gz BIBYSPKCBYZPFI-LSDHHAIUSA-N 1 1 335.408 -1.051 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008997 792287234 /nfs/dbraw/zinc/28/72/34/792287234.db2.gz RAHQHRWYDWEACQ-BXUZGUMPSA-N 1 1 334.376 -1.072 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@H](O)C1 ZINC001100008997 792287223 /nfs/dbraw/zinc/28/72/23/792287223.db2.gz RAHQHRWYDWEACQ-BXUZGUMPSA-N 1 1 334.376 -1.072 20 30 EAEDMO COCC#CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008998 792287172 /nfs/dbraw/zinc/28/71/72/792287172.db2.gz RAHQHRWYDWEACQ-FZMZJTMJSA-N 1 1 334.376 -1.072 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(N)=O)[nH]2)[C@@H](O)C1 ZINC001100008998 792287166 /nfs/dbraw/zinc/28/71/66/792287166.db2.gz RAHQHRWYDWEACQ-FZMZJTMJSA-N 1 1 334.376 -1.072 20 30 EAEDMO 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C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC001102043773 792524542 /nfs/dbraw/zinc/52/45/42/792524542.db2.gz LKQGDNPXFDIRIX-JHJVBQTASA-N 1 1 335.408 -1.164 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2CCNC2=O)[C@H](C)C1 ZINC001102043987 792525260 /nfs/dbraw/zinc/52/52/60/792525260.db2.gz SKEMFOBGDYTHEZ-HZSPNIEDSA-N 1 1 334.420 -1.054 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@H]2CCNC2=O)[C@H](C)C1 ZINC001102043988 792525869 /nfs/dbraw/zinc/52/58/69/792525869.db2.gz SKEMFOBGDYTHEZ-MGPQQGTHSA-N 1 1 334.420 -1.054 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[C@@H]2NC(=O)NC2=O)[C@H](C)C1 ZINC001102056067 792527477 /nfs/dbraw/zinc/52/74/77/792527477.db2.gz MBTWSMPHMIHQIT-UTUOFQBUSA-N 1 1 349.391 -1.982 20 30 EAEDMO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102056287 792527347 /nfs/dbraw/zinc/52/73/47/792527347.db2.gz ZYVZCBIUFVJZPR-MCIONIFRSA-N 1 1 349.435 -1.037 20 30 EAEDMO 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ZINC001102066764 792528043 /nfs/dbraw/zinc/52/80/43/792528043.db2.gz VIEXGUXJEIOBCY-MCIONIFRSA-N 1 1 334.420 -1.054 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCCNC2=O)[C@H](C)C1 ZINC001102066766 792526765 /nfs/dbraw/zinc/52/67/65/792526765.db2.gz VIEXGUXJEIOBCY-MGPQQGTHSA-N 1 1 334.420 -1.054 20 30 EAEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCCC(=O)N1 ZINC001102072297 792527960 /nfs/dbraw/zinc/52/79/60/792527960.db2.gz JPJVTMMFUWXHAJ-JHJVBQTASA-N 1 1 335.408 -1.021 20 30 EAEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)Cn1ncn(C)c1=O ZINC001102108216 792530790 /nfs/dbraw/zinc/53/07/90/792530790.db2.gz ATQPMWMDEAUUDE-VXGBXAGGSA-N 1 1 349.395 -2.094 20 30 EAEDMO COCC#CC[N@@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102108427 792529034 /nfs/dbraw/zinc/52/90/34/792529034.db2.gz MKUHFZNBIWMKGF-ZIAGYGMSSA-N 1 1 335.408 -1.084 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cn2ncn(C)c2=O)[C@H](C)C1 ZINC001102108670 792530812 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IMSNLNXDTKKJDD-HZSPNIEDSA-N 1 1 334.420 -1.054 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC(=O)NC2)[C@H](C)C1 ZINC001102112826 792529849 /nfs/dbraw/zinc/52/98/49/792529849.db2.gz IMSNLNXDTKKJDD-MGPQQGTHSA-N 1 1 334.420 -1.054 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CN2CCCNC2=O)[C@H](C)C1 ZINC001102119524 792529720 /nfs/dbraw/zinc/52/97/20/792529720.db2.gz QIYLCYHFJPCNEA-ZIAGYGMSSA-N 1 1 349.435 -1.165 20 30 EAEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)c1cn(C)c(=O)cn1 ZINC001102165420 792530662 /nfs/dbraw/zinc/53/06/62/792530662.db2.gz FTVQCJJEXSEEID-VXGBXAGGSA-N 1 1 346.391 -1.282 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)c2cn(C)c(=O)cn2)[C@H](C)C1 ZINC001102165570 792530442 /nfs/dbraw/zinc/53/04/42/792530442.db2.gz IFWNIYPNGQSRJP-CHWSQXEVSA-N 1 1 345.403 -1.173 20 30 EAEDMO C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@]1(C)CNC(=O)C1 ZINC001102177220 792529808 /nfs/dbraw/zinc/52/98/08/792529808.db2.gz OKNMKMZILOEVGQ-HSMVNMDESA-N 1 1 335.408 -1.164 20 30 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C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001114265663 786835134 /nfs/dbraw/zinc/83/51/34/786835134.db2.gz GPGBDVNJMIEUTG-JYAVWHMHSA-N 1 1 336.392 -1.082 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114266514 786834902 /nfs/dbraw/zinc/83/49/02/786834902.db2.gz RJWMLLMBVLJVDY-HALDLXJZSA-N 1 1 335.404 -1.069 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCOCC3)C[C@H]21 ZINC001114266514 786834895 /nfs/dbraw/zinc/83/48/95/786834895.db2.gz RJWMLLMBVLJVDY-HALDLXJZSA-N 1 1 335.404 -1.069 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266704 786835116 /nfs/dbraw/zinc/83/51/16/786835116.db2.gz VEUPHWMJYIGSGN-VIKVFOODSA-N 1 1 347.419 -1.412 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)N1CCCC1 ZINC001114266704 786835107 /nfs/dbraw/zinc/83/51/07/786835107.db2.gz VEUPHWMJYIGSGN-VIKVFOODSA-N 1 1 347.419 -1.412 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001114266837 786834381 /nfs/dbraw/zinc/83/43/81/786834381.db2.gz XUCDFCPWKJOXGG-NHAGDIPZSA-N 1 1 343.449 -1.036 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114266852 786834529 /nfs/dbraw/zinc/83/45/29/786834529.db2.gz YDNQFQGQNMNIRB-LAQFHYBYSA-N 1 1 348.403 -1.969 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114266852 786834518 /nfs/dbraw/zinc/83/45/18/786834518.db2.gz YDNQFQGQNMNIRB-LAQFHYBYSA-N 1 1 348.403 -1.969 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114268834 786830583 /nfs/dbraw/zinc/83/05/83/786830583.db2.gz REHKZPVYSZHAKN-IMRBUKKESA-N 1 1 329.422 -1.378 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCNS(C)(=O)=O)C[C@H]21 ZINC001114268834 786830572 /nfs/dbraw/zinc/83/05/72/786830572.db2.gz REHKZPVYSZHAKN-IMRBUKKESA-N 1 1 329.422 -1.378 20 30 EAEDMO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114268837 786831127 /nfs/dbraw/zinc/83/11/27/786831127.db2.gz REUISBCYOKDKRB-JYAVWHMHSA-N 1 1 334.376 -1.376 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001114270218 786830487 /nfs/dbraw/zinc/83/04/87/786830487.db2.gz BKBZFRMFNPIZBX-IGQOVBAYSA-N 1 1 343.449 -1.038 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001114270220 786831161 /nfs/dbraw/zinc/83/11/61/786831161.db2.gz BKBZFRMFNPIZBX-MQYQWHSLSA-N 1 1 343.449 -1.038 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114270364 786831865 /nfs/dbraw/zinc/83/18/65/786831865.db2.gz DJUVJUUWBMVHPJ-YABSGUDNSA-N 1 1 342.421 -2.279 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114270364 786831855 /nfs/dbraw/zinc/83/18/55/786831855.db2.gz DJUVJUUWBMVHPJ-YABSGUDNSA-N 1 1 342.421 -2.279 20 30 EAEDMO 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C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NC(=O)NCC)C[C@H]21 ZINC001114270639 786831755 /nfs/dbraw/zinc/83/17/55/786831755.db2.gz IVKNFTURDQCPFG-NMKXLXIOSA-N 1 1 336.392 -1.083 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114270976 786832520 /nfs/dbraw/zinc/83/25/20/786832520.db2.gz NLKKUZYVNBWVBO-BCUIYNNISA-N 1 1 348.403 -1.971 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114270976 786832514 /nfs/dbraw/zinc/83/25/14/786832514.db2.gz NLKKUZYVNBWVBO-BCUIYNNISA-N 1 1 348.403 -1.971 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114270977 786832109 /nfs/dbraw/zinc/83/21/09/786832109.db2.gz NLKKUZYVNBWVBO-FOCJUVANSA-N 1 1 348.403 -1.971 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCNC(=O)C3)C[C@H]21 ZINC001114270977 786832098 /nfs/dbraw/zinc/83/20/98/786832098.db2.gz NLKKUZYVNBWVBO-FOCJUVANSA-N 1 1 348.403 -1.971 20 30 EAEDMO 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C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)NC ZINC001114271357 786832657 /nfs/dbraw/zinc/83/26/57/786832657.db2.gz UOXYNWQIVIQDKT-YABSGUDNSA-N 1 1 344.437 -1.726 20 30 EAEDMO Cc1cccn(CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c1=O ZINC001114272791 786832180 /nfs/dbraw/zinc/83/21/80/786832180.db2.gz AQHKJJHJJFUUFW-VIKVFOODSA-N 1 1 343.387 -1.157 20 30 EAEDMO Cc1cccn(CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c1=O ZINC001114272791 786832170 /nfs/dbraw/zinc/83/21/70/786832170.db2.gz AQHKJJHJJFUUFW-VIKVFOODSA-N 1 1 343.387 -1.157 20 30 EAEDMO C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114273529 786832991 /nfs/dbraw/zinc/83/29/91/786832991.db2.gz OBNSPWCFBTYGIH-IMRBUKKESA-N 1 1 328.438 -1.206 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccc(C)c1=O ZINC001114273622 786833615 /nfs/dbraw/zinc/83/36/15/786833615.db2.gz PMCMEOYNRLODGC-HALDLXJZSA-N 1 1 342.399 -1.047 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccc(C)c1=O ZINC001114273622 786833606 /nfs/dbraw/zinc/83/36/06/786833606.db2.gz PMCMEOYNRLODGC-HALDLXJZSA-N 1 1 342.399 -1.047 20 30 EAEDMO CNS(=O)(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001114273634 786833213 /nfs/dbraw/zinc/83/32/13/786833213.db2.gz PUYVNXZXMARYCL-IMRBUKKESA-N 1 1 329.422 -1.378 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114274031 786833494 /nfs/dbraw/zinc/83/34/94/786833494.db2.gz YVQGUQLECBEXQL-CIQGVGRVSA-N 1 1 334.376 -1.377 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CCN3C(=O)CNC3=O)C[C@H]21 ZINC001114274033 786833579 /nfs/dbraw/zinc/83/35/79/786833579.db2.gz YVQGUQLECBEXQL-NMKXLXIOSA-N 1 1 334.376 -1.377 20 30 EAEDMO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN(C)S(=O)(=O)N(C)C ZINC001114275895 786833861 /nfs/dbraw/zinc/83/38/61/786833861.db2.gz OXBKKBZKXHCDLP-IMRBUKKESA-N 1 1 328.438 -1.206 20 30 EAEDMO 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C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)NC(=O)COC ZINC001114313947 791327555 /nfs/dbraw/zinc/32/75/55/791327555.db2.gz MKIGKSLFTVHKKX-FJJYHAOUSA-N 1 1 336.392 -2.067 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)COC ZINC001114313950 791327525 /nfs/dbraw/zinc/32/75/25/791327525.db2.gz MKIGKSLFTVHKKX-UUIJZJDISA-N 1 1 336.392 -2.067 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)NC(=O)COC ZINC001114313950 791327521 /nfs/dbraw/zinc/32/75/21/791327521.db2.gz MKIGKSLFTVHKKX-UUIJZJDISA-N 1 1 336.392 -2.067 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114316416 791419260 /nfs/dbraw/zinc/41/92/60/791419260.db2.gz GMAWNWPGORRNHK-JYAVWHMHSA-N 1 1 345.359 -1.304 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)c1ccoc1 ZINC001114316416 791419253 /nfs/dbraw/zinc/41/92/53/791419253.db2.gz GMAWNWPGORRNHK-JYAVWHMHSA-N 1 1 345.359 -1.304 20 30 EAEDMO 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N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CCOCC1 ZINC001114906365 791712388 /nfs/dbraw/zinc/71/23/88/791712388.db2.gz GYBSNZNVHLJHBB-VIKVFOODSA-N 1 1 336.392 -1.132 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114906754 791712472 /nfs/dbraw/zinc/71/24/72/791712472.db2.gz JRUGEZDWFPXTLQ-SZOQZIPDSA-N 1 1 335.404 -1.165 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114906754 791712463 /nfs/dbraw/zinc/71/24/63/791712463.db2.gz JRUGEZDWFPXTLQ-SZOQZIPDSA-N 1 1 335.404 -1.165 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCOC1 ZINC001114906755 791712587 /nfs/dbraw/zinc/71/25/87/791712587.db2.gz JRUGEZDWFPXTLQ-WVZRYYJFSA-N 1 1 335.404 -1.165 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCOC1 ZINC001114906755 791712580 /nfs/dbraw/zinc/71/25/80/791712580.db2.gz JRUGEZDWFPXTLQ-WVZRYYJFSA-N 1 1 335.404 -1.165 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CCOCC1 ZINC001114908017 791712639 /nfs/dbraw/zinc/71/26/39/791712639.db2.gz UKCPBQNWTNSBPU-HALDLXJZSA-N 1 1 335.404 -1.022 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CCOCC1 ZINC001114908017 791712636 /nfs/dbraw/zinc/71/26/36/791712636.db2.gz UKCPBQNWTNSBPU-HALDLXJZSA-N 1 1 335.404 -1.022 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001114910543 791712513 /nfs/dbraw/zinc/71/25/13/791712513.db2.gz SCWZIFVZKDRRBN-IMRBUKKESA-N 1 1 346.387 -1.606 20 30 EAEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001114910920 791712537 /nfs/dbraw/zinc/71/25/37/791712537.db2.gz XVSDSAYTXXQEGG-IMRBUKKESA-N 1 1 348.403 -1.053 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114912763 791713441 /nfs/dbraw/zinc/71/34/41/791713441.db2.gz LLKUUVPRKFHMIU-BCUIYNNISA-N 1 1 336.392 -1.274 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@H]1CCOC1 ZINC001114912763 791713434 /nfs/dbraw/zinc/71/34/34/791713434.db2.gz LLKUUVPRKFHMIU-BCUIYNNISA-N 1 1 336.392 -1.274 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCOC1 ZINC001114912764 791713220 /nfs/dbraw/zinc/71/32/20/791713220.db2.gz LLKUUVPRKFHMIU-FOCJUVANSA-N 1 1 336.392 -1.274 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC[C@@H]1CCOC1 ZINC001114912764 791713214 /nfs/dbraw/zinc/71/32/14/791713214.db2.gz LLKUUVPRKFHMIU-FOCJUVANSA-N 1 1 336.392 -1.274 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NCC ZINC001114915018 791713415 /nfs/dbraw/zinc/71/34/15/791713415.db2.gz DICNCFHODALVQZ-IMRBUKKESA-N 1 1 349.435 -1.120 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NCC ZINC001114915018 791713412 /nfs/dbraw/zinc/71/34/12/791713412.db2.gz DICNCFHODALVQZ-IMRBUKKESA-N 1 1 349.435 -1.120 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CN1C(=O)C(=O)N(C)C1=O ZINC001114915835 791713710 /nfs/dbraw/zinc/71/37/10/791713710.db2.gz SATDNSWNAXHAFA-PJXYFTJBSA-N 1 1 348.359 -1.897 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(OC)n1 ZINC001114930910 791715015 /nfs/dbraw/zinc/71/50/15/791715015.db2.gz XDSDXVIOBWSRPD-HBYGRHMLSA-N 1 1 329.360 -1.105 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncc(OC)n1 ZINC001114930910 791715006 /nfs/dbraw/zinc/71/50/06/791715006.db2.gz XDSDXVIOBWSRPD-HBYGRHMLSA-N 1 1 329.360 -1.105 20 30 EAEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114932101 791715838 /nfs/dbraw/zinc/71/58/38/791715838.db2.gz FWTVGOQKBRJMKW-SFDCQRBFSA-N 1 1 338.408 -1.385 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114932964 791716012 /nfs/dbraw/zinc/71/60/12/791716012.db2.gz NBRRAWZEJPYTIZ-SFDCQRBFSA-N 1 1 336.392 -1.937 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114933166 791715617 /nfs/dbraw/zinc/71/56/17/791715617.db2.gz QKANKBQLFLEHCE-OZTPJHRESA-N 1 1 349.391 -2.838 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](NC(C)=O)C(N)=O ZINC001114933166 791715608 /nfs/dbraw/zinc/71/56/08/791715608.db2.gz QKANKBQLFLEHCE-OZTPJHRESA-N 1 1 349.391 -2.838 20 30 EAEDMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114935079 792026842 /nfs/dbraw/zinc/02/68/42/792026842.db2.gz KYOYVZJIUPGQKJ-CXTNEJHOSA-N 1 1 347.419 -1.069 20 30 EAEDMO C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114935079 792026829 /nfs/dbraw/zinc/02/68/29/792026829.db2.gz KYOYVZJIUPGQKJ-CXTNEJHOSA-N 1 1 347.419 -1.069 20 30 EAEDMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114935081 792026665 /nfs/dbraw/zinc/02/66/65/792026665.db2.gz KYOYVZJIUPGQKJ-RMRHIDDWSA-N 1 1 347.419 -1.069 20 30 EAEDMO C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001114935081 792026656 /nfs/dbraw/zinc/02/66/56/792026656.db2.gz KYOYVZJIUPGQKJ-RMRHIDDWSA-N 1 1 347.419 -1.069 20 30 EAEDMO CC1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114935327 792027151 /nfs/dbraw/zinc/02/71/51/792027151.db2.gz OTPLIIKEPCUDBX-NHAGDIPZSA-N 1 1 347.419 -1.069 20 30 EAEDMO CC1CCN(C(=O)C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114935327 792027135 /nfs/dbraw/zinc/02/71/35/792027135.db2.gz OTPLIIKEPCUDBX-NHAGDIPZSA-N 1 1 347.419 -1.069 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC001114939197 785121455 /nfs/dbraw/zinc/12/14/55/785121455.db2.gz CZGXXJDSRPIPSA-JYAVWHMHSA-N 1 1 345.407 -1.408 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nnnc1C(C)C ZINC001114939197 785121446 /nfs/dbraw/zinc/12/14/46/785121446.db2.gz CZGXXJDSRPIPSA-JYAVWHMHSA-N 1 1 345.407 -1.408 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114939460 785196762 /nfs/dbraw/zinc/19/67/62/785196762.db2.gz IRCBYRXQTVNLFD-SVDPJWKOSA-N 1 1 347.379 -1.293 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114939460 785196756 /nfs/dbraw/zinc/19/67/56/785196756.db2.gz IRCBYRXQTVNLFD-SVDPJWKOSA-N 1 1 347.379 -1.293 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114939461 785196350 /nfs/dbraw/zinc/19/63/50/785196350.db2.gz IRCBYRXQTVNLFD-UXCLJVHYSA-N 1 1 347.379 -1.293 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114939461 785196342 /nfs/dbraw/zinc/19/63/42/785196342.db2.gz IRCBYRXQTVNLFD-UXCLJVHYSA-N 1 1 347.379 -1.293 20 30 EAEDMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114939968 785839615 /nfs/dbraw/zinc/83/96/15/785839615.db2.gz SPUPEUYKALMUHE-YABSGUDNSA-N 1 1 346.395 -1.517 20 30 EAEDMO CC(C)c1nnnn1CC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114939968 785839605 /nfs/dbraw/zinc/83/96/05/785839605.db2.gz SPUPEUYKALMUHE-YABSGUDNSA-N 1 1 346.395 -1.517 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(=O)NC)C[C@H]32)nn1 ZINC001114942608 785124802 /nfs/dbraw/zinc/12/48/02/785124802.db2.gz OAVWMBHYHMQKDU-IWIIMEHWSA-N 1 1 347.379 -1.420 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(=O)NC)C[C@H]32)nn1 ZINC001114942608 785124796 /nfs/dbraw/zinc/12/47/96/785124796.db2.gz OAVWMBHYHMQKDU-IWIIMEHWSA-N 1 1 347.379 -1.420 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC=C)nn1 ZINC001114943239 785143966 /nfs/dbraw/zinc/14/39/66/785143966.db2.gz VSDSTRJQROUYJX-JYAVWHMHSA-N 1 1 328.376 -1.127 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC=C)nn1 ZINC001114943239 785143964 /nfs/dbraw/zinc/14/39/64/785143964.db2.gz VSDSTRJQROUYJX-JYAVWHMHSA-N 1 1 328.376 -1.127 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114943432 785156969 /nfs/dbraw/zinc/15/69/69/785156969.db2.gz ZMPXHAWSZXYSEB-GDGBQDQQSA-N 1 1 333.352 -1.681 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114943432 785156965 /nfs/dbraw/zinc/15/69/65/785156965.db2.gz ZMPXHAWSZXYSEB-GDGBQDQQSA-N 1 1 333.352 -1.681 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)S1(=O)=O ZINC001114951352 791434069 /nfs/dbraw/zinc/43/40/69/791434069.db2.gz HCQRGGYANBQBMI-RFQIPJPRSA-N 1 1 341.433 -1.284 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)S1(=O)=O ZINC001114951353 791434574 /nfs/dbraw/zinc/43/45/74/791434574.db2.gz HCQRGGYANBQBMI-RQJABVFESA-N 1 1 341.433 -1.284 20 30 EAEDMO C=CCCn1cc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nn1 ZINC001114951371 791434663 /nfs/dbraw/zinc/43/46/63/791434663.db2.gz HGXFOQXKHXUPNO-IWIIMEHWSA-N 1 1 347.379 -1.291 20 30 EAEDMO 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CN(C)C(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115136799 792617631 /nfs/dbraw/zinc/61/76/31/792617631.db2.gz YQWYGFVYGJMPIJ-ATCWAGBWSA-N 1 1 335.408 -1.069 20 30 EAEDMO CCNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115138353 792617850 /nfs/dbraw/zinc/61/78/50/792617850.db2.gz RVVIMTBQXRAYDQ-ATCWAGBWSA-N 1 1 335.408 -1.021 20 30 EAEDMO CCNC(=O)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115138353 792617843 /nfs/dbraw/zinc/61/78/43/792617843.db2.gz RVVIMTBQXRAYDQ-ATCWAGBWSA-N 1 1 335.408 -1.021 20 30 EAEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001115139698 792617490 /nfs/dbraw/zinc/61/74/90/792617490.db2.gz ILZQJMJVPAVWMJ-IMRBUKKESA-N 1 1 327.344 -1.082 20 30 EAEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)cn1 ZINC001115139698 792617485 /nfs/dbraw/zinc/61/74/85/792617485.db2.gz ILZQJMJVPAVWMJ-IMRBUKKESA-N 1 1 327.344 -1.082 20 30 EAEDMO CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115139915 792617200 /nfs/dbraw/zinc/61/72/00/792617200.db2.gz NJIRZHYNPDYOEY-ATCWAGBWSA-N 1 1 335.408 -1.021 20 30 EAEDMO CCCNC(=O)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115139915 792617192 /nfs/dbraw/zinc/61/71/92/792617192.db2.gz NJIRZHYNPDYOEY-ATCWAGBWSA-N 1 1 335.408 -1.021 20 30 EAEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)nc1 ZINC001115140166 792617467 /nfs/dbraw/zinc/61/74/67/792617467.db2.gz RSKHEEQONUKUIH-YABSGUDNSA-N 1 1 327.344 -1.082 20 30 EAEDMO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)nc1 ZINC001115140166 792617459 /nfs/dbraw/zinc/61/74/59/792617459.db2.gz RSKHEEQONUKUIH-YABSGUDNSA-N 1 1 327.344 -1.082 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141648 792616996 /nfs/dbraw/zinc/61/69/96/792616996.db2.gz CVFDARCYDBZWLM-BBGACYKPSA-N 1 1 349.391 -1.677 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC(=O)N1 ZINC001115141648 792616990 /nfs/dbraw/zinc/61/69/90/792616990.db2.gz CVFDARCYDBZWLM-BBGACYKPSA-N 1 1 349.391 -1.677 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)=O ZINC001115142498 792618870 /nfs/dbraw/zinc/61/88/70/792618870.db2.gz WCJWNUABZUNDOA-KNCOVGOOSA-N 1 1 332.404 -1.207 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(C)=O ZINC001115142498 792618859 /nfs/dbraw/zinc/61/88/59/792618859.db2.gz WCJWNUABZUNDOA-KNCOVGOOSA-N 1 1 332.404 -1.207 20 30 EAEDMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115142568 792618324 /nfs/dbraw/zinc/61/83/24/792618324.db2.gz XAJQILHEDGABPW-SFDCQRBFSA-N 1 1 333.392 -1.317 20 30 EAEDMO CC(=O)N1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115142568 792618322 /nfs/dbraw/zinc/61/83/22/792618322.db2.gz XAJQILHEDGABPW-SFDCQRBFSA-N 1 1 333.392 -1.317 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)C ZINC001115148014 792618902 /nfs/dbraw/zinc/61/89/02/792618902.db2.gz JNCJLFQSMBWDQZ-CLWVCHIJSA-N 1 1 334.420 -1.057 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](NC(C)=O)C(C)C ZINC001115148014 792618894 /nfs/dbraw/zinc/61/88/94/792618894.db2.gz JNCJLFQSMBWDQZ-CLWVCHIJSA-N 1 1 334.420 -1.057 20 30 EAEDMO CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)C(C)C ZINC001115148891 792619158 /nfs/dbraw/zinc/61/91/58/792619158.db2.gz XGNNVWVFKFIACP-OSRDXIQISA-N 1 1 335.408 -1.167 20 30 EAEDMO CC(=O)N[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)C(C)C ZINC001115148891 792619148 /nfs/dbraw/zinc/61/91/48/792619148.db2.gz XGNNVWVFKFIACP-OSRDXIQISA-N 1 1 335.408 -1.167 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1nc(C)ccc1=O ZINC001115149581 792618478 /nfs/dbraw/zinc/61/84/78/792618478.db2.gz BNSDQQMSFGYCQX-LAQFHYBYSA-N 1 1 343.387 -1.652 20 30 EAEDMO 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CC[C@@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115254980 792641081 /nfs/dbraw/zinc/64/10/81/792641081.db2.gz URVNGINTQQFAMP-FJJYHAOUSA-N 1 1 335.408 -1.165 20 30 EAEDMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115254983 792641018 /nfs/dbraw/zinc/64/10/18/792641018.db2.gz URVNGINTQQFAMP-UUIJZJDISA-N 1 1 335.408 -1.165 20 30 EAEDMO CC[C@H](C)C(=O)NCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115254983 792641014 /nfs/dbraw/zinc/64/10/14/792641014.db2.gz URVNGINTQQFAMP-UUIJZJDISA-N 1 1 335.408 -1.165 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115255085 792640738 /nfs/dbraw/zinc/64/07/38/792640738.db2.gz WVSJLDKQXRUVOJ-DCQANWLSSA-N 1 1 342.421 -2.280 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CS(=O)(=O)NC ZINC001115255087 792641143 /nfs/dbraw/zinc/64/11/43/792641143.db2.gz WVSJLDKQXRUVOJ-MEWQQHAOSA-N 1 1 342.421 -2.280 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256018 792640893 /nfs/dbraw/zinc/64/08/93/792640893.db2.gz CWYKZTMHGLQDPM-LAQFHYBYSA-N 1 1 332.404 -1.205 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256018 792640889 /nfs/dbraw/zinc/64/08/89/792640889.db2.gz CWYKZTMHGLQDPM-LAQFHYBYSA-N 1 1 332.404 -1.205 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256308 792642414 /nfs/dbraw/zinc/64/24/14/792642414.db2.gz OGIAJUPJYVXNNC-ATCWAGBWSA-N 1 1 333.392 -1.315 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCN1CCCC1=O ZINC001115256308 792642411 /nfs/dbraw/zinc/64/24/11/792642411.db2.gz OGIAJUPJYVXNNC-ATCWAGBWSA-N 1 1 333.392 -1.315 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC001115264970 792642272 /nfs/dbraw/zinc/64/22/72/792642272.db2.gz AVAGIGACLUCHMD-QXSJWSMHSA-N 1 1 335.404 -1.070 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC001115264972 792642326 /nfs/dbraw/zinc/64/23/26/792642326.db2.gz AVAGIGACLUCHMD-XUWVNRHRSA-N 1 1 335.404 -1.070 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC001115265258 792642390 /nfs/dbraw/zinc/64/23/90/792642390.db2.gz GFGBEQHYGNNPHR-CTASWTNQSA-N 1 1 348.403 -1.971 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1COCCN1C(C)=O ZINC001115265258 792642386 /nfs/dbraw/zinc/64/23/86/792642386.db2.gz GFGBEQHYGNNPHR-CTASWTNQSA-N 1 1 348.403 -1.971 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC001115265259 792642402 /nfs/dbraw/zinc/64/24/02/792642402.db2.gz GFGBEQHYGNNPHR-KNCOVGOOSA-N 1 1 348.403 -1.971 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1COCCN1C(C)=O ZINC001115265259 792642399 /nfs/dbraw/zinc/64/23/99/792642399.db2.gz GFGBEQHYGNNPHR-KNCOVGOOSA-N 1 1 348.403 -1.971 20 30 EAEDMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115267317 792642205 /nfs/dbraw/zinc/64/22/05/792642205.db2.gz CJRQICBUDFGNBS-COMQUAJESA-N 1 1 349.391 -2.080 20 30 EAEDMO CC(=O)N1CCOC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115267317 792642202 /nfs/dbraw/zinc/64/22/02/792642202.db2.gz CJRQICBUDFGNBS-COMQUAJESA-N 1 1 349.391 -2.080 20 30 EAEDMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115267320 792641812 /nfs/dbraw/zinc/64/18/12/792641812.db2.gz CJRQICBUDFGNBS-SFDCQRBFSA-N 1 1 349.391 -2.080 20 30 EAEDMO CC(=O)N1CCOC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115267320 792641803 /nfs/dbraw/zinc/64/18/03/792641803.db2.gz CJRQICBUDFGNBS-SFDCQRBFSA-N 1 1 349.391 -2.080 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(CC)CCO1 ZINC001115269931 792643624 /nfs/dbraw/zinc/64/36/24/792643624.db2.gz PNSMSRJDNQSUQV-CTASWTNQSA-N 1 1 334.420 -1.497 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(CC)CCO1 ZINC001115269931 792643619 /nfs/dbraw/zinc/64/36/19/792643619.db2.gz PNSMSRJDNQSUQV-CTASWTNQSA-N 1 1 334.420 -1.497 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 ZINC001115269932 792643373 /nfs/dbraw/zinc/64/33/73/792643373.db2.gz PNSMSRJDNQSUQV-KNCOVGOOSA-N 1 1 334.420 -1.497 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(CC)CCO1 ZINC001115269932 792643364 /nfs/dbraw/zinc/64/33/64/792643364.db2.gz PNSMSRJDNQSUQV-KNCOVGOOSA-N 1 1 334.420 -1.497 20 30 EAEDMO CC[N@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 ZINC001115270214 792643771 /nfs/dbraw/zinc/64/37/71/792643771.db2.gz VTCCSHSEWGNYGQ-COMQUAJESA-N 1 1 335.408 -1.607 20 30 EAEDMO CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 ZINC001115270214 792643768 /nfs/dbraw/zinc/64/37/68/792643768.db2.gz VTCCSHSEWGNYGQ-COMQUAJESA-N 1 1 335.408 -1.607 20 30 EAEDMO CC[N@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 ZINC001115270215 792643782 /nfs/dbraw/zinc/64/37/82/792643782.db2.gz VTCCSHSEWGNYGQ-SFDCQRBFSA-N 1 1 335.408 -1.607 20 30 EAEDMO CC[N@@H+]1CCO[C@H](C(=O)N[C@@H]2[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 ZINC001115270215 792643779 /nfs/dbraw/zinc/64/37/79/792643779.db2.gz VTCCSHSEWGNYGQ-SFDCQRBFSA-N 1 1 335.408 -1.607 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC001115271211 792643716 /nfs/dbraw/zinc/64/37/16/792643716.db2.gz DLSDSPZZOZJVLN-IMRBUKKESA-N 1 1 341.371 -1.410 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC001115271211 792643712 /nfs/dbraw/zinc/64/37/12/792643712.db2.gz DLSDSPZZOZJVLN-IMRBUKKESA-N 1 1 341.371 -1.410 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC001115271555 792643124 /nfs/dbraw/zinc/64/31/24/792643124.db2.gz KKXMMCPCVPGZDW-PJXYFTJBSA-N 1 1 342.359 -1.520 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1C(N)=O ZINC001115271555 792643118 /nfs/dbraw/zinc/64/31/18/792643118.db2.gz KKXMMCPCVPGZDW-PJXYFTJBSA-N 1 1 342.359 -1.520 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCS(=O)(=O)N(C)C ZINC001115282637 792643427 /nfs/dbraw/zinc/64/34/27/792643427.db2.gz SQVHELMMERJJIW-NHAGDIPZSA-N 1 1 343.449 -1.036 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001115284952 792644051 /nfs/dbraw/zinc/64/40/51/792644051.db2.gz XYRYBLQEUSZUIH-BCUIYNNISA-N 1 1 342.403 -1.364 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001115284952 792644045 /nfs/dbraw/zinc/64/40/45/792644045.db2.gz XYRYBLQEUSZUIH-BCUIYNNISA-N 1 1 342.403 -1.364 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001115284953 792644108 /nfs/dbraw/zinc/64/41/08/792644108.db2.gz XYRYBLQEUSZUIH-FOCJUVANSA-N 1 1 342.403 -1.364 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001115284953 792644099 /nfs/dbraw/zinc/64/40/99/792644099.db2.gz XYRYBLQEUSZUIH-FOCJUVANSA-N 1 1 342.403 -1.364 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001115285128 792645154 /nfs/dbraw/zinc/64/51/54/792645154.db2.gz ZCGZTNQQNBYLHC-FJJYHAOUSA-N 1 1 343.391 -1.473 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCc2nncn2C1 ZINC001115285128 792645148 /nfs/dbraw/zinc/64/51/48/792645148.db2.gz ZCGZTNQQNBYLHC-FJJYHAOUSA-N 1 1 343.391 -1.473 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001115285131 792644950 /nfs/dbraw/zinc/64/49/50/792644950.db2.gz ZCGZTNQQNBYLHC-UUIJZJDISA-N 1 1 343.391 -1.473 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCc2nncn2C1 ZINC001115285131 792644944 /nfs/dbraw/zinc/64/49/44/792644944.db2.gz ZCGZTNQQNBYLHC-UUIJZJDISA-N 1 1 343.391 -1.473 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115292048 792644515 /nfs/dbraw/zinc/64/45/15/792644515.db2.gz JXCMDVIOSBEPJY-PJXYFTJBSA-N 1 1 335.408 -1.510 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115292048 792644508 /nfs/dbraw/zinc/64/45/08/792644508.db2.gz JXCMDVIOSBEPJY-PJXYFTJBSA-N 1 1 335.408 -1.510 20 30 EAEDMO C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115292393 792645456 /nfs/dbraw/zinc/64/54/56/792645456.db2.gz NGBJFYKADKEZKE-VIKVFOODSA-N 1 1 348.407 -1.357 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)Cn1cncn1 ZINC001115292468 792645581 /nfs/dbraw/zinc/64/55/81/792645581.db2.gz ORHZTBPDOUFGFW-VIKVFOODSA-N 1 1 346.391 -1.910 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115293877 792645787 /nfs/dbraw/zinc/64/57/87/792645787.db2.gz DGVGLARYCZCLKL-NDBYEHHHSA-N 1 1 349.435 -1.122 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)NC(=O)NC ZINC001115293880 792646135 /nfs/dbraw/zinc/64/61/35/792646135.db2.gz DGVGLARYCZCLKL-WUHRBBMRSA-N 1 1 349.435 -1.122 20 30 EAEDMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115294038 792645643 /nfs/dbraw/zinc/64/56/43/792645643.db2.gz IHDNMALFGOQKIK-IAZYJMLFSA-N 1 1 336.396 -1.620 20 30 EAEDMO CNC(=O)NC(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115294038 792645630 /nfs/dbraw/zinc/64/56/30/792645630.db2.gz IHDNMALFGOQKIK-IAZYJMLFSA-N 1 1 336.396 -1.620 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115295502 792645486 /nfs/dbraw/zinc/64/54/86/792645486.db2.gz ADKDVWGSLUMCEG-VIKVFOODSA-N 1 1 332.404 -1.302 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115295502 792645480 /nfs/dbraw/zinc/64/54/80/792645480.db2.gz ADKDVWGSLUMCEG-VIKVFOODSA-N 1 1 332.404 -1.302 20 30 EAEDMO COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115295541 792645667 /nfs/dbraw/zinc/64/56/67/792645667.db2.gz AQIZXHITMNFPKE-YABSGUDNSA-N 1 1 332.364 -1.927 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115295982 792646732 /nfs/dbraw/zinc/64/67/32/792646732.db2.gz IPYCAHBPYGWWNS-MSRIBSCDSA-N 1 1 345.363 -2.827 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115295982 792646728 /nfs/dbraw/zinc/64/67/28/792646728.db2.gz IPYCAHBPYGWWNS-MSRIBSCDSA-N 1 1 345.363 -2.827 20 30 EAEDMO C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115296055 792647177 /nfs/dbraw/zinc/64/71/77/792647177.db2.gz KIVDJQRENTURKP-YABSGUDNSA-N 1 1 334.380 -1.374 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115296257 792646939 /nfs/dbraw/zinc/64/69/39/792646939.db2.gz OMJQVFHEJRTWRI-MSRIBSCDSA-N 1 1 347.379 -2.274 20 30 EAEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(CC(N)=O)nn1 ZINC001115296257 792646933 /nfs/dbraw/zinc/64/69/33/792646933.db2.gz OMJQVFHEJRTWRI-MSRIBSCDSA-N 1 1 347.379 -2.274 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115296420 792646811 /nfs/dbraw/zinc/64/68/11/792646811.db2.gz RXGQYBLDQOWVGX-JYAVWHMHSA-N 1 1 333.392 -1.411 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CNC(=O)C1CCC1 ZINC001115296420 792646804 /nfs/dbraw/zinc/64/68/04/792646804.db2.gz RXGQYBLDQOWVGX-JYAVWHMHSA-N 1 1 333.392 -1.411 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001115300391 792648374 /nfs/dbraw/zinc/64/83/74/792648374.db2.gz RAISNGVQBRSKAF-BCUIYNNISA-N 1 1 332.404 -1.349 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC(=O)N(C)C1 ZINC001115300391 792648369 /nfs/dbraw/zinc/64/83/69/792648369.db2.gz RAISNGVQBRSKAF-BCUIYNNISA-N 1 1 332.404 -1.349 20 30 EAEDMO 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N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC001115336332 792649527 /nfs/dbraw/zinc/64/95/27/792649527.db2.gz GXSCOJWHJLYREF-YABSGUDNSA-N 1 1 342.359 -1.520 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC001115337022 792649429 /nfs/dbraw/zinc/64/94/29/792649429.db2.gz OIISJINHQZURPK-JYAVWHMHSA-N 1 1 341.371 -1.410 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)cn1 ZINC001115337022 792649424 /nfs/dbraw/zinc/64/94/24/792649424.db2.gz OIISJINHQZURPK-JYAVWHMHSA-N 1 1 341.371 -1.410 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115342106 792650209 /nfs/dbraw/zinc/65/02/09/792650209.db2.gz QYKIOABHAITKAA-JYAVWHMHSA-N 1 1 346.391 -1.059 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC001115342106 792650199 /nfs/dbraw/zinc/65/01/99/792650199.db2.gz QYKIOABHAITKAA-JYAVWHMHSA-N 1 1 346.391 -1.059 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC001115342262 792650957 /nfs/dbraw/zinc/65/09/57/792650957.db2.gz UIAZCCCDOAYKET-JYAVWHMHSA-N 1 1 341.371 -1.410 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC001115342262 792650955 /nfs/dbraw/zinc/65/09/55/792650955.db2.gz UIAZCCCDOAYKET-JYAVWHMHSA-N 1 1 341.371 -1.410 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC001115344478 792650849 /nfs/dbraw/zinc/65/08/49/792650849.db2.gz WWLUKPFOSKIHMI-YABSGUDNSA-N 1 1 342.359 -1.520 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C(N)=O)nc1 ZINC001115344478 792650844 /nfs/dbraw/zinc/65/08/44/792650844.db2.gz WWLUKPFOSKIHMI-YABSGUDNSA-N 1 1 342.359 -1.520 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115345697 792650925 /nfs/dbraw/zinc/65/09/25/792650925.db2.gz KIUBJGVIPJSLFW-SRRSOLGSSA-N 1 1 334.380 -1.784 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115345697 792650921 /nfs/dbraw/zinc/65/09/21/792650921.db2.gz KIUBJGVIPJSLFW-SRRSOLGSSA-N 1 1 334.380 -1.784 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115345716 792650603 /nfs/dbraw/zinc/65/06/03/792650603.db2.gz KWJCALAZDOYFLZ-KZVDOYCCSA-N 1 1 333.392 -1.675 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115345716 792650597 /nfs/dbraw/zinc/65/05/97/792650597.db2.gz KWJCALAZDOYFLZ-KZVDOYCCSA-N 1 1 333.392 -1.675 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115346160 792650351 /nfs/dbraw/zinc/65/03/51/792650351.db2.gz SIKBWEVULUZVAJ-KZVDOYCCSA-N 1 1 335.408 -1.122 20 30 EAEDMO C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCN1C(N)=O ZINC001115346160 792650345 /nfs/dbraw/zinc/65/03/45/792650345.db2.gz SIKBWEVULUZVAJ-KZVDOYCCSA-N 1 1 335.408 -1.122 20 30 EAEDMO 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CWULDWJDVYUTTH-CHWSQXEVSA-N 1 1 348.407 -1.232 20 30 EAEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@H](CO)Nc2ccnc(C#N)n2)C1 ZINC001122416084 792911890 /nfs/dbraw/zinc/91/18/90/792911890.db2.gz CWULDWJDVYUTTH-OLZOCXBDSA-N 1 1 348.407 -1.232 20 30 EAEDMO CC(C)[N@H+]1CCO[C@@H](C(=O)NC[C@@H](CO)Nc2ccnc(C#N)n2)C1 ZINC001122416086 792912203 /nfs/dbraw/zinc/91/22/03/792912203.db2.gz CWULDWJDVYUTTH-QWHCGFSZSA-N 1 1 348.407 -1.232 20 30 EAEDMO CC(C)[N@H+]1CCO[C@H](C(=O)NC[C@@H](CO)Nc2ccnc(C#N)n2)C1 ZINC001122416088 792911927 /nfs/dbraw/zinc/91/19/27/792911927.db2.gz CWULDWJDVYUTTH-STQMWFEESA-N 1 1 348.407 -1.232 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(C#N)n1 ZINC001122769386 792933668 /nfs/dbraw/zinc/93/36/68/792933668.db2.gz IWJLEDNEAKGRFL-OLZOCXBDSA-N 1 1 328.376 -1.243 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)Nc1ccnc(C#N)n1 ZINC001122769386 792933661 /nfs/dbraw/zinc/93/36/61/792933661.db2.gz IWJLEDNEAKGRFL-OLZOCXBDSA-N 1 1 328.376 -1.243 20 30 EAEDMO 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334.380 -1.044 20 30 EAEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H](CO)Nc2nccnc2C#N)O1 ZINC001122834484 792937315 /nfs/dbraw/zinc/93/73/15/792937315.db2.gz AGCKHDGGWVBRFB-NTZNESFSSA-N 1 1 334.380 -1.044 20 30 EAEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)O1 ZINC001122834982 792938390 /nfs/dbraw/zinc/93/83/90/792938390.db2.gz FWCXKJQZOCBLCV-KGYLQXTDSA-N 1 1 334.380 -1.044 20 30 EAEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@@H](CO)Nc2cncc(C#N)n2)O1 ZINC001122834982 792938385 /nfs/dbraw/zinc/93/83/85/792938385.db2.gz FWCXKJQZOCBLCV-KGYLQXTDSA-N 1 1 334.380 -1.044 20 30 EAEDMO C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)O1 ZINC001122834985 792937995 /nfs/dbraw/zinc/93/79/95/792937995.db2.gz FWCXKJQZOCBLCV-RAIGVLPGSA-N 1 1 334.380 -1.044 20 30 EAEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)NC[C@H](CO)Nc2cncc(C#N)n2)O1 ZINC001122834985 792937990 /nfs/dbraw/zinc/93/79/90/792937990.db2.gz FWCXKJQZOCBLCV-RAIGVLPGSA-N 1 1 334.380 -1.044 20 30 EAEDMO 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EAEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129199091 786259870 /nfs/dbraw/zinc/25/98/70/786259870.db2.gz DBSNBVNMTHDVJV-XQQFMLRXSA-N 1 1 349.395 -1.496 20 30 EAEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CNC(=O)N2)[C@@H](n2ccnn2)C1 ZINC001129199091 786259867 /nfs/dbraw/zinc/25/98/67/786259867.db2.gz DBSNBVNMTHDVJV-XQQFMLRXSA-N 1 1 349.395 -1.496 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129219920 786260930 /nfs/dbraw/zinc/26/09/30/786260930.db2.gz OFUAVIUEKXNTIT-NEPJUHHUSA-N 1 1 342.425 -1.126 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)CCCS(N)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129219920 786260926 /nfs/dbraw/zinc/26/09/26/786260926.db2.gz OFUAVIUEKXNTIT-NEPJUHHUSA-N 1 1 342.425 -1.126 20 30 EAEDMO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[C@H]2C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129271734 786263230 /nfs/dbraw/zinc/26/32/30/786263230.db2.gz LMPKUYMNTOCNCD-RQJABVFESA-N 1 1 348.407 -1.056 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129284823 786283705 /nfs/dbraw/zinc/28/37/05/786283705.db2.gz ZIKZRQQDCYDYIF-TUAOUCFPSA-N 1 1 342.425 -1.257 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129284823 786283699 /nfs/dbraw/zinc/28/36/99/786283699.db2.gz ZIKZRQQDCYDYIF-TUAOUCFPSA-N 1 1 342.425 -1.257 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129284824 786283733 /nfs/dbraw/zinc/28/37/33/786283733.db2.gz ZIKZRQQDCYDYIF-UTUOFQBUSA-N 1 1 342.425 -1.257 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@@H](n2ccnn2)C1 ZINC001129284824 786283728 /nfs/dbraw/zinc/28/37/28/786283728.db2.gz ZIKZRQQDCYDYIF-UTUOFQBUSA-N 1 1 342.425 -1.257 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129307991 786285527 /nfs/dbraw/zinc/28/55/27/786285527.db2.gz WOIKRNUVPHIBTA-XQQFMLRXSA-N 1 1 349.395 -1.814 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@@H](n2ccnn2)C1 ZINC001129307991 786285522 /nfs/dbraw/zinc/28/55/22/786285522.db2.gz WOIKRNUVPHIBTA-XQQFMLRXSA-N 1 1 349.395 -1.814 20 30 EAEDMO C#CCN1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129320804 786440147 /nfs/dbraw/zinc/44/01/47/786440147.db2.gz BVVQQSMQHDFHFE-CABCVRRESA-N 1 1 332.408 -1.025 20 30 EAEDMO N#CCN1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](n2ccnn2)C1 ZINC001129322369 786439769 /nfs/dbraw/zinc/43/97/69/786439769.db2.gz UOFTXNAMYJTAHO-KGLIPLIRSA-N 1 1 333.396 -1.135 20 30 EAEDMO C#CCC[N@@H+]1C[C@@H](NC(=O)CCn2cnnn2)[C@@H](n2ccnn2)C1 ZINC001129342517 786534394 /nfs/dbraw/zinc/53/43/94/786534394.db2.gz PDUPWUUOLRMNJT-OLZOCXBDSA-N 1 1 329.368 -1.280 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422792 786839986 /nfs/dbraw/zinc/83/99/86/786839986.db2.gz XHCOKHBXUVYVAJ-TUAOUCFPSA-N 1 1 347.379 -1.206 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422792 786839970 /nfs/dbraw/zinc/83/99/70/786839970.db2.gz XHCOKHBXUVYVAJ-TUAOUCFPSA-N 1 1 347.379 -1.206 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422795 786841225 /nfs/dbraw/zinc/84/12/25/786841225.db2.gz XHCOKHBXUVYVAJ-UTUOFQBUSA-N 1 1 347.379 -1.206 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2NC(=O)NC2=O)[C@@H](n2ccnn2)C1 ZINC001129422795 786841216 /nfs/dbraw/zinc/84/12/16/786841216.db2.gz XHCOKHBXUVYVAJ-UTUOFQBUSA-N 1 1 347.379 -1.206 20 30 EAEDMO C=C(C)C[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129438061 786841324 /nfs/dbraw/zinc/84/13/24/786841324.db2.gz MSJHERVEVCLLLZ-NEPJUHHUSA-N 1 1 342.425 -1.255 20 30 EAEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129438061 786841318 /nfs/dbraw/zinc/84/13/18/786841318.db2.gz MSJHERVEVCLLLZ-NEPJUHHUSA-N 1 1 342.425 -1.255 20 30 EAEDMO C=CCC[N@@H+]1C[C@@H](NC(=O)CS(=O)(=O)NC)[C@@H](n2ccnn2)C1 ZINC001129445301 786840009 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WORVGHBXNZEBJD-OLZOCXBDSA-N 1 1 342.363 -1.594 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNCc1nc(CC(=O)NC)no1 ZINC001129790839 786870928 /nfs/dbraw/zinc/87/09/28/786870928.db2.gz KCUNEMFJXQVSLE-LBPRGKRZSA-N 1 1 348.407 -1.339 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NCCNCc1nc(CC(=O)NC)no1 ZINC001129790839 786870916 /nfs/dbraw/zinc/87/09/16/786870916.db2.gz KCUNEMFJXQVSLE-LBPRGKRZSA-N 1 1 348.407 -1.339 20 30 EAEDMO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988104 786896359 /nfs/dbraw/zinc/89/63/59/786896359.db2.gz IPVBSNXVOXBXQB-AXFHLTTASA-N 1 1 335.368 -2.204 20 30 EAEDMO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988105 786895734 /nfs/dbraw/zinc/89/57/34/786895734.db2.gz IPVBSNXVOXBXQB-MXWKQRLJSA-N 1 1 335.368 -2.204 20 30 EAEDMO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988197 786895755 /nfs/dbraw/zinc/89/57/55/786895755.db2.gz KJMKSICUZHJPLS-AXFHLTTASA-N 1 1 333.352 -2.757 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C(N)=O)C[C@@H]1n1ccnn1 ZINC001129988206 786896684 /nfs/dbraw/zinc/89/66/84/786896684.db2.gz KJMKSICUZHJPLS-MXWKQRLJSA-N 1 1 333.352 -2.757 20 30 EAEDMO C=CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992030 786896610 /nfs/dbraw/zinc/89/66/10/786896610.db2.gz IQLOWDKIYOWPFP-KGLIPLIRSA-N 1 1 349.439 -1.127 20 30 EAEDMO C[NH+](C)CCC(=O)N1C[C@@H](NCC(=O)NCC#N)[C@@H](n2ccnn2)C1 ZINC001129992150 786898086 /nfs/dbraw/zinc/89/80/86/786898086.db2.gz NLNPQTCXYKTILA-OLZOCXBDSA-N 1 1 348.411 -1.789 20 30 EAEDMO C#CCNC(=O)CN[C@@H]1CN(C(=O)CC[NH+](C)C)C[C@@H]1n1ccnn1 ZINC001129992218 786899046 /nfs/dbraw/zinc/89/90/46/786899046.db2.gz SKIDBPMLGWOXSH-KGLIPLIRSA-N 1 1 347.423 -1.679 20 30 EAEDMO C#CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(C)=O)[nH]1 ZINC001130173617 786912989 /nfs/dbraw/zinc/91/29/89/786912989.db2.gz WCSVKYAIDFYHLP-RYUDHWBXSA-N 1 1 334.380 -1.348 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(C)=O)[nH]1 ZINC001130177464 786913923 /nfs/dbraw/zinc/91/39/23/786913923.db2.gz BGVGTSUXPXQWLA-RYUDHWBXSA-N 1 1 334.380 -1.348 20 30 EAEDMO CCC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC#N)[nH]1 ZINC001130177571 786914558 /nfs/dbraw/zinc/91/45/58/786914558.db2.gz IJVNIKSKRUDKAL-QWRGUYRKSA-N 1 1 349.395 -1.067 20 30 EAEDMO CC(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(=O)NCC#N)[nH]1 ZINC001130177642 786913570 /nfs/dbraw/zinc/91/35/70/786913570.db2.gz MNGBQRUGULHUOZ-QWRGUYRKSA-N 1 1 335.368 -1.457 20 30 EAEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(N)=O)[nH]1 ZINC001130183004 786916937 /nfs/dbraw/zinc/91/69/37/786916937.db2.gz KPNXOOZGUBNSRY-QWRGUYRKSA-N 1 1 349.395 -1.425 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(N)=O)[nH]1 ZINC001130183081 786917165 /nfs/dbraw/zinc/91/71/65/786917165.db2.gz OSQZWGIYABQBQC-UWVGGRQHSA-N 1 1 335.368 -1.816 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183160 786915473 /nfs/dbraw/zinc/91/54/73/786915473.db2.gz SRXBDPSBKYXYJP-UWVGGRQHSA-N 1 1 337.384 -1.263 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(N)=O)n1 ZINC001130183160 786915469 /nfs/dbraw/zinc/91/54/69/786915469.db2.gz SRXBDPSBKYXYJP-UWVGGRQHSA-N 1 1 337.384 -1.263 20 30 EAEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CNC(N)=O)n[nH]1 ZINC001130183179 786915128 /nfs/dbraw/zinc/91/51/28/786915128.db2.gz UPBAWWYNLADCKB-QWRGUYRKSA-N 1 1 349.395 -1.425 20 30 EAEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CNC(N)=O)n1 ZINC001130183179 786915123 /nfs/dbraw/zinc/91/51/23/786915123.db2.gz UPBAWWYNLADCKB-QWRGUYRKSA-N 1 1 349.395 -1.425 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2COCCO2)[nH]1 ZINC001130184889 786915404 /nfs/dbraw/zinc/91/54/04/786915404.db2.gz LOPBHWRSEJRNQS-AVGNSLFASA-N 1 1 349.391 -1.068 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2COCCO2)[nH]1 ZINC001130184890 786916589 /nfs/dbraw/zinc/91/65/89/786916589.db2.gz LOPBHWRSEJRNQS-RWMBFGLXSA-N 1 1 349.391 -1.068 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cnnn2)[nH]1 ZINC001130187774 786915225 /nfs/dbraw/zinc/91/52/25/786915225.db2.gz ISOHZKUHOVYMEQ-QWRGUYRKSA-N 1 1 345.367 -1.797 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2cnnn2)n[nH]1 ZINC001130188040 786915038 /nfs/dbraw/zinc/91/50/38/786915038.db2.gz WGONRKFMSJIDCD-QWRGUYRKSA-N 1 1 347.383 -1.244 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2cnnn2)n1 ZINC001130188040 786915027 /nfs/dbraw/zinc/91/50/27/786915027.db2.gz WGONRKFMSJIDCD-QWRGUYRKSA-N 1 1 347.383 -1.244 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CN(C)C(C)=O)[nH]1 ZINC001130190935 786916222 /nfs/dbraw/zinc/91/62/22/786916222.db2.gz VMVJLPJVYKUBPA-STQMWFEESA-N 1 1 348.407 -1.006 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCC(=O)N2)[nH]1 ZINC001130196122 786915832 /nfs/dbraw/zinc/91/58/32/786915832.db2.gz STDHZRFGGFDGTE-TUAOUCFPSA-N 1 1 346.391 -1.205 20 30 EAEDMO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(N)=O)[nH]1 ZINC001130198353 786916908 /nfs/dbraw/zinc/91/69/08/786916908.db2.gz HLDHIKZQNAHFPM-QWRGUYRKSA-N 1 1 334.380 -1.218 20 30 EAEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC(N)=O)n[nH]1 ZINC001130198644 786915513 /nfs/dbraw/zinc/91/55/13/786915513.db2.gz SKCXIBVMGZHVBK-QWRGUYRKSA-N 1 1 334.380 -1.218 20 30 EAEDMO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)CC(N)=O)n1 ZINC001130198644 786915509 /nfs/dbraw/zinc/91/55/09/786915509.db2.gz SKCXIBVMGZHVBK-QWRGUYRKSA-N 1 1 334.380 -1.218 20 30 EAEDMO C[C@@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130202634 786918832 /nfs/dbraw/zinc/91/88/32/786918832.db2.gz FWMIDQUCAUUQIB-GUBZILKMSA-N 1 1 335.368 -1.472 20 30 EAEDMO C[C@H](C#N)C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CC(N)=O)[nH]1 ZINC001130202636 786918218 /nfs/dbraw/zinc/91/82/18/786918218.db2.gz FWMIDQUCAUUQIB-UTLUCORTSA-N 1 1 335.368 -1.472 20 30 EAEDMO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H](C)C#N)[nH]1 ZINC001130203351 786916450 /nfs/dbraw/zinc/91/64/50/786916450.db2.gz ZKRZDPLPQPSCKN-DCAQKATOSA-N 1 1 349.395 -1.211 20 30 EAEDMO CNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)C#N)[nH]1 ZINC001130203358 786915359 /nfs/dbraw/zinc/91/53/59/786915359.db2.gz ZKRZDPLPQPSCKN-VWYCJHECSA-N 1 1 349.395 -1.211 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H](C)NC(N)=O)[nH]1 ZINC001130204633 786915482 /nfs/dbraw/zinc/91/54/82/786915482.db2.gz AJBBDZAIVIWJFM-DCAQKATOSA-N 1 1 349.395 -1.427 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(=O)NC)[nH]1 ZINC001130205202 786915422 /nfs/dbraw/zinc/91/54/22/786915422.db2.gz UOLVCOSORBIHMJ-QWRGUYRKSA-N 1 1 334.380 -1.348 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2COC(=O)N2)[nH]1 ZINC001130207749 786918781 /nfs/dbraw/zinc/91/87/81/786918781.db2.gz NXGGYWIPWHJHRK-AXFHLTTASA-N 1 1 348.363 -1.375 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2COC(=O)N2)[nH]1 ZINC001130207750 786918579 /nfs/dbraw/zinc/91/85/79/786918579.db2.gz NXGGYWIPWHJHRK-DCAQKATOSA-N 1 1 348.363 -1.375 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2cnnn2C)n[nH]1 ZINC001130207886 786918348 /nfs/dbraw/zinc/91/83/48/786918348.db2.gz UQSHFWITDRPRFR-JQWIXIFHSA-N 1 1 344.379 -1.042 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnnn2C)[nH]1 ZINC001130207886 786918343 /nfs/dbraw/zinc/91/83/43/786918343.db2.gz UQSHFWITDRPRFR-JQWIXIFHSA-N 1 1 344.379 -1.042 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2ncnn2)[nH]1 ZINC001130209488 786919092 /nfs/dbraw/zinc/91/90/92/786919092.db2.gz CNRJDCZUHMOMCJ-QWRGUYRKSA-N 1 1 345.367 -1.797 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2ncn(C)n2)[nH]1 ZINC001130209525 786918961 /nfs/dbraw/zinc/91/89/61/786918961.db2.gz FMFMIHFUOIVBSJ-QWRGUYRKSA-N 1 1 344.379 -1.042 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cn(C)nn2)[nH]1 ZINC001130209623 786918380 /nfs/dbraw/zinc/91/83/80/786918380.db2.gz HRKXFTDHJGELQI-JQWIXIFHSA-N 1 1 344.379 -1.042 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)Cn2ncnn2)n[nH]1 ZINC001130210207 786919288 /nfs/dbraw/zinc/91/92/88/786919288.db2.gz ZIZDJKADFKQNOC-QWRGUYRKSA-N 1 1 347.383 -1.244 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)Cn2ncnn2)n1 ZINC001130210207 786919282 /nfs/dbraw/zinc/91/92/82/786919282.db2.gz ZIZDJKADFKQNOC-QWRGUYRKSA-N 1 1 347.383 -1.244 20 30 EAEDMO NC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C#CC2CC2)[nH]1 ZINC001130212790 786918172 /nfs/dbraw/zinc/91/81/72/786918172.db2.gz DBRQANZPGUCLTC-RYUDHWBXSA-N 1 1 346.391 -1.218 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2nccn2)[nH]1 ZINC001130215929 786918469 /nfs/dbraw/zinc/91/84/69/786918469.db2.gz IIHQLVATUDXQQA-RYUDHWBXSA-N 1 1 344.379 -1.192 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CNC(=O)NC)[nH]1 ZINC001130221058 786920172 /nfs/dbraw/zinc/92/01/72/786920172.db2.gz RHGWMZIOBWKQEY-QWRGUYRKSA-N 1 1 349.395 -1.555 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCNC2=O)[nH]1 ZINC001130224916 786921592 /nfs/dbraw/zinc/92/15/92/786921592.db2.gz IPGMJMSXPQHNJS-SRVKXCTJSA-N 1 1 346.391 -1.348 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCNC2=O)[nH]1 ZINC001130224917 786921520 /nfs/dbraw/zinc/92/15/20/786921520.db2.gz IPGMJMSXPQHNJS-TUAOUCFPSA-N 1 1 346.391 -1.348 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2nnn(C)n2)[nH]1 ZINC001130227591 786921503 /nfs/dbraw/zinc/92/15/03/786921503.db2.gz FNQAUHWCNLMUGE-UWVGGRQHSA-N 1 1 345.367 -1.647 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)c2nnn(C)n2)n[nH]1 ZINC001130227835 786919741 /nfs/dbraw/zinc/91/97/41/786919741.db2.gz RIWUFBJDGLYKDY-UWVGGRQHSA-N 1 1 347.383 -1.094 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)c2nnn(C)n2)n1 ZINC001130227835 786919739 /nfs/dbraw/zinc/91/97/39/786919739.db2.gz RIWUFBJDGLYKDY-UWVGGRQHSA-N 1 1 347.383 -1.094 20 30 EAEDMO CC(C)(CN1CCOCC1)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130230844 786921640 /nfs/dbraw/zinc/92/16/40/786921640.db2.gz XTZRMFPZACPBDX-UHFFFAOYSA-N 1 1 325.413 -1.310 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2C[C@H]2C(N)=O)[nH]1 ZINC001130235148 786920210 /nfs/dbraw/zinc/92/02/10/786920210.db2.gz VLAUHUPTVUPYOS-USZNOCQGSA-N 1 1 346.391 -1.362 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CNC(=O)N2)[nH]1 ZINC001130238034 786921354 /nfs/dbraw/zinc/92/13/54/786921354.db2.gz PXPGPEXUQQYOMA-AXFHLTTASA-N 1 1 347.379 -1.802 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CNC(=O)N2)[nH]1 ZINC001130238035 786921120 /nfs/dbraw/zinc/92/11/20/786921120.db2.gz PXPGPEXUQQYOMA-DCAQKATOSA-N 1 1 347.379 -1.802 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H]2CNC(=O)N2)n[nH]1 ZINC001130238094 786920671 /nfs/dbraw/zinc/92/06/71/786920671.db2.gz SYCMAXLCPXWBBG-AXFHLTTASA-N 1 1 349.395 -1.250 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@H]2CNC(=O)N2)n1 ZINC001130238094 786920666 /nfs/dbraw/zinc/92/06/66/786920666.db2.gz SYCMAXLCPXWBBG-AXFHLTTASA-N 1 1 349.395 -1.250 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@@H]2CNC(=O)N2)n[nH]1 ZINC001130238095 786920609 /nfs/dbraw/zinc/92/06/09/786920609.db2.gz SYCMAXLCPXWBBG-DCAQKATOSA-N 1 1 349.395 -1.250 20 30 EAEDMO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CNC(=O)N2)n1 ZINC001130238095 786920603 /nfs/dbraw/zinc/92/06/03/786920603.db2.gz SYCMAXLCPXWBBG-DCAQKATOSA-N 1 1 349.395 -1.250 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)C2(C(N)=O)CC2)[nH]1 ZINC001130240535 786921464 /nfs/dbraw/zinc/92/14/64/786921464.db2.gz TUHZSJKXLVGGMG-QWRGUYRKSA-N 1 1 346.391 -1.218 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CC(=O)N(C)C)[nH]1 ZINC001130242127 786923766 /nfs/dbraw/zinc/92/37/66/786923766.db2.gz HLIMMZWXXQSUHH-RYUDHWBXSA-N 1 1 348.407 -1.006 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)c2cnn(C)n2)[nH]1 ZINC001130246789 786922211 /nfs/dbraw/zinc/92/22/11/786922211.db2.gz PUOXGOTXYHPENK-JQWIXIFHSA-N 1 1 344.379 -1.042 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCC(=O)N2)[nH]1 ZINC001130247073 786923120 /nfs/dbraw/zinc/92/31/20/786923120.db2.gz STDHZRFGGFDGTE-SRVKXCTJSA-N 1 1 346.391 -1.205 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)CCNC(N)=O)[nH]1 ZINC001130249117 786922633 /nfs/dbraw/zinc/92/26/33/786922633.db2.gz KMRAIYDWHGREJN-QWRGUYRKSA-N 1 1 349.395 -1.425 20 30 EAEDMO C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)Cn2cncn2)[nH]1 ZINC001130249272 786923430 /nfs/dbraw/zinc/92/34/30/786923430.db2.gz UYGGBIUGCTVQDU-RYUDHWBXSA-N 1 1 344.379 -1.192 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130369070 786936717 /nfs/dbraw/zinc/93/67/17/786936717.db2.gz WUNPHOLRHQBMQJ-LLVKDONJSA-N 1 1 348.407 -1.007 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130369070 786936712 /nfs/dbraw/zinc/93/67/12/786936712.db2.gz WUNPHOLRHQBMQJ-LLVKDONJSA-N 1 1 348.407 -1.007 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130369073 786936548 /nfs/dbraw/zinc/93/65/48/786936548.db2.gz WUNPHOLRHQBMQJ-NSHDSACASA-N 1 1 348.407 -1.007 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130369073 786936543 /nfs/dbraw/zinc/93/65/43/786936543.db2.gz WUNPHOLRHQBMQJ-NSHDSACASA-N 1 1 348.407 -1.007 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130376283 786935231 /nfs/dbraw/zinc/93/52/31/786935231.db2.gz JQFAAHXMOFQYHG-JTQLQIEISA-N 1 1 347.379 -1.670 20 30 EAEDMO N#CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130376283 786935226 /nfs/dbraw/zinc/93/52/26/786935226.db2.gz JQFAAHXMOFQYHG-JTQLQIEISA-N 1 1 347.379 -1.670 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130376284 786934636 /nfs/dbraw/zinc/93/46/36/786934636.db2.gz JQFAAHXMOFQYHG-SNVBAGLBSA-N 1 1 347.379 -1.670 20 30 EAEDMO N#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130376284 786934626 /nfs/dbraw/zinc/93/46/26/786934626.db2.gz JQFAAHXMOFQYHG-SNVBAGLBSA-N 1 1 347.379 -1.670 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377412 786935479 /nfs/dbraw/zinc/93/54/79/786935479.db2.gz XCVKYQWSOCBECT-LLVKDONJSA-N 1 1 346.391 -1.560 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377412 786935473 /nfs/dbraw/zinc/93/54/73/786935473.db2.gz XCVKYQWSOCBECT-LLVKDONJSA-N 1 1 346.391 -1.560 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377413 786934547 /nfs/dbraw/zinc/93/45/47/786934547.db2.gz XCVKYQWSOCBECT-NSHDSACASA-N 1 1 346.391 -1.560 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)CC(N)=O)C1 ZINC001130377413 786934539 /nfs/dbraw/zinc/93/45/39/786934539.db2.gz XCVKYQWSOCBECT-NSHDSACASA-N 1 1 346.391 -1.560 20 30 EAEDMO C#CCNC(=O)CC(=O)NCc1c[nH]nc1[C@@H]1CC[N@H+](CC(N)=O)C1 ZINC001130383955 786939972 /nfs/dbraw/zinc/93/99/72/786939972.db2.gz RCIJIBXDGXEZLN-LLVKDONJSA-N 1 1 346.391 -1.560 20 30 EAEDMO 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/nfs/dbraw/zinc/03/58/15/787035815.db2.gz FKKSPEMRWLYXPZ-STQMWFEESA-N 1 1 326.397 -1.196 20 30 EAEDMO C=CCOCC(=O)N1CCC(=O)NCC[N@H+](C[C@H](O)COC)CC1 ZINC001131339732 787036976 /nfs/dbraw/zinc/03/69/76/787036976.db2.gz OCAFZMJSPFALMQ-AWEZNQCLSA-N 1 1 343.424 -1.153 20 30 EAEDMO C=CCOCC(=O)N1CCC(=O)NCC[N@@H+](C[C@H](O)COC)CC1 ZINC001131339732 787036971 /nfs/dbraw/zinc/03/69/71/787036971.db2.gz OCAFZMJSPFALMQ-AWEZNQCLSA-N 1 1 343.424 -1.153 20 30 EAEDMO C=CCOCC(=O)N1CCC(=O)NCC[N@H+](C[C@@H](O)COC)CC1 ZINC001131339733 787036568 /nfs/dbraw/zinc/03/65/68/787036568.db2.gz OCAFZMJSPFALMQ-CQSZACIVSA-N 1 1 343.424 -1.153 20 30 EAEDMO C=CCOCC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](O)COC)CC1 ZINC001131339733 787036562 /nfs/dbraw/zinc/03/65/62/787036562.db2.gz OCAFZMJSPFALMQ-CQSZACIVSA-N 1 1 343.424 -1.153 20 30 EAEDMO C=CCOCC[N@H+]1CCNC(=O)CCN(C(=O)CC(=O)NC)CC1 ZINC001131351263 787040499 /nfs/dbraw/zinc/04/04/99/787040499.db2.gz GKAUIRULIQPURR-UHFFFAOYSA-N 1 1 340.424 -1.024 20 30 EAEDMO C=CCOCC[N@@H+]1CCNC(=O)CCN(C(=O)CC(=O)NC)CC1 ZINC001131351263 787040489 /nfs/dbraw/zinc/04/04/89/787040489.db2.gz GKAUIRULIQPURR-UHFFFAOYSA-N 1 1 340.424 -1.024 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](C[C@@H](C)O)CC1 ZINC001131354010 787041888 /nfs/dbraw/zinc/04/18/88/787041888.db2.gz MNXBQUKAUWRXRZ-CYBMUJFWSA-N 1 1 338.408 -1.843 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](C[C@@H](C)O)CC1 ZINC001131354010 787041879 /nfs/dbraw/zinc/04/18/79/787041879.db2.gz MNXBQUKAUWRXRZ-CYBMUJFWSA-N 1 1 338.408 -1.843 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](C[C@H](C)O)CC1 ZINC001131354011 787043382 /nfs/dbraw/zinc/04/33/82/787043382.db2.gz MNXBQUKAUWRXRZ-ZDUSSCGKSA-N 1 1 338.408 -1.843 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](C[C@H](C)O)CC1 ZINC001131354011 787043371 /nfs/dbraw/zinc/04/33/71/787043371.db2.gz MNXBQUKAUWRXRZ-ZDUSSCGKSA-N 1 1 338.408 -1.843 20 30 EAEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC(=O)NCC#C)CC1 ZINC001131354180 787041602 /nfs/dbraw/zinc/04/16/02/787041602.db2.gz TWLZXSGTOHUZTC-UHFFFAOYSA-N 1 1 332.404 -1.200 20 30 EAEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC(=O)NCC#C)CC1 ZINC001131354180 787041596 /nfs/dbraw/zinc/04/15/96/787041596.db2.gz TWLZXSGTOHUZTC-UHFFFAOYSA-N 1 1 332.404 -1.200 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCOC)CC1 ZINC001131354273 787042219 /nfs/dbraw/zinc/04/22/19/787042219.db2.gz XJGIQKJSANQUMN-UHFFFAOYSA-N 1 1 338.408 -1.577 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCOC)CC1 ZINC001131354273 787042213 /nfs/dbraw/zinc/04/22/13/787042213.db2.gz XJGIQKJSANQUMN-UHFFFAOYSA-N 1 1 338.408 -1.577 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@H+](CCCO)CC1 ZINC001131357171 787037946 /nfs/dbraw/zinc/03/79/46/787037946.db2.gz JZBQQKKOPCFBPN-UHFFFAOYSA-N 1 1 338.408 -1.841 20 30 EAEDMO C#CCNC(=O)CC(=O)N1CCC(=O)NCC[N@@H+](CCCO)CC1 ZINC001131357171 787037941 /nfs/dbraw/zinc/03/79/41/787037941.db2.gz JZBQQKKOPCFBPN-UHFFFAOYSA-N 1 1 338.408 -1.841 20 30 EAEDMO C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CCNC(=O)NC)CC1 ZINC001131360154 787042539 /nfs/dbraw/zinc/04/25/39/787042539.db2.gz KHDPZDQRVGHMIE-UHFFFAOYSA-N 1 1 337.424 -1.021 20 30 EAEDMO C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CCNC(=O)NC)CC1 ZINC001131360154 787042528 /nfs/dbraw/zinc/04/25/28/787042528.db2.gz KHDPZDQRVGHMIE-UHFFFAOYSA-N 1 1 337.424 -1.021 20 30 EAEDMO C=CCC[N@H+]1CCNC(=O)CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001131396762 787053250 /nfs/dbraw/zinc/05/32/50/787053250.db2.gz BGCLXURNNBGCDV-UHFFFAOYSA-N 1 1 346.453 -1.238 20 30 EAEDMO C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)CS(=O)(=O)NC)CC1 ZINC001131396762 787053239 /nfs/dbraw/zinc/05/32/39/787053239.db2.gz BGCLXURNNBGCDV-UHFFFAOYSA-N 1 1 346.453 -1.238 20 30 EAEDMO COCC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131633682 787065879 /nfs/dbraw/zinc/06/58/79/787065879.db2.gz RALMKMHJGCBURI-BBRMVZONSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131633682 787065872 /nfs/dbraw/zinc/06/58/72/787065872.db2.gz RALMKMHJGCBURI-BBRMVZONSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131633686 787066250 /nfs/dbraw/zinc/06/62/50/787066250.db2.gz RALMKMHJGCBURI-CJNGLKHVSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131633686 787066243 /nfs/dbraw/zinc/06/62/43/787066243.db2.gz RALMKMHJGCBURI-CJNGLKHVSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131633688 787066456 /nfs/dbraw/zinc/06/64/56/787066456.db2.gz RALMKMHJGCBURI-CZUORRHYSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@@H](C)O2 ZINC001131633688 787066447 /nfs/dbraw/zinc/06/64/47/787066447.db2.gz RALMKMHJGCBURI-CZUORRHYSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131633690 787066157 /nfs/dbraw/zinc/06/61/57/787066157.db2.gz RALMKMHJGCBURI-XJKSGUPXSA-N 1 1 338.408 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CNC(N)=O)C[C@H](C)O2 ZINC001131633690 787066145 /nfs/dbraw/zinc/06/61/45/787066145.db2.gz RALMKMHJGCBURI-XJKSGUPXSA-N 1 1 338.408 -1.004 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131642983 787068181 /nfs/dbraw/zinc/06/81/81/787068181.db2.gz YKTRIDLKFOJASR-BLLLJJGKSA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131642983 787068170 /nfs/dbraw/zinc/06/81/70/787068170.db2.gz YKTRIDLKFOJASR-BLLLJJGKSA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131642985 787068662 /nfs/dbraw/zinc/06/86/62/787068662.db2.gz YKTRIDLKFOJASR-LRDDRELGSA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131642985 787068652 /nfs/dbraw/zinc/06/86/52/787068652.db2.gz YKTRIDLKFOJASR-LRDDRELGSA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131642986 787069647 /nfs/dbraw/zinc/06/96/47/787069647.db2.gz YKTRIDLKFOJASR-MLGOLLRUSA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131642986 787069635 /nfs/dbraw/zinc/06/96/35/787069635.db2.gz YKTRIDLKFOJASR-MLGOLLRUSA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131642988 787069077 /nfs/dbraw/zinc/06/90/77/787069077.db2.gz YKTRIDLKFOJASR-WBMJQRKESA-N 1 1 336.392 -1.697 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131642988 787069069 /nfs/dbraw/zinc/06/90/69/787069069.db2.gz YKTRIDLKFOJASR-WBMJQRKESA-N 1 1 336.392 -1.697 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131645795 787068557 /nfs/dbraw/zinc/06/85/57/787068557.db2.gz LIHIOOIYURFSLK-BLLLJJGKSA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131645795 787068546 /nfs/dbraw/zinc/06/85/46/787068546.db2.gz LIHIOOIYURFSLK-BLLLJJGKSA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131645796 787068852 /nfs/dbraw/zinc/06/88/52/787068852.db2.gz LIHIOOIYURFSLK-LRDDRELGSA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@H](C)O2 ZINC001131645796 787068842 /nfs/dbraw/zinc/06/88/42/787068842.db2.gz LIHIOOIYURFSLK-LRDDRELGSA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131645797 787069447 /nfs/dbraw/zinc/06/94/47/787069447.db2.gz LIHIOOIYURFSLK-MLGOLLRUSA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131645797 787069440 /nfs/dbraw/zinc/06/94/40/787069440.db2.gz LIHIOOIYURFSLK-MLGOLLRUSA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131645798 787067997 /nfs/dbraw/zinc/06/79/97/787067997.db2.gz LIHIOOIYURFSLK-WBMJQRKESA-N 1 1 338.408 -1.144 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@]2(C1)CN(C(=O)CC(N)=O)C[C@@H](C)O2 ZINC001131645798 787067995 /nfs/dbraw/zinc/06/79/95/787067995.db2.gz LIHIOOIYURFSLK-WBMJQRKESA-N 1 1 338.408 -1.144 20 30 EAEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131668788 787073893 /nfs/dbraw/zinc/07/38/93/787073893.db2.gz DMINKRFRTNREBC-GXTWGEPZSA-N 1 1 344.437 -1.635 20 30 EAEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131668789 787073501 /nfs/dbraw/zinc/07/35/01/787073501.db2.gz DMINKRFRTNREBC-JSGCOSHPSA-N 1 1 344.437 -1.635 20 30 EAEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131668790 787072967 /nfs/dbraw/zinc/07/29/67/787072967.db2.gz DMINKRFRTNREBC-OCCSQVGLSA-N 1 1 344.437 -1.635 20 30 EAEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131668791 787072867 /nfs/dbraw/zinc/07/28/67/787072867.db2.gz DMINKRFRTNREBC-TZMCWYRMSA-N 1 1 344.437 -1.635 20 30 EAEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131670064 787074716 /nfs/dbraw/zinc/07/47/16/787074716.db2.gz ZNIKGAGGBLKMPI-GXTWGEPZSA-N 1 1 346.453 -1.082 20 30 EAEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@H](C)O2 ZINC001131670065 787075221 /nfs/dbraw/zinc/07/52/21/787075221.db2.gz ZNIKGAGGBLKMPI-JSGCOSHPSA-N 1 1 346.453 -1.082 20 30 EAEDMO C=CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131670066 787074783 /nfs/dbraw/zinc/07/47/83/787074783.db2.gz ZNIKGAGGBLKMPI-OCCSQVGLSA-N 1 1 346.453 -1.082 20 30 EAEDMO C=CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CNS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131670067 787075171 /nfs/dbraw/zinc/07/51/71/787075171.db2.gz ZNIKGAGGBLKMPI-TZMCWYRMSA-N 1 1 346.453 -1.082 20 30 EAEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@H](C)O2 ZINC001131700939 787081322 /nfs/dbraw/zinc/08/13/22/787081322.db2.gz LNFUCPAZLXETIC-GXTWGEPZSA-N 1 1 329.422 -1.139 20 30 EAEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@H](C)O2 ZINC001131700940 787082384 /nfs/dbraw/zinc/08/23/84/787082384.db2.gz LNFUCPAZLXETIC-JSGCOSHPSA-N 1 1 329.422 -1.139 20 30 EAEDMO C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131700941 787081228 /nfs/dbraw/zinc/08/12/28/787081228.db2.gz LNFUCPAZLXETIC-OCCSQVGLSA-N 1 1 329.422 -1.139 20 30 EAEDMO C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)CS(=O)(=O)NC)C[C@@H](C)O2 ZINC001131700942 787081937 /nfs/dbraw/zinc/08/19/37/787081937.db2.gz LNFUCPAZLXETIC-TZMCWYRMSA-N 1 1 329.422 -1.139 20 30 EAEDMO CNS(=O)(=O)NCC(=O)NCC[NH2+]Cc1cc(F)ccc1C#N ZINC001131828223 787099405 /nfs/dbraw/zinc/09/94/05/787099405.db2.gz IDMACLDFYPMEBG-UHFFFAOYSA-N 1 1 343.384 -1.043 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001131976917 787110102 /nfs/dbraw/zinc/11/01/02/787110102.db2.gz QNPHAKUYEBYUJU-NEPJUHHUSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001131976917 787110095 /nfs/dbraw/zinc/11/00/95/787110095.db2.gz QNPHAKUYEBYUJU-NEPJUHHUSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001131976918 787109418 /nfs/dbraw/zinc/10/94/18/787109418.db2.gz QNPHAKUYEBYUJU-NWDGAFQWSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001131976918 787109411 /nfs/dbraw/zinc/10/94/11/787109411.db2.gz QNPHAKUYEBYUJU-NWDGAFQWSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001131976919 787110752 /nfs/dbraw/zinc/11/07/52/787110752.db2.gz QNPHAKUYEBYUJU-RYUDHWBXSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CN=NC2=O)CC[C@@H]1C ZINC001131976919 787110746 /nfs/dbraw/zinc/11/07/46/787110746.db2.gz QNPHAKUYEBYUJU-RYUDHWBXSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001131976920 787110127 /nfs/dbraw/zinc/11/01/27/787110127.db2.gz QNPHAKUYEBYUJU-VXGBXAGGSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CN=NC2=O)CC[C@H]1C ZINC001131976920 787110120 /nfs/dbraw/zinc/11/01/20/787110120.db2.gz QNPHAKUYEBYUJU-VXGBXAGGSA-N 1 1 334.380 -1.298 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#C)C1 ZINC001131980394 787112068 /nfs/dbraw/zinc/11/20/68/787112068.db2.gz MLANICPOFZYHKA-KBPBESRZSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#C)C1 ZINC001131980394 787112066 /nfs/dbraw/zinc/11/20/66/787112066.db2.gz MLANICPOFZYHKA-KBPBESRZSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#C)C1 ZINC001131980395 787112051 /nfs/dbraw/zinc/11/20/51/787112051.db2.gz MLANICPOFZYHKA-KGLIPLIRSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#C)C1 ZINC001131980395 787112048 /nfs/dbraw/zinc/11/20/48/787112048.db2.gz MLANICPOFZYHKA-KGLIPLIRSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC#C)C1 ZINC001131980396 787112560 /nfs/dbraw/zinc/11/25/60/787112560.db2.gz MLANICPOFZYHKA-UONOGXRCSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NCC#C)C1 ZINC001131980396 787112553 /nfs/dbraw/zinc/11/25/53/787112553.db2.gz MLANICPOFZYHKA-UONOGXRCSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#C)C1 ZINC001131980397 787111283 /nfs/dbraw/zinc/11/12/83/787111283.db2.gz MLANICPOFZYHKA-ZIAGYGMSSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#C)C1 ZINC001131980397 787111276 /nfs/dbraw/zinc/11/12/76/787111276.db2.gz MLANICPOFZYHKA-ZIAGYGMSSA-N 1 1 332.404 -1.156 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131981286 787112523 /nfs/dbraw/zinc/11/25/23/787112523.db2.gz VWEGDCJKWWQTSH-GHMZBOCLSA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131981286 787112517 /nfs/dbraw/zinc/11/25/17/787112517.db2.gz VWEGDCJKWWQTSH-GHMZBOCLSA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131981287 787111660 /nfs/dbraw/zinc/11/16/60/787111660.db2.gz VWEGDCJKWWQTSH-MNOVXSKESA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131981287 787111654 /nfs/dbraw/zinc/11/16/54/787111654.db2.gz VWEGDCJKWWQTSH-MNOVXSKESA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131981288 787112696 /nfs/dbraw/zinc/11/26/96/787112696.db2.gz VWEGDCJKWWQTSH-QWRGUYRKSA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131981288 787112689 /nfs/dbraw/zinc/11/26/89/787112689.db2.gz VWEGDCJKWWQTSH-QWRGUYRKSA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC(N)=O)C1 ZINC001131981289 787111983 /nfs/dbraw/zinc/11/19/83/787111983.db2.gz VWEGDCJKWWQTSH-WDEREUQCSA-N 1 1 337.380 -1.710 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC(N)=O)C1 ZINC001131981289 787111980 /nfs/dbraw/zinc/11/19/80/787111980.db2.gz VWEGDCJKWWQTSH-WDEREUQCSA-N 1 1 337.380 -1.710 20 30 EAEDMO COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001132053549 787115819 /nfs/dbraw/zinc/11/58/19/787115819.db2.gz BTHQDRHREFRWNZ-CHWSQXEVSA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001132053549 787115809 /nfs/dbraw/zinc/11/58/09/787115809.db2.gz BTHQDRHREFRWNZ-CHWSQXEVSA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001132053550 787116641 /nfs/dbraw/zinc/11/66/41/787116641.db2.gz BTHQDRHREFRWNZ-OLZOCXBDSA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@H]1C ZINC001132053550 787116638 /nfs/dbraw/zinc/11/66/38/787116638.db2.gz BTHQDRHREFRWNZ-OLZOCXBDSA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001132053551 787116942 /nfs/dbraw/zinc/11/69/42/787116942.db2.gz BTHQDRHREFRWNZ-QWHCGFSZSA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1C[C@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001132053551 787116934 /nfs/dbraw/zinc/11/69/34/787116934.db2.gz BTHQDRHREFRWNZ-QWHCGFSZSA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001132053552 787116798 /nfs/dbraw/zinc/11/67/98/787116798.db2.gz BTHQDRHREFRWNZ-STQMWFEESA-N 1 1 348.407 -1.004 20 30 EAEDMO COCC#CC[N@@H+]1C[C@@H](NC(=O)Cn2cnc(C(N)=O)n2)CC[C@@H]1C ZINC001132053552 787116790 /nfs/dbraw/zinc/11/67/90/787116790.db2.gz BTHQDRHREFRWNZ-STQMWFEESA-N 1 1 348.407 -1.004 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001132136818 787122312 /nfs/dbraw/zinc/12/23/12/787122312.db2.gz YABYMGXHHVPJOO-CHWSQXEVSA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001132136818 787122308 /nfs/dbraw/zinc/12/23/08/787122308.db2.gz YABYMGXHHVPJOO-CHWSQXEVSA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001132136819 787122632 /nfs/dbraw/zinc/12/26/32/787122632.db2.gz YABYMGXHHVPJOO-OLZOCXBDSA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@H]1C ZINC001132136819 787122624 /nfs/dbraw/zinc/12/26/24/787122624.db2.gz YABYMGXHHVPJOO-OLZOCXBDSA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001132136820 787123340 /nfs/dbraw/zinc/12/33/40/787123340.db2.gz YABYMGXHHVPJOO-QWHCGFSZSA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001132136820 787123334 /nfs/dbraw/zinc/12/33/34/787123334.db2.gz YABYMGXHHVPJOO-QWHCGFSZSA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001132136821 787122517 /nfs/dbraw/zinc/12/25/17/787122517.db2.gz YABYMGXHHVPJOO-STQMWFEESA-N 1 1 348.407 -1.700 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2ncn(C)c2=O)CC[C@@H]1C ZINC001132136821 787122514 /nfs/dbraw/zinc/12/25/14/787122514.db2.gz YABYMGXHHVPJOO-STQMWFEESA-N 1 1 348.407 -1.700 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132200748 787127130 /nfs/dbraw/zinc/12/71/30/787127130.db2.gz UIBHYFVPEKWHKR-CHWSQXEVSA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132200748 787127126 /nfs/dbraw/zinc/12/71/26/787127126.db2.gz UIBHYFVPEKWHKR-CHWSQXEVSA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC#CCOC)C1 ZINC001132200749 787126385 /nfs/dbraw/zinc/12/63/85/787126385.db2.gz UIBHYFVPEKWHKR-OLZOCXBDSA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC#CCOC)C1 ZINC001132200749 787126378 /nfs/dbraw/zinc/12/63/78/787126378.db2.gz UIBHYFVPEKWHKR-OLZOCXBDSA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132200750 787127171 /nfs/dbraw/zinc/12/71/71/787127171.db2.gz UIBHYFVPEKWHKR-QWHCGFSZSA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132200750 787127168 /nfs/dbraw/zinc/12/71/68/787127168.db2.gz UIBHYFVPEKWHKR-QWHCGFSZSA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@@H+](CC#CCOC)C1 ZINC001132200751 787126754 /nfs/dbraw/zinc/12/67/54/787126754.db2.gz UIBHYFVPEKWHKR-STQMWFEESA-N 1 1 346.453 -1.341 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N[C@H]1CC[C@H](C)[N@H+](CC#CCOC)C1 ZINC001132200751 787126728 /nfs/dbraw/zinc/12/67/28/787126728.db2.gz UIBHYFVPEKWHKR-STQMWFEESA-N 1 1 346.453 -1.341 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001132214227 787124400 /nfs/dbraw/zinc/12/44/00/787124400.db2.gz DOTKZWLZCCRERB-KBPBESRZSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001132214227 787124393 /nfs/dbraw/zinc/12/43/93/787124393.db2.gz DOTKZWLZCCRERB-KBPBESRZSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001132214228 787125472 /nfs/dbraw/zinc/12/54/72/787125472.db2.gz DOTKZWLZCCRERB-KGLIPLIRSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001132214228 787125465 /nfs/dbraw/zinc/12/54/65/787125465.db2.gz DOTKZWLZCCRERB-KGLIPLIRSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001132214229 787125528 /nfs/dbraw/zinc/12/55/28/787125528.db2.gz DOTKZWLZCCRERB-UONOGXRCSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@@H]1C ZINC001132214229 787125526 /nfs/dbraw/zinc/12/55/26/787125526.db2.gz DOTKZWLZCCRERB-UONOGXRCSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001132214230 787124472 /nfs/dbraw/zinc/12/44/72/787124472.db2.gz DOTKZWLZCCRERB-ZIAGYGMSSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CN2CCNC(=O)C2)CC[C@H]1C ZINC001132214230 787124466 /nfs/dbraw/zinc/12/44/66/787124466.db2.gz DOTKZWLZCCRERB-ZIAGYGMSSA-N 1 1 349.435 -1.863 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001132342537 787137629 /nfs/dbraw/zinc/13/76/29/787137629.db2.gz BOOIORPTTCVIAP-AAEUAGOBSA-N 1 1 348.403 -1.242 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@@H]1C ZINC001132342537 787137627 /nfs/dbraw/zinc/13/76/27/787137627.db2.gz BOOIORPTTCVIAP-AAEUAGOBSA-N 1 1 348.403 -1.242 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001132342538 787137401 /nfs/dbraw/zinc/13/74/01/787137401.db2.gz BOOIORPTTCVIAP-DGCLKSJQSA-N 1 1 348.403 -1.242 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)C2CC(=O)NC(=O)C2)CC[C@H]1C ZINC001132342538 787137398 /nfs/dbraw/zinc/13/73/98/787137398.db2.gz BOOIORPTTCVIAP-DGCLKSJQSA-N 1 1 348.403 -1.242 20 30 EAEDMO 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C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)O1 ZINC001188323666 790512171 /nfs/dbraw/zinc/51/21/71/790512171.db2.gz ZKIPUZZISINJGM-LXTVHRRPSA-N 1 1 349.435 -1.122 20 30 EAEDMO C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)O1 ZINC001188323666 790512157 /nfs/dbraw/zinc/51/21/57/790512157.db2.gz ZKIPUZZISINJGM-LXTVHRRPSA-N 1 1 349.435 -1.122 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001188387250 790514869 /nfs/dbraw/zinc/51/48/69/790514869.db2.gz CQJMDMZPDXJDMV-QWHCGFSZSA-N 1 1 348.407 -1.583 20 30 EAEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001188387250 790514857 /nfs/dbraw/zinc/51/48/57/790514857.db2.gz CQJMDMZPDXJDMV-QWHCGFSZSA-N 1 1 348.407 -1.583 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3ncn(C)c3=O)[C@@H]2C1 ZINC001188388874 790513955 /nfs/dbraw/zinc/51/39/55/790513955.db2.gz WKHREDJFBCVPGP-QWHCGFSZSA-N 1 1 346.391 -2.136 20 30 EAEDMO 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C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001188413009 790520243 /nfs/dbraw/zinc/52/02/43/790520243.db2.gz CARWHSVECYVXAA-MELADBBJSA-N 1 1 332.404 -1.205 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC(=O)NC3)[C@@H]2C1 ZINC001188413009 790520239 /nfs/dbraw/zinc/52/02/39/790520239.db2.gz CARWHSVECYVXAA-MELADBBJSA-N 1 1 332.404 -1.205 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001188435949 790516945 /nfs/dbraw/zinc/51/69/45/790516945.db2.gz WBTNMEJHIGLTKF-QWHCGFSZSA-N 1 1 348.407 -1.426 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001188435949 790516939 /nfs/dbraw/zinc/51/69/39/790516939.db2.gz WBTNMEJHIGLTKF-QWHCGFSZSA-N 1 1 348.407 -1.426 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001188436033 790515581 /nfs/dbraw/zinc/51/55/81/790515581.db2.gz ZUACGWSRFASUND-UONOGXRCSA-N 1 1 347.419 -1.316 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCCNC3=O)[C@@H]2C1 ZINC001188436033 790515574 /nfs/dbraw/zinc/51/55/74/790515574.db2.gz ZUACGWSRFASUND-UONOGXRCSA-N 1 1 347.419 -1.316 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001188611332 790522715 /nfs/dbraw/zinc/52/27/15/790522715.db2.gz YONYVBULRRILQZ-GXTWGEPZSA-N 1 1 343.387 -1.324 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)c3cn(C)c(=O)cn3)[C@@H]2C1 ZINC001188611332 790522707 /nfs/dbraw/zinc/52/27/07/790522707.db2.gz YONYVBULRRILQZ-GXTWGEPZSA-N 1 1 343.387 -1.324 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684789 790521311 /nfs/dbraw/zinc/52/13/11/790521311.db2.gz LHGCKHZSUWHBKE-GFCCVEGCSA-N 1 1 339.396 -1.333 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684789 790521302 /nfs/dbraw/zinc/52/13/02/790521302.db2.gz LHGCKHZSUWHBKE-GFCCVEGCSA-N 1 1 339.396 -1.333 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684793 790522556 /nfs/dbraw/zinc/52/25/56/790522556.db2.gz LHGCKHZSUWHBKE-LBPRGKRZSA-N 1 1 339.396 -1.333 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(C)=O)C1 ZINC001188684793 790522548 /nfs/dbraw/zinc/52/25/48/790522548.db2.gz LHGCKHZSUWHBKE-LBPRGKRZSA-N 1 1 339.396 -1.333 20 30 EAEDMO CNS(=O)(=O)NCC(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001188724260 790523869 /nfs/dbraw/zinc/52/38/69/790523869.db2.gz QIAYMNLJVMEYIZ-QWHCGFSZSA-N 1 1 344.437 -1.777 20 30 EAEDMO C=CCOCC[N@@H+]1C[C@@H]2CCN(C(=O)CNS(=O)(=O)NC)[C@@H]2C1 ZINC001188730616 790525643 /nfs/dbraw/zinc/52/56/43/790525643.db2.gz ABTBIUBSQFRDRQ-QWHCGFSZSA-N 1 1 346.453 -1.225 20 30 EAEDMO N#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759576 790528675 /nfs/dbraw/zinc/52/86/75/790528675.db2.gz CMLCGFKKNTXIIN-QWHCGFSZSA-N 1 1 348.407 -2.409 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759576 790528662 /nfs/dbraw/zinc/52/86/62/790528662.db2.gz CMLCGFKKNTXIIN-QWHCGFSZSA-N 1 1 348.407 -2.409 20 30 EAEDMO COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759609 790527432 /nfs/dbraw/zinc/52/74/32/790527432.db2.gz FBCWTMHYGYOIBT-LSDHHAIUSA-N 1 1 334.420 -1.399 20 30 EAEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759727 790528498 /nfs/dbraw/zinc/52/84/98/790528498.db2.gz GNIDBKOSFYXPTK-UONOGXRCSA-N 1 1 349.435 -1.747 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188759727 790528490 /nfs/dbraw/zinc/52/84/90/790528490.db2.gz GNIDBKOSFYXPTK-UONOGXRCSA-N 1 1 349.435 -1.747 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188760365 790528916 /nfs/dbraw/zinc/52/89/16/790528916.db2.gz ZWQADUMWOITMOV-UONOGXRCSA-N 1 1 347.419 -2.300 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CN3CCNC(=O)C3)[C@@H]2C1 ZINC001188760365 790528903 /nfs/dbraw/zinc/52/89/03/790528903.db2.gz ZWQADUMWOITMOV-UONOGXRCSA-N 1 1 347.419 -2.300 20 30 EAEDMO Cn1c(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)c[nH]c1=O ZINC001188768554 790527857 /nfs/dbraw/zinc/52/78/57/790527857.db2.gz RMQBNZVOFRCYCM-CMPLNLGQSA-N 1 1 332.364 -1.088 20 30 EAEDMO Cn1c(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)c[nH]c1=O ZINC001188768554 790527851 /nfs/dbraw/zinc/52/78/51/790527851.db2.gz RMQBNZVOFRCYCM-CMPLNLGQSA-N 1 1 332.364 -1.088 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776652 790526757 /nfs/dbraw/zinc/52/67/57/790526757.db2.gz AXMFMAXNOIOJSV-RWMBFGLXSA-N 1 1 333.392 -1.708 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776652 790526752 /nfs/dbraw/zinc/52/67/52/790526752.db2.gz AXMFMAXNOIOJSV-RWMBFGLXSA-N 1 1 333.392 -1.708 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776653 790527244 /nfs/dbraw/zinc/52/72/44/790527244.db2.gz AXMFMAXNOIOJSV-YNEHKIRRSA-N 1 1 333.392 -1.708 20 30 EAEDMO C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776653 790527237 /nfs/dbraw/zinc/52/72/37/790527237.db2.gz AXMFMAXNOIOJSV-YNEHKIRRSA-N 1 1 333.392 -1.708 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776713 790527976 /nfs/dbraw/zinc/52/79/76/790527976.db2.gz DDQAPIZSTKKWLZ-RWMBFGLXSA-N 1 1 335.408 -1.155 20 30 EAEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776713 790527964 /nfs/dbraw/zinc/52/79/64/790527964.db2.gz DDQAPIZSTKKWLZ-RWMBFGLXSA-N 1 1 335.408 -1.155 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776714 790527487 /nfs/dbraw/zinc/52/74/87/790527487.db2.gz DDQAPIZSTKKWLZ-YNEHKIRRSA-N 1 1 335.408 -1.155 20 30 EAEDMO C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)C(=O)N3)[C@@H]2C1 ZINC001188776714 790527482 /nfs/dbraw/zinc/52/74/82/790527482.db2.gz DDQAPIZSTKKWLZ-YNEHKIRRSA-N 1 1 335.408 -1.155 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnnn2)C1 ZINC001188793873 790526428 /nfs/dbraw/zinc/52/64/28/790526428.db2.gz 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C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188813768 790534296 /nfs/dbraw/zinc/53/42/96/790534296.db2.gz RTDNTTQQNKLVAL-SDDRHHMPSA-N 1 1 331.380 -1.506 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)c3nnn(C)n3)[C@@H]2C1 ZINC001188813768 790534285 /nfs/dbraw/zinc/53/42/85/790534285.db2.gz RTDNTTQQNKLVAL-SDDRHHMPSA-N 1 1 331.380 -1.506 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188827399 790532643 /nfs/dbraw/zinc/53/26/43/790532643.db2.gz BIHPFMDLLNZJFN-JTQLQIEISA-N 1 1 340.384 -1.801 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188827399 790532634 /nfs/dbraw/zinc/53/26/34/790532634.db2.gz BIHPFMDLLNZJFN-JTQLQIEISA-N 1 1 340.384 -1.801 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 ZINC001188827402 790533998 /nfs/dbraw/zinc/53/39/98/790533998.db2.gz BIHPFMDLLNZJFN-SNVBAGLBSA-N 1 1 340.384 -1.801 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CNC(N)=O)C1 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CCN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196382 790578503 /nfs/dbraw/zinc/57/85/03/790578503.db2.gz ZERIWGDIHXUSHP-CYBMUJFWSA-N 1 1 348.411 -1.032 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196383 790578454 /nfs/dbraw/zinc/57/84/54/790578454.db2.gz ZERIWGDIHXUSHP-ZDUSSCGKSA-N 1 1 348.411 -1.032 20 30 EAEDMO CCN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2ncnn2)C1 ZINC001190196383 790578448 /nfs/dbraw/zinc/57/84/48/790578448.db2.gz ZERIWGDIHXUSHP-ZDUSSCGKSA-N 1 1 348.411 -1.032 20 30 EAEDMO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@@H+](CC#CCOC)C[C@H]21 ZINC001190227370 790578133 /nfs/dbraw/zinc/57/81/33/790578133.db2.gz ISIMCWDLUOBZCW-QWHCGFSZSA-N 1 1 329.422 -1.282 20 30 EAEDMO CNS(=O)(=O)CC(=O)N1CC[C@H]2C[N@H+](CC#CCOC)C[C@H]21 ZINC001190227370 790578124 /nfs/dbraw/zinc/57/81/24/790578124.db2.gz ISIMCWDLUOBZCW-QWHCGFSZSA-N 1 1 329.422 -1.282 20 30 EAEDMO COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246390 790581822 /nfs/dbraw/zinc/58/18/22/790581822.db2.gz BNCNFTQOBDERRI-GFCCVEGCSA-N 1 1 334.380 -1.441 20 30 EAEDMO COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246394 790581015 /nfs/dbraw/zinc/58/10/15/790581015.db2.gz BNCNFTQOBDERRI-LBPRGKRZSA-N 1 1 334.380 -1.441 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246917 790582062 /nfs/dbraw/zinc/58/20/62/790582062.db2.gz HPWWNYPDAMIJAY-LLVKDONJSA-N 1 1 347.379 -2.341 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246917 790582056 /nfs/dbraw/zinc/58/20/56/790582056.db2.gz HPWWNYPDAMIJAY-LLVKDONJSA-N 1 1 347.379 -2.341 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246918 790580999 /nfs/dbraw/zinc/58/09/99/790580999.db2.gz HPWWNYPDAMIJAY-NSHDSACASA-N 1 1 347.379 -2.341 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190246918 790580991 /nfs/dbraw/zinc/58/09/91/790580991.db2.gz HPWWNYPDAMIJAY-NSHDSACASA-N 1 1 347.379 -2.341 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247105 790580822 /nfs/dbraw/zinc/58/08/22/790580822.db2.gz KYINNTQGYACSGF-JTQLQIEISA-N 1 1 348.367 -2.451 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247105 790580809 /nfs/dbraw/zinc/58/08/09/790580809.db2.gz KYINNTQGYACSGF-JTQLQIEISA-N 1 1 348.367 -2.451 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247106 790582490 /nfs/dbraw/zinc/58/24/90/790582490.db2.gz KYINNTQGYACSGF-SNVBAGLBSA-N 1 1 348.367 -2.451 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190247106 790582481 /nfs/dbraw/zinc/58/24/81/790582481.db2.gz KYINNTQGYACSGF-SNVBAGLBSA-N 1 1 348.367 -2.451 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248149 790581352 /nfs/dbraw/zinc/58/13/52/790581352.db2.gz XKKDTXHGMRUKES-LLVKDONJSA-N 1 1 349.395 -1.788 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248149 790581348 /nfs/dbraw/zinc/58/13/48/790581348.db2.gz XKKDTXHGMRUKES-LLVKDONJSA-N 1 1 349.395 -1.788 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248150 790580795 /nfs/dbraw/zinc/58/07/95/790580795.db2.gz XKKDTXHGMRUKES-NSHDSACASA-N 1 1 349.395 -1.788 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cnc(C(N)=O)n2)C1 ZINC001190248150 790580788 /nfs/dbraw/zinc/58/07/88/790580788.db2.gz XKKDTXHGMRUKES-NSHDSACASA-N 1 1 349.395 -1.788 20 30 EAEDMO C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@@H+](CC)CCO3)[C@@H]2C1 ZINC001190262455 790582393 /nfs/dbraw/zinc/58/23/93/790582393.db2.gz BWBIXVGNJJTILX-ARFHVFGLSA-N 1 1 348.447 -1.011 20 30 EAEDMO C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](CC)CCO3)[C@@H]2C1 ZINC001190262455 790582387 /nfs/dbraw/zinc/58/23/87/790582387.db2.gz BWBIXVGNJJTILX-ARFHVFGLSA-N 1 1 348.447 -1.011 20 30 EAEDMO 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CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]3CN(CC(=O)NCC#N)C[C@H]32)C1 ZINC001190262489 790581625 /nfs/dbraw/zinc/58/16/25/790581625.db2.gz DGMUFHKKNUMKNB-ZNMIVQPWSA-N 1 1 349.435 -1.120 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190327409 790582372 /nfs/dbraw/zinc/58/23/72/790582372.db2.gz CPYXMUKBFAETBS-CHWSQXEVSA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190327409 790582363 /nfs/dbraw/zinc/58/23/63/790582363.db2.gz CPYXMUKBFAETBS-CHWSQXEVSA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190327411 790582718 /nfs/dbraw/zinc/58/27/18/790582718.db2.gz CPYXMUKBFAETBS-OLZOCXBDSA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190327411 790582716 /nfs/dbraw/zinc/58/27/16/790582716.db2.gz CPYXMUKBFAETBS-OLZOCXBDSA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190327413 790581315 /nfs/dbraw/zinc/58/13/15/790581315.db2.gz CPYXMUKBFAETBS-QWHCGFSZSA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190327413 790581311 /nfs/dbraw/zinc/58/13/11/790581311.db2.gz CPYXMUKBFAETBS-QWHCGFSZSA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190327415 790581959 /nfs/dbraw/zinc/58/19/59/790581959.db2.gz CPYXMUKBFAETBS-STQMWFEESA-N 1 1 338.408 -1.580 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 ZINC001190327415 790581951 /nfs/dbraw/zinc/58/19/51/790581951.db2.gz CPYXMUKBFAETBS-STQMWFEESA-N 1 1 338.408 -1.580 20 30 EAEDMO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190328418 790584115 /nfs/dbraw/zinc/58/41/15/790584115.db2.gz IMPHKKSQOUZZGI-NEPJUHHUSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190328418 790584109 /nfs/dbraw/zinc/58/41/09/790584109.db2.gz IMPHKKSQOUZZGI-NEPJUHHUSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190328419 790584737 /nfs/dbraw/zinc/58/47/37/790584737.db2.gz IMPHKKSQOUZZGI-NWDGAFQWSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190328419 790584723 /nfs/dbraw/zinc/58/47/23/790584723.db2.gz IMPHKKSQOUZZGI-NWDGAFQWSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190328420 790584955 /nfs/dbraw/zinc/58/49/55/790584955.db2.gz IMPHKKSQOUZZGI-RYUDHWBXSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@@H](C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190328420 790584952 /nfs/dbraw/zinc/58/49/52/790584952.db2.gz IMPHKKSQOUZZGI-RYUDHWBXSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001190328421 790585346 /nfs/dbraw/zinc/58/53/46/790585346.db2.gz IMPHKKSQOUZZGI-VXGBXAGGSA-N 1 1 339.396 -1.690 20 30 EAEDMO COCC(=O)N[C@H](C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001190328421 790585332 /nfs/dbraw/zinc/58/53/32/790585332.db2.gz IMPHKKSQOUZZGI-VXGBXAGGSA-N 1 1 339.396 -1.690 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190329831 790584642 /nfs/dbraw/zinc/58/46/42/790584642.db2.gz UUPHSRDKYALKFO-CHWSQXEVSA-N 1 1 340.424 -1.028 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190329831 790584631 /nfs/dbraw/zinc/58/46/31/790584631.db2.gz UUPHSRDKYALKFO-CHWSQXEVSA-N 1 1 340.424 -1.028 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190329832 790585050 /nfs/dbraw/zinc/58/50/50/790585050.db2.gz UUPHSRDKYALKFO-OLZOCXBDSA-N 1 1 340.424 -1.028 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NC(=O)COC)C1 ZINC001190329832 790585039 /nfs/dbraw/zinc/58/50/39/790585039.db2.gz UUPHSRDKYALKFO-OLZOCXBDSA-N 1 1 340.424 -1.028 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NC(=O)COC)C1 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790718548 /nfs/dbraw/zinc/71/85/48/790718548.db2.gz VPYKDASOPBNVAK-NSHDSACASA-N 1 1 345.425 -1.772 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092758 790716774 /nfs/dbraw/zinc/71/67/74/790716774.db2.gz CLJPKOYHZKDWKG-NXEZZACHSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092758 790716768 /nfs/dbraw/zinc/71/67/68/790716768.db2.gz CLJPKOYHZKDWKG-NXEZZACHSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092765 790717877 /nfs/dbraw/zinc/71/78/77/790717877.db2.gz CLJPKOYHZKDWKG-UWVGGRQHSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092765 790717864 /nfs/dbraw/zinc/71/78/64/790717864.db2.gz CLJPKOYHZKDWKG-UWVGGRQHSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092767 790718029 /nfs/dbraw/zinc/71/80/29/790718029.db2.gz CLJPKOYHZKDWKG-VHSXEESVSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092767 790718025 /nfs/dbraw/zinc/71/80/25/790718025.db2.gz CLJPKOYHZKDWKG-VHSXEESVSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092769 790718587 /nfs/dbraw/zinc/71/85/87/790718587.db2.gz CLJPKOYHZKDWKG-ZJUUUORDSA-N 1 1 325.369 -1.595 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C(N)=O)C1 ZINC001192092769 790718574 /nfs/dbraw/zinc/71/85/74/790718574.db2.gz CLJPKOYHZKDWKG-ZJUUUORDSA-N 1 1 325.369 -1.595 20 30 EAEDMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001192248490 790726285 /nfs/dbraw/zinc/72/62/85/790726285.db2.gz JKMKNRJLSWYVJT-HUUCEWRRSA-N 1 1 349.391 -1.186 20 30 EAEDMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001192248490 790726276 /nfs/dbraw/zinc/72/62/76/790726276.db2.gz JKMKNRJLSWYVJT-HUUCEWRRSA-N 1 1 349.391 -1.186 20 30 EAEDMO C#CCNC(=O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccn(C)c(=O)c2)C[C@H]1O ZINC001192298188 790733813 /nfs/dbraw/zinc/73/38/13/790733813.db2.gz GEZLLJQPOKQUAK-ZIAGYGMSSA-N 1 1 346.387 -1.814 20 30 EAEDMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001192298788 790728364 /nfs/dbraw/zinc/72/83/64/790728364.db2.gz ZTJJGJQXWMVOSC-HUUCEWRRSA-N 1 1 349.391 -1.186 20 30 EAEDMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001192298788 790728352 /nfs/dbraw/zinc/72/83/52/790728352.db2.gz ZTJJGJQXWMVOSC-HUUCEWRRSA-N 1 1 349.391 -1.186 20 30 EAEDMO C#CCCCCC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192329275 790735111 /nfs/dbraw/zinc/73/51/11/790735111.db2.gz VPTSAZQMFJPMBE-CHWSQXEVSA-N 1 1 336.392 -1.107 20 30 EAEDMO C#CCCCCC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192329275 790735101 /nfs/dbraw/zinc/73/51/01/790735101.db2.gz VPTSAZQMFJPMBE-CHWSQXEVSA-N 1 1 336.392 -1.107 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332192 790736712 /nfs/dbraw/zinc/73/67/12/790736712.db2.gz DUNHNOADGWAKIA-GRYCIOLGSA-N 1 1 337.380 -1.808 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332192 790736703 /nfs/dbraw/zinc/73/67/03/790736703.db2.gz DUNHNOADGWAKIA-GRYCIOLGSA-N 1 1 337.380 -1.808 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332194 790735730 /nfs/dbraw/zinc/73/57/30/790735730.db2.gz DUNHNOADGWAKIA-SDDRHHMPSA-N 1 1 337.380 -1.808 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332194 790735723 /nfs/dbraw/zinc/73/57/23/790735723.db2.gz DUNHNOADGWAKIA-SDDRHHMPSA-N 1 1 337.380 -1.808 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332516 790736759 /nfs/dbraw/zinc/73/67/59/790736759.db2.gz IZRGWYVNLUUORD-FRRDWIJNSA-N 1 1 336.392 -1.699 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332516 790736755 /nfs/dbraw/zinc/73/67/55/790736755.db2.gz IZRGWYVNLUUORD-FRRDWIJNSA-N 1 1 336.392 -1.699 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332517 790735491 /nfs/dbraw/zinc/73/54/91/790735491.db2.gz IZRGWYVNLUUORD-RWMBFGLXSA-N 1 1 336.392 -1.699 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332517 790735483 /nfs/dbraw/zinc/73/54/83/790735483.db2.gz IZRGWYVNLUUORD-RWMBFGLXSA-N 1 1 336.392 -1.699 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332900 790735013 /nfs/dbraw/zinc/73/50/13/790735013.db2.gz NTJVPHIYYBKAAL-FRRDWIJNSA-N 1 1 338.408 -1.146 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332900 790735006 /nfs/dbraw/zinc/73/50/06/790735006.db2.gz NTJVPHIYYBKAAL-FRRDWIJNSA-N 1 1 338.408 -1.146 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332901 790736654 /nfs/dbraw/zinc/73/66/54/790736654.db2.gz NTJVPHIYYBKAAL-RWMBFGLXSA-N 1 1 338.408 -1.146 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C1 ZINC001192332901 790736645 /nfs/dbraw/zinc/73/66/45/790736645.db2.gz NTJVPHIYYBKAAL-RWMBFGLXSA-N 1 1 338.408 -1.146 20 30 EAEDMO Cn1ncc(CCC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)n1 ZINC001192368438 790742086 /nfs/dbraw/zinc/74/20/86/790742086.db2.gz UIQFHDRCKBRIPC-CYBMUJFWSA-N 1 1 333.396 -1.080 20 30 EAEDMO Cn1ncc(CCC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)n1 ZINC001192368438 790742078 /nfs/dbraw/zinc/74/20/78/790742078.db2.gz UIQFHDRCKBRIPC-CYBMUJFWSA-N 1 1 333.396 -1.080 20 30 EAEDMO Cn1ncc(CCC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)n1 ZINC001192368442 790741905 /nfs/dbraw/zinc/74/19/05/790741905.db2.gz UIQFHDRCKBRIPC-ZDUSSCGKSA-N 1 1 333.396 -1.080 20 30 EAEDMO Cn1ncc(CCC(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)n1 ZINC001192368442 790741897 /nfs/dbraw/zinc/74/18/97/790741897.db2.gz UIQFHDRCKBRIPC-ZDUSSCGKSA-N 1 1 333.396 -1.080 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192377904 790740602 /nfs/dbraw/zinc/74/06/02/790740602.db2.gz OTNJTCWRMXFUTB-MCIONIFRSA-N 1 1 334.420 -1.007 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192377904 790740595 /nfs/dbraw/zinc/74/05/95/790740595.db2.gz OTNJTCWRMXFUTB-MCIONIFRSA-N 1 1 334.420 -1.007 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192377905 790740577 /nfs/dbraw/zinc/74/05/77/790740577.db2.gz OTNJTCWRMXFUTB-MJBXVCDLSA-N 1 1 334.420 -1.007 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@H]2C(=O)N(C)C)C1 ZINC001192377905 790740565 /nfs/dbraw/zinc/74/05/65/790740565.db2.gz OTNJTCWRMXFUTB-MJBXVCDLSA-N 1 1 334.420 -1.007 20 30 EAEDMO CN(C)C(=O)[C@@H]1C[C@@H]1C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192378288 790741581 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CLOHNMRNOKFZFK-JMSVASOKSA-N 1 1 326.397 -1.500 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192529206 790767765 /nfs/dbraw/zinc/76/77/65/790767765.db2.gz CLOHNMRNOKFZFK-LALPHHSUSA-N 1 1 326.397 -1.500 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2CCNC2=O)C[C@H]1O ZINC001192529206 790767755 /nfs/dbraw/zinc/76/77/55/790767755.db2.gz CLOHNMRNOKFZFK-LALPHHSUSA-N 1 1 326.397 -1.500 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001192530634 790767962 /nfs/dbraw/zinc/76/79/62/790767962.db2.gz OVJLESPMGFSNJO-FMKPAKJESA-N 1 1 343.424 -1.373 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCOCCNC(C)=O)C[C@H]1O ZINC001192530635 790766733 /nfs/dbraw/zinc/76/67/33/790766733.db2.gz OVJLESPMGFSNJO-IIAWOOMASA-N 1 1 343.424 -1.373 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192540254 790768370 /nfs/dbraw/zinc/76/83/70/790768370.db2.gz NEMZPYFEDQIJJQ-HFAKWTLXSA-N 1 1 340.380 -1.973 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192540254 790768362 /nfs/dbraw/zinc/76/83/62/790768362.db2.gz NEMZPYFEDQIJJQ-HFAKWTLXSA-N 1 1 340.380 -1.973 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192540265 790767544 /nfs/dbraw/zinc/76/75/44/790767544.db2.gz NEMZPYFEDQIJJQ-UEKVPHQBSA-N 1 1 340.380 -1.973 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CNC2=O)C[C@H]1O ZINC001192540265 790767538 /nfs/dbraw/zinc/76/75/38/790767538.db2.gz NEMZPYFEDQIJJQ-UEKVPHQBSA-N 1 1 340.380 -1.973 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001192547775 790763645 /nfs/dbraw/zinc/76/36/45/790763645.db2.gz STPFYTHWUACHOR-HSMVNMDESA-N 1 1 339.392 -1.376 20 30 EAEDMO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001192547775 790763637 /nfs/dbraw/zinc/76/36/37/790763637.db2.gz STPFYTHWUACHOR-HSMVNMDESA-N 1 1 339.392 -1.376 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001192547777 790763172 /nfs/dbraw/zinc/76/31/72/790763172.db2.gz STPFYTHWUACHOR-XHBSWPGZSA-N 1 1 339.392 -1.376 20 30 EAEDMO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@H+](CCN2C(=O)CCC2=O)C[C@H]1O ZINC001192547777 790763166 /nfs/dbraw/zinc/76/31/66/790763166.db2.gz STPFYTHWUACHOR-XHBSWPGZSA-N 1 1 339.392 -1.376 20 30 EAEDMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192550289 790762660 /nfs/dbraw/zinc/76/26/60/790762660.db2.gz GPYYZTDOEHKRBK-GHMZBOCLSA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192550289 790762654 /nfs/dbraw/zinc/76/26/54/790762654.db2.gz GPYYZTDOEHKRBK-GHMZBOCLSA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192550290 790762619 /nfs/dbraw/zinc/76/26/19/790762619.db2.gz GPYYZTDOEHKRBK-MNOVXSKESA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192550290 790762609 /nfs/dbraw/zinc/76/26/09/790762609.db2.gz GPYYZTDOEHKRBK-MNOVXSKESA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192550291 790762778 /nfs/dbraw/zinc/76/27/78/790762778.db2.gz GPYYZTDOEHKRBK-QWRGUYRKSA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192550291 790762773 /nfs/dbraw/zinc/76/27/73/790762773.db2.gz GPYYZTDOEHKRBK-QWRGUYRKSA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192550292 790762329 /nfs/dbraw/zinc/76/23/29/790762329.db2.gz GPYYZTDOEHKRBK-WDEREUQCSA-N 1 1 345.425 -1.903 20 30 EAEDMO C[C@H](NS(C)(=O)=O)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192550292 790762321 /nfs/dbraw/zinc/76/23/21/790762321.db2.gz GPYYZTDOEHKRBK-WDEREUQCSA-N 1 1 345.425 -1.903 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550725 790762983 /nfs/dbraw/zinc/76/29/83/790762983.db2.gz LAWSATFNSAGHIV-NEPJUHHUSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550725 790762976 /nfs/dbraw/zinc/76/29/76/790762976.db2.gz LAWSATFNSAGHIV-NEPJUHHUSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550726 790763534 /nfs/dbraw/zinc/76/35/34/790763534.db2.gz LAWSATFNSAGHIV-NWDGAFQWSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550726 790763526 /nfs/dbraw/zinc/76/35/26/790763526.db2.gz LAWSATFNSAGHIV-NWDGAFQWSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550727 790762025 /nfs/dbraw/zinc/76/20/25/790762025.db2.gz LAWSATFNSAGHIV-RYUDHWBXSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550727 790762020 /nfs/dbraw/zinc/76/20/20/790762020.db2.gz LAWSATFNSAGHIV-RYUDHWBXSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550728 790763049 /nfs/dbraw/zinc/76/30/49/790763049.db2.gz LAWSATFNSAGHIV-VXGBXAGGSA-N 1 1 344.437 -1.794 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550728 790763044 /nfs/dbraw/zinc/76/30/44/790763044.db2.gz LAWSATFNSAGHIV-VXGBXAGGSA-N 1 1 344.437 -1.794 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550937 790762742 /nfs/dbraw/zinc/76/27/42/790762742.db2.gz MEDATSGVDKCRIH-NEPJUHHUSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550937 790762737 /nfs/dbraw/zinc/76/27/37/790762737.db2.gz MEDATSGVDKCRIH-NEPJUHHUSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550939 790762593 /nfs/dbraw/zinc/76/25/93/790762593.db2.gz MEDATSGVDKCRIH-NWDGAFQWSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550939 790762588 /nfs/dbraw/zinc/76/25/88/790762588.db2.gz MEDATSGVDKCRIH-NWDGAFQWSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550940 790762704 /nfs/dbraw/zinc/76/27/04/790762704.db2.gz MEDATSGVDKCRIH-RYUDHWBXSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C)NS(C)(=O)=O)C1 ZINC001192550940 790762695 /nfs/dbraw/zinc/76/26/95/790762695.db2.gz MEDATSGVDKCRIH-RYUDHWBXSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550941 790763207 /nfs/dbraw/zinc/76/32/07/790763207.db2.gz MEDATSGVDKCRIH-VXGBXAGGSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)NS(C)(=O)=O)C1 ZINC001192550941 790763203 /nfs/dbraw/zinc/76/32/03/790763203.db2.gz MEDATSGVDKCRIH-VXGBXAGGSA-N 1 1 346.453 -1.241 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192558556 790764866 /nfs/dbraw/zinc/76/48/66/790764866.db2.gz DCBGSTIEOMWMGF-MNOVXSKESA-N 1 1 337.380 -1.581 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192558556 790764858 /nfs/dbraw/zinc/76/48/58/790764858.db2.gz DCBGSTIEOMWMGF-MNOVXSKESA-N 1 1 337.380 -1.581 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192558560 790766004 /nfs/dbraw/zinc/76/60/04/790766004.db2.gz DCBGSTIEOMWMGF-QWRGUYRKSA-N 1 1 337.380 -1.581 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192558560 790765994 /nfs/dbraw/zinc/76/59/94/790765994.db2.gz DCBGSTIEOMWMGF-QWRGUYRKSA-N 1 1 337.380 -1.581 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559395 790764766 /nfs/dbraw/zinc/76/47/66/790764766.db2.gz IEGSBFOISPVCIA-MNOVXSKESA-N 1 1 335.364 -2.133 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559395 790764758 /nfs/dbraw/zinc/76/47/58/790764758.db2.gz IEGSBFOISPVCIA-MNOVXSKESA-N 1 1 335.364 -2.133 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559397 790766176 /nfs/dbraw/zinc/76/61/76/790766176.db2.gz IEGSBFOISPVCIA-QWRGUYRKSA-N 1 1 335.364 -2.133 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559397 790766168 /nfs/dbraw/zinc/76/61/68/790766168.db2.gz IEGSBFOISPVCIA-QWRGUYRKSA-N 1 1 335.364 -2.133 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559743 790764305 /nfs/dbraw/zinc/76/43/05/790764305.db2.gz JRDDBGPIJMUKAY-UWVGGRQHSA-N 1 1 336.352 -2.243 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559743 790764296 /nfs/dbraw/zinc/76/42/96/790764296.db2.gz JRDDBGPIJMUKAY-UWVGGRQHSA-N 1 1 336.352 -2.243 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559744 790765956 /nfs/dbraw/zinc/76/59/56/790765956.db2.gz JRDDBGPIJMUKAY-ZJUUUORDSA-N 1 1 336.352 -2.243 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC(=O)NC(=O)N2)C1 ZINC001192559744 790765949 /nfs/dbraw/zinc/76/59/49/790765949.db2.gz JRDDBGPIJMUKAY-ZJUUUORDSA-N 1 1 336.352 -2.243 20 30 EAEDMO COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192596064 790770026 /nfs/dbraw/zinc/77/00/26/790770026.db2.gz MHXIHAOBPBQYIU-CYBMUJFWSA-N 1 1 346.453 -1.435 20 30 EAEDMO COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CNS(=O)(=O)N(C)C)C1 ZINC001192596072 790770316 /nfs/dbraw/zinc/77/03/16/790770316.db2.gz MHXIHAOBPBQYIU-ZDUSSCGKSA-N 1 1 346.453 -1.435 20 30 EAEDMO COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001192631950 790773411 /nfs/dbraw/zinc/77/34/11/790773411.db2.gz LHRIVBRZCZYCFF-CYBMUJFWSA-N 1 1 348.403 -1.120 20 30 EAEDMO COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)n(C)c2=O)C1 ZINC001192631951 790774708 /nfs/dbraw/zinc/77/47/08/790774708.db2.gz LHRIVBRZCZYCFF-ZDUSSCGKSA-N 1 1 348.403 -1.120 20 30 EAEDMO COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696066 790778416 /nfs/dbraw/zinc/77/84/16/790778416.db2.gz LJBVFCGIYSUBFW-KBPBESRZSA-N 1 1 338.408 -1.451 20 30 EAEDMO COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)C1 ZINC001192696067 790778071 /nfs/dbraw/zinc/77/80/71/790778071.db2.gz LJBVFCGIYSUBFW-KGLIPLIRSA-N 1 1 338.408 -1.451 20 30 EAEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001192723296 790783090 /nfs/dbraw/zinc/78/30/90/790783090.db2.gz GHPBJDYHKSVKRH-JTQLQIEISA-N 1 1 335.368 -1.195 20 30 EAEDMO C=CCn1cc(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001192723296 790783077 /nfs/dbraw/zinc/78/30/77/790783077.db2.gz GHPBJDYHKSVKRH-JTQLQIEISA-N 1 1 335.368 -1.195 20 30 EAEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001192723297 790782899 /nfs/dbraw/zinc/78/28/99/790782899.db2.gz GHPBJDYHKSVKRH-SNVBAGLBSA-N 1 1 335.368 -1.195 20 30 EAEDMO C=CCn1cc(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C2)nn1 ZINC001192723297 790782894 /nfs/dbraw/zinc/78/28/94/790782894.db2.gz GHPBJDYHKSVKRH-SNVBAGLBSA-N 1 1 335.368 -1.195 20 30 EAEDMO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192749015 790784726 /nfs/dbraw/zinc/78/47/26/790784726.db2.gz ILOLRXBOOKJRPL-GFCCVEGCSA-N 1 1 348.411 -1.031 20 30 EAEDMO CC(C)c1nnnn1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192749015 790784719 /nfs/dbraw/zinc/78/47/19/790784719.db2.gz ILOLRXBOOKJRPL-GFCCVEGCSA-N 1 1 348.411 -1.031 20 30 EAEDMO CC(C)c1nnnn1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192749016 790784320 /nfs/dbraw/zinc/78/43/20/790784320.db2.gz ILOLRXBOOKJRPL-LBPRGKRZSA-N 1 1 348.411 -1.031 20 30 EAEDMO CC(C)c1nnnn1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192749016 790784306 /nfs/dbraw/zinc/78/43/06/790784306.db2.gz ILOLRXBOOKJRPL-LBPRGKRZSA-N 1 1 348.411 -1.031 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001192761334 790782929 /nfs/dbraw/zinc/78/29/29/790782929.db2.gz FISTXLGYODTQCU-RRFJBIMHSA-N 1 1 337.420 -1.210 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001192761334 790782920 /nfs/dbraw/zinc/78/29/20/790782920.db2.gz FISTXLGYODTQCU-RRFJBIMHSA-N 1 1 337.420 -1.210 20 30 EAEDMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761682 790782650 /nfs/dbraw/zinc/78/26/50/790782650.db2.gz LPTGAJZUTDADQT-RBSFLKMASA-N 1 1 328.409 -1.169 20 30 EAEDMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761683 790782118 /nfs/dbraw/zinc/78/21/18/790782118.db2.gz LPTGAJZUTDADQT-RRFJBIMHSA-N 1 1 328.409 -1.169 20 30 EAEDMO CC(=O)NCCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761692 790782731 /nfs/dbraw/zinc/78/27/31/790782731.db2.gz MATRWFOCWLLRTG-HUUCEWRRSA-N 1 1 325.409 -1.040 20 30 EAEDMO CC(=O)NCCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC(C)C)C1 ZINC001192761692 790782722 /nfs/dbraw/zinc/78/27/22/790782722.db2.gz MATRWFOCWLLRTG-HUUCEWRRSA-N 1 1 325.409 -1.040 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001192761842 790782296 /nfs/dbraw/zinc/78/22/96/790782296.db2.gz OXUSXLQRKXXKFL-CHWSQXEVSA-N 1 1 336.392 -1.251 20 30 EAEDMO CC(C)C#CC(=O)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001192761842 790782294 /nfs/dbraw/zinc/78/22/94/790782294.db2.gz OXUSXLQRKXXKFL-CHWSQXEVSA-N 1 1 336.392 -1.251 20 30 EAEDMO CCS(=O)(=O)NCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192779388 790783276 /nfs/dbraw/zinc/78/32/76/790783276.db2.gz SXWCKBUWHLDUEF-ZIAGYGMSSA-N 1 1 343.449 -1.110 20 30 EAEDMO CCS(=O)(=O)NCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192779388 790783268 /nfs/dbraw/zinc/78/32/68/790783268.db2.gz SXWCKBUWHLDUEF-ZIAGYGMSSA-N 1 1 343.449 -1.110 20 30 EAEDMO COCCOC[C@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821492 790788614 /nfs/dbraw/zinc/78/86/14/790788614.db2.gz LTNJXBCSCHXRIJ-RBSFLKMASA-N 1 1 326.393 -1.415 20 30 EAEDMO COCCOC[C@@H](O)C[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192821493 790787959 /nfs/dbraw/zinc/78/79/59/790787959.db2.gz LTNJXBCSCHXRIJ-RRFJBIMHSA-N 1 1 326.393 -1.415 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001192821819 790788307 /nfs/dbraw/zinc/78/83/07/790788307.db2.gz QVHGAPIFBNJDRA-RRFJBIMHSA-N 1 1 335.404 -1.456 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1C[N@H+](C[C@H](O)CN2CCCC2=O)C[C@H]1O ZINC001192821819 790788297 /nfs/dbraw/zinc/78/82/97/790788297.db2.gz QVHGAPIFBNJDRA-RRFJBIMHSA-N 1 1 335.404 -1.456 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192825547 790788093 /nfs/dbraw/zinc/78/80/93/790788093.db2.gz HCVYQVVNVISVLQ-GFCCVEGCSA-N 1 1 336.392 -1.126 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192825547 790788085 /nfs/dbraw/zinc/78/80/85/790788085.db2.gz HCVYQVVNVISVLQ-GFCCVEGCSA-N 1 1 336.392 -1.126 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192825551 790786928 /nfs/dbraw/zinc/78/69/28/790786928.db2.gz HCVYQVVNVISVLQ-LBPRGKRZSA-N 1 1 336.392 -1.126 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192825551 790786923 /nfs/dbraw/zinc/78/69/23/790786923.db2.gz HCVYQVVNVISVLQ-LBPRGKRZSA-N 1 1 336.392 -1.126 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1C[N@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001192826286 790787162 /nfs/dbraw/zinc/78/71/62/790787162.db2.gz FIWKQYGCJBTEHB-CHWSQXEVSA-N 1 1 334.376 -1.497 20 30 EAEDMO O=C(C#CC1CC1)N[C@@H]1C[N@@H+](CCCN2C(=O)CNC2=O)C[C@H]1O ZINC001192826286 790787157 /nfs/dbraw/zinc/78/71/57/790787157.db2.gz FIWKQYGCJBTEHB-CHWSQXEVSA-N 1 1 334.376 -1.497 20 30 EAEDMO CN(C)S(=O)(=O)CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192826630 790786710 /nfs/dbraw/zinc/78/67/10/790786710.db2.gz IGFUSPLDRXOHLC-ZIAGYGMSSA-N 1 1 343.449 -1.157 20 30 EAEDMO CN(C)S(=O)(=O)CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C#CC2CC2)C1 ZINC001192826630 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335.364 -1.788 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192828148 790790675 /nfs/dbraw/zinc/79/06/75/790790675.db2.gz ZLEJGXVPIYIYGB-NSHDSACASA-N 1 1 335.364 -1.788 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CC(=O)NC(=O)C2)C1 ZINC001192828148 790790662 /nfs/dbraw/zinc/79/06/62/790790662.db2.gz ZLEJGXVPIYIYGB-NSHDSACASA-N 1 1 335.364 -1.788 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837683 790791473 /nfs/dbraw/zinc/79/14/73/790791473.db2.gz ORLUTFLVBDBTFT-LLVKDONJSA-N 1 1 349.395 -1.027 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837683 790791459 /nfs/dbraw/zinc/79/14/59/790791459.db2.gz ORLUTFLVBDBTFT-LLVKDONJSA-N 1 1 349.395 -1.027 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001192837687 790790248 /nfs/dbraw/zinc/79/02/48/790790248.db2.gz ORLUTFLVBDBTFT-NSHDSACASA-N 1 1 349.395 -1.027 20 30 EAEDMO 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C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992205 790916575 /nfs/dbraw/zinc/91/65/75/790916575.db2.gz KZPBXXVKCFIHOK-LLVKDONJSA-N 1 1 347.375 -1.618 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992205 790916570 /nfs/dbraw/zinc/91/65/70/790916570.db2.gz KZPBXXVKCFIHOK-LLVKDONJSA-N 1 1 347.375 -1.618 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992206 790917963 /nfs/dbraw/zinc/91/79/63/790917963.db2.gz KZPBXXVKCFIHOK-NSHDSACASA-N 1 1 347.375 -1.618 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)c(=O)[nH]c2=O)C1 ZINC001193992206 790917954 /nfs/dbraw/zinc/91/79/54/790917954.db2.gz KZPBXXVKCFIHOK-NSHDSACASA-N 1 1 347.375 -1.618 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001194037325 790915007 /nfs/dbraw/zinc/91/50/07/790915007.db2.gz FWIVACKRGVLORU-LLVKDONJSA-N 1 1 332.364 -1.100 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001194037325 790915000 /nfs/dbraw/zinc/91/50/00/790915000.db2.gz FWIVACKRGVLORU-LLVKDONJSA-N 1 1 332.364 -1.100 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001194037329 790914471 /nfs/dbraw/zinc/91/44/71/790914471.db2.gz FWIVACKRGVLORU-NSHDSACASA-N 1 1 332.364 -1.100 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)c2c[nH]c(C(N)=O)c2)C1 ZINC001194037329 790914465 /nfs/dbraw/zinc/91/44/65/790914465.db2.gz FWIVACKRGVLORU-NSHDSACASA-N 1 1 332.364 -1.100 20 30 EAEDMO C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001194053485 790917397 /nfs/dbraw/zinc/91/73/97/790917397.db2.gz AZNPXSDOIWJFNK-AAVRWANBSA-N 1 1 338.408 -2.384 20 30 EAEDMO C#CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001194053485 790917392 /nfs/dbraw/zinc/91/73/92/790917392.db2.gz AZNPXSDOIWJFNK-AAVRWANBSA-N 1 1 338.408 -2.384 20 30 EAEDMO 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C[C@@H]1C[N@H+](C)C[C@H](C(=O)N[C@@H]2CN(CC(=O)NCC#N)C[C@H]2O)O1 ZINC001194055067 790919920 /nfs/dbraw/zinc/91/99/20/790919920.db2.gz YBDMPSASSVXVKD-FDYHWXHSSA-N 1 1 339.396 -2.493 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060544 790918763 /nfs/dbraw/zinc/91/87/63/790918763.db2.gz MHAPIDDVHLYCII-NEPJUHHUSA-N 1 1 344.437 -1.487 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194060544 790918755 /nfs/dbraw/zinc/91/87/55/790918755.db2.gz MHAPIDDVHLYCII-NEPJUHHUSA-N 1 1 344.437 -1.487 20 30 EAEDMO C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060545 790920354 /nfs/dbraw/zinc/92/03/54/790920354.db2.gz MHAPIDDVHLYCII-NWDGAFQWSA-N 1 1 344.437 -1.487 20 30 EAEDMO C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060545 790920348 /nfs/dbraw/zinc/92/03/48/790920348.db2.gz MHAPIDDVHLYCII-NWDGAFQWSA-N 1 1 344.437 -1.487 20 30 EAEDMO 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ZINC001194060583 790920578 /nfs/dbraw/zinc/92/05/78/790920578.db2.gz MUKBISJDKPMIGF-VXGBXAGGSA-N 1 1 342.421 -2.040 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194060583 790920573 /nfs/dbraw/zinc/92/05/73/790920573.db2.gz MUKBISJDKPMIGF-VXGBXAGGSA-N 1 1 342.421 -2.040 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194061775 790920259 /nfs/dbraw/zinc/92/02/59/790920259.db2.gz XDTFEGDEQUWPKM-GHMZBOCLSA-N 1 1 343.409 -2.149 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)N2)C1 ZINC001194061775 790920251 /nfs/dbraw/zinc/92/02/51/790920251.db2.gz XDTFEGDEQUWPKM-GHMZBOCLSA-N 1 1 343.409 -2.149 20 30 EAEDMO C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194061776 790918608 /nfs/dbraw/zinc/91/86/08/790918608.db2.gz XDTFEGDEQUWPKM-MNOVXSKESA-N 1 1 343.409 -2.149 20 30 EAEDMO C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)N2)C1 ZINC001194061776 790918598 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337.424 -1.217 20 30 EAEDMO C#CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@H](OC)C1 ZINC001213440540 793889856 /nfs/dbraw/zinc/88/98/56/793889856.db2.gz UAHXRSAASXPKIN-RBSFLKMASA-N 1 1 336.436 -1.107 20 30 EAEDMO C#CCNC(=O)CN1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@H](OC)C1 ZINC001213440541 793889633 /nfs/dbraw/zinc/88/96/33/793889633.db2.gz UAHXRSAASXPKIN-RRFJBIMHSA-N 1 1 336.436 -1.107 20 30 EAEDMO CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001213440564 793889654 /nfs/dbraw/zinc/88/96/54/793889654.db2.gz UWNPMUXDCLQZQV-BFHYXJOUSA-N 1 1 337.424 -1.074 20 30 EAEDMO CO[C@@H]1CN(CC(=O)NCC#N)C[C@H]1NC(=O)C[N@H+]1CCC[C@H]1C ZINC001213440565 793890249 /nfs/dbraw/zinc/89/02/49/793890249.db2.gz UWNPMUXDCLQZQV-MGPQQGTHSA-N 1 1 337.424 -1.074 20 30 EAEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NS(C)(=O)=O)[C@H](OC)C1 ZINC001213491442 793894585 /nfs/dbraw/zinc/89/45/85/793894585.db2.gz OKQQHTYGVAVDQG-JHJVBQTASA-N 1 1 349.453 -1.058 20 30 EAEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NS(C)(=O)=O)[C@H](OC)C1 ZINC001213491443 793895539 /nfs/dbraw/zinc/89/55/39/793895539.db2.gz OKQQHTYGVAVDQG-YNEHKIRRSA-N 1 1 349.453 -1.058 20 30 EAEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC(=O)NC(=O)N2)[C@H](OC)C1 ZINC001213493703 793893919 /nfs/dbraw/zinc/89/39/19/793893919.db2.gz COUCPZBZJWICSH-QJPTWQEYSA-N 1 1 340.380 -1.398 20 30 EAEDMO CC#CC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502298 793895523 /nfs/dbraw/zinc/89/55/23/793895523.db2.gz AHXHWDFPGKWSQT-VXGBXAGGSA-N 1 1 332.426 -1.779 20 30 EAEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502298 793895521 /nfs/dbraw/zinc/89/55/21/793895521.db2.gz AHXHWDFPGKWSQT-VXGBXAGGSA-N 1 1 332.426 -1.779 20 30 EAEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502471 793895480 /nfs/dbraw/zinc/89/54/80/793895480.db2.gz HZNBADBFJAXMEN-VXGBXAGGSA-N 1 1 332.426 -1.779 20 30 EAEDMO C=CCC[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502494 793894292 /nfs/dbraw/zinc/89/42/92/793894292.db2.gz JCGRNPDYBFULBX-VXGBXAGGSA-N 1 1 334.442 -1.226 20 30 EAEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)CNS(=O)(=O)N(C)C)[C@H](OC)C1 ZINC001213502505 793895103 /nfs/dbraw/zinc/89/51/03/793895103.db2.gz JPPZEMHJJVUVMZ-VXGBXAGGSA-N 1 1 334.442 -1.226 20 30 EAEDMO C=CCC[N@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](OC)C1 ZINC001213536996 793897142 /nfs/dbraw/zinc/89/71/42/793897142.db2.gz AIUSONPOHHTDQE-YNEHKIRRSA-N 1 1 326.397 -1.242 20 30 EAEDMO C=C(C)C[N@H+]1C[C@@H](NC(=O)C[C@H](NC(C)=O)C(N)=O)[C@H](OC)C1 ZINC001213537309 793897569 /nfs/dbraw/zinc/89/75/69/793897569.db2.gz GZNICWULCFBLAH-YNEHKIRRSA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@H](O)COC)C[C@H]2OC)nn1 ZINC001213542799 793896080 /nfs/dbraw/zinc/89/60/80/793896080.db2.gz BNHVIPWEUTWAKS-OUCADQQQSA-N 1 1 339.396 -1.100 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](C[C@@H](O)COC)C[C@H]2OC)nn1 ZINC001213542800 793897634 /nfs/dbraw/zinc/89/76/34/793897634.db2.gz BNHVIPWEUTWAKS-YRGRVCCFSA-N 1 1 339.396 -1.100 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2OC)nn1 ZINC001213543028 793897512 /nfs/dbraw/zinc/89/75/12/793897512.db2.gz IKXUCAZKXZXEJE-TZMCWYRMSA-N 1 1 339.396 -1.098 20 30 EAEDMO C=CCn1cc(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2OC)nn1 ZINC001213543028 793897503 /nfs/dbraw/zinc/89/75/03/793897503.db2.gz IKXUCAZKXZXEJE-TZMCWYRMSA-N 1 1 339.396 -1.098 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213580482 793901644 /nfs/dbraw/zinc/90/16/44/793901644.db2.gz DBHSYNSFPDLZJJ-JHJVBQTASA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213580482 793901639 /nfs/dbraw/zinc/90/16/39/793901639.db2.gz DBHSYNSFPDLZJJ-JHJVBQTASA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213580484 793900650 /nfs/dbraw/zinc/90/06/50/793900650.db2.gz DBHSYNSFPDLZJJ-YNEHKIRRSA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213580484 793900646 /nfs/dbraw/zinc/90/06/46/793900646.db2.gz DBHSYNSFPDLZJJ-YNEHKIRRSA-N 1 1 326.397 -1.242 20 30 EAEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581261 793900715 /nfs/dbraw/zinc/90/07/15/793900715.db2.gz TXAWMZSDPTZLST-BFHYXJOUSA-N 1 1 338.408 -1.405 20 30 EAEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581262 793901658 /nfs/dbraw/zinc/90/16/58/793901658.db2.gz TXAWMZSDPTZLST-MGPQQGTHSA-N 1 1 338.408 -1.405 20 30 EAEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581503 793901298 /nfs/dbraw/zinc/90/12/98/793901298.db2.gz ZPJZSRYGKUQRNT-BFHYXJOUSA-N 1 1 338.408 -1.405 20 30 EAEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581503 793901291 /nfs/dbraw/zinc/90/12/91/793901291.db2.gz ZPJZSRYGKUQRNT-BFHYXJOUSA-N 1 1 338.408 -1.405 20 30 EAEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581504 793900880 /nfs/dbraw/zinc/90/08/80/793900880.db2.gz ZPJZSRYGKUQRNT-MGPQQGTHSA-N 1 1 338.408 -1.405 20 30 EAEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CCC(N)=O)NC(C)=O)[C@H](OC)C1 ZINC001213581504 793900878 /nfs/dbraw/zinc/90/08/78/793900878.db2.gz ZPJZSRYGKUQRNT-MGPQQGTHSA-N 1 1 338.408 -1.405 20 30 EAEDMO C#CCC[N@H+]1C[C@@H](NC(=O)CCn2cc[nH]c(=O)c2=O)[C@H](OC)C1 ZINC001213585383 793900691 /nfs/dbraw/zinc/90/06/91/793900691.db2.gz HZRAOJZELLMMAJ-CHWSQXEVSA-N 1 1 334.376 -1.235 20 30 EAEDMO C=CCOCC[N@H+]1C[C@@H](NC(=O)CN2CC(=O)NC2=O)[C@H](OC)C1 ZINC001213588476 793902915 /nfs/dbraw/zinc/90/29/15/793902915.db2.gz IXEVVDZNTQGGAQ-VXGBXAGGSA-N 1 1 340.380 -1.444 20 30 EAEDMO CC[N@@H+](C)CCC(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1OC ZINC001213675817 793908506 /nfs/dbraw/zinc/90/85/06/793908506.db2.gz ATDPWWZFDOOKMF-CHWSQXEVSA-N 1 1 325.413 -1.217 20 30 EAEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689290 793907467 /nfs/dbraw/zinc/90/74/67/793907467.db2.gz DMVDZGAYKGIMTH-YNEHKIRRSA-N 1 1 349.395 -1.984 20 30 EAEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689297 793908603 /nfs/dbraw/zinc/90/86/03/793908603.db2.gz DWRNMXJPCDNDPY-YNEHKIRRSA-N 1 1 349.395 -1.984 20 30 EAEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689297 793908597 /nfs/dbraw/zinc/90/85/97/793908597.db2.gz DWRNMXJPCDNDPY-YNEHKIRRSA-N 1 1 349.395 -1.984 20 30 EAEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689357 793908549 /nfs/dbraw/zinc/90/85/49/793908549.db2.gz GVLHKYFMBMQBAK-QJPTWQEYSA-N 1 1 335.368 -2.374 20 30 EAEDMO C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689357 793908540 /nfs/dbraw/zinc/90/85/40/793908540.db2.gz GVLHKYFMBMQBAK-QJPTWQEYSA-N 1 1 335.368 -2.374 20 30 EAEDMO C=CC[N@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689690 793908306 /nfs/dbraw/zinc/90/83/06/793908306.db2.gz SIMUYFQEZFDIGH-QJPTWQEYSA-N 1 1 337.384 -1.821 20 30 EAEDMO C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213689690 793908300 /nfs/dbraw/zinc/90/83/00/793908300.db2.gz SIMUYFQEZFDIGH-QJPTWQEYSA-N 1 1 337.384 -1.821 20 30 EAEDMO C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213704401 793909364 /nfs/dbraw/zinc/90/93/64/793909364.db2.gz DMVDZGAYKGIMTH-JHJVBQTASA-N 1 1 349.395 -1.984 20 30 EAEDMO CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213704409 793909959 /nfs/dbraw/zinc/90/99/59/793909959.db2.gz DWRNMXJPCDNDPY-JHJVBQTASA-N 1 1 349.395 -1.984 20 30 EAEDMO CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213704409 793909951 /nfs/dbraw/zinc/90/99/51/793909951.db2.gz DWRNMXJPCDNDPY-JHJVBQTASA-N 1 1 349.395 -1.984 20 30 EAEDMO C#CC[N@H+]1C[C@@H](NC(=O)[C@@H](C)NC(=O)Cn2cnnn2)[C@H](OC)C1 ZINC001213704487 793909399 /nfs/dbraw/zinc/90/93/99/793909399.db2.gz 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ISQAOLFXTPJHGZ-FIDHJVLJSA-N 1 1 338.404 -1.507 20 30 EAEDMO O=C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255099560 794724486 /nfs/dbraw/zinc/72/44/86/794724486.db2.gz ISQAOLFXTPJHGZ-ZHCJQAHYSA-N 1 1 338.404 -1.507 20 30 EAEDMO O=C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255099560 794724483 /nfs/dbraw/zinc/72/44/83/794724483.db2.gz ISQAOLFXTPJHGZ-ZHCJQAHYSA-N 1 1 338.404 -1.507 20 30 EAEDMO O=C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C1)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001255099560 794724481 /nfs/dbraw/zinc/72/44/81/794724481.db2.gz ISQAOLFXTPJHGZ-ZHCJQAHYSA-N 1 1 338.404 -1.507 20 30 EAEDMO CCOC(=O)[C@@H]1CCC[C@@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001255339206 794727616 /nfs/dbraw/zinc/72/76/16/794727616.db2.gz RMFJUIGVKCTOKC-BUCHIQEDSA-N 1 1 333.381 -1.660 20 30 EAEDMO CCOC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO)C1 ZINC001255339208 794728858 /nfs/dbraw/zinc/72/88/58/794728858.db2.gz 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C=C[C@@H](COC)NC(=O)C(=O)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC001258275491 794753771 /nfs/dbraw/zinc/75/37/71/794753771.db2.gz QWYNOSAEIPQCGU-LBPRGKRZSA-N 1 1 340.424 -1.028 20 30 EAEDMO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258879777 794758851 /nfs/dbraw/zinc/75/88/51/794758851.db2.gz YPWOVTPUINHGGB-OKKJVPACSA-N 1 1 327.377 -1.142 20 30 EAEDMO COc1ccccc1C[C@H](C)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001258879778 794758886 /nfs/dbraw/zinc/75/88/86/794758886.db2.gz YPWOVTPUINHGGB-XGVIZULCSA-N 1 1 327.377 -1.142 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001261159663 794776428 /nfs/dbraw/zinc/77/64/28/794776428.db2.gz IZYXBUBUSGSZRJ-NEPJUHHUSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001261159663 794776426 /nfs/dbraw/zinc/77/64/26/794776426.db2.gz IZYXBUBUSGSZRJ-NEPJUHHUSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001261159664 794776477 /nfs/dbraw/zinc/77/64/77/794776477.db2.gz IZYXBUBUSGSZRJ-NWDGAFQWSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001261159664 794776475 /nfs/dbraw/zinc/77/64/75/794776475.db2.gz IZYXBUBUSGSZRJ-NWDGAFQWSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCO1 ZINC001261159665 794776394 /nfs/dbraw/zinc/77/63/94/794776394.db2.gz IZYXBUBUSGSZRJ-RYUDHWBXSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCO1 ZINC001261159665 794776391 /nfs/dbraw/zinc/77/63/91/794776391.db2.gz IZYXBUBUSGSZRJ-RYUDHWBXSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCO1 ZINC001261159666 794776124 /nfs/dbraw/zinc/77/61/24/794776124.db2.gz IZYXBUBUSGSZRJ-VXGBXAGGSA-N 1 1 347.437 -1.461 20 30 EAEDMO C=CCS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)[C@H]1C[N@H+](C)CCO1 ZINC001261159666 794776120 /nfs/dbraw/zinc/77/61/20/794776120.db2.gz 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785167937 /nfs/dbraw/zinc/16/79/37/785167937.db2.gz QWNPMEYTXPHMRQ-VXGBXAGGSA-N 1 1 338.412 -1.228 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892497 785168111 /nfs/dbraw/zinc/16/81/11/785168111.db2.gz SWJIYISNXLBFLX-CHWSQXEVSA-N 1 1 333.396 -1.361 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892499 785167949 /nfs/dbraw/zinc/16/79/49/785167949.db2.gz SWJIYISNXLBFLX-OLZOCXBDSA-N 1 1 333.396 -1.361 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892501 785167755 /nfs/dbraw/zinc/16/77/55/785167755.db2.gz SWJIYISNXLBFLX-QWHCGFSZSA-N 1 1 333.396 -1.361 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001266892503 785168044 /nfs/dbraw/zinc/16/80/44/785168044.db2.gz SWJIYISNXLBFLX-STQMWFEESA-N 1 1 333.396 -1.361 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901034 785167919 /nfs/dbraw/zinc/16/79/19/785167919.db2.gz IULBSMGLSUUUGZ-FHUSYTEZSA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901034 785167914 /nfs/dbraw/zinc/16/79/14/785167914.db2.gz IULBSMGLSUUUGZ-FHUSYTEZSA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901035 785167887 /nfs/dbraw/zinc/16/78/87/785167887.db2.gz IULBSMGLSUUUGZ-JZRPKSSGSA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901035 785167882 /nfs/dbraw/zinc/16/78/82/785167882.db2.gz IULBSMGLSUUUGZ-JZRPKSSGSA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901036 785167601 /nfs/dbraw/zinc/16/76/01/785167601.db2.gz IULBSMGLSUUUGZ-KVSVUVNWSA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901036 785167593 /nfs/dbraw/zinc/16/75/93/785167593.db2.gz IULBSMGLSUUUGZ-KVSVUVNWSA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901037 785167795 /nfs/dbraw/zinc/16/77/95/785167795.db2.gz IULBSMGLSUUUGZ-OBPIAQAESA-N 1 1 336.392 -1.085 20 30 EAEDMO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C[C@H]21 ZINC001266901037 785167792 /nfs/dbraw/zinc/16/77/92/785167792.db2.gz IULBSMGLSUUUGZ-OBPIAQAESA-N 1 1 336.392 -1.085 20 30 EAEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266902956 785169880 /nfs/dbraw/zinc/16/98/80/785169880.db2.gz RRAGCTVRJAEBPL-BNDIWNMDSA-N 1 1 335.408 -1.253 20 30 EAEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CN(C)C(=O)N1 ZINC001266902957 785169838 /nfs/dbraw/zinc/16/98/38/785169838.db2.gz RRAGCTVRJAEBPL-IEECTRCBSA-N 1 1 335.408 -1.253 20 30 EAEDMO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001266902958 785169313 /nfs/dbraw/zinc/16/93/13/785169313.db2.gz RRAGCTVRJAEBPL-KIJLLGNVSA-N 1 1 335.408 -1.253 20 30 EAEDMO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CN(C)C(=O)N1 ZINC001266902959 785168764 /nfs/dbraw/zinc/16/87/64/785168764.db2.gz RRAGCTVRJAEBPL-LBELIVKGSA-N 1 1 335.408 -1.253 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001266903848 785168904 /nfs/dbraw/zinc/16/89/04/785168904.db2.gz ZYRPOUUCNKBEJK-BJJPWKGXSA-N 1 1 332.404 -1.351 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001266903850 785169007 /nfs/dbraw/zinc/16/90/07/785169007.db2.gz ZYRPOUUCNKBEJK-MEBFFEOJSA-N 1 1 332.404 -1.351 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCN(C)C1=O ZINC001266903852 785169504 /nfs/dbraw/zinc/16/95/04/785169504.db2.gz ZYRPOUUCNKBEJK-POQQGIQPSA-N 1 1 332.404 -1.351 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCN(C)C1=O ZINC001266903854 785168821 /nfs/dbraw/zinc/16/88/21/785168821.db2.gz ZYRPOUUCNKBEJK-QSLWVIQJSA-N 1 1 332.404 -1.351 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266905710 785169286 /nfs/dbraw/zinc/16/92/86/785169286.db2.gz FCSIEKHIMHBNGM-CYRTVHNOSA-N 1 1 346.387 -1.777 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001266905713 785169076 /nfs/dbraw/zinc/16/90/76/785169076.db2.gz FCSIEKHIMHBNGM-QHUBEEEXSA-N 1 1 346.387 -1.777 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC(=O)NC1=O ZINC001266905714 785169436 /nfs/dbraw/zinc/16/94/36/785169436.db2.gz FCSIEKHIMHBNGM-TVEHIPJCSA-N 1 1 346.387 -1.777 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC(=O)NC1=O ZINC001266905716 785169652 /nfs/dbraw/zinc/16/96/52/785169652.db2.gz FCSIEKHIMHBNGM-VINAVUOLSA-N 1 1 346.387 -1.777 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001918 785178793 /nfs/dbraw/zinc/17/87/93/785178793.db2.gz XMNBYYYXHZITCY-KBPBESRZSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001918 785178788 /nfs/dbraw/zinc/17/87/88/785178788.db2.gz XMNBYYYXHZITCY-KBPBESRZSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001919 785178930 /nfs/dbraw/zinc/17/89/30/785178930.db2.gz XMNBYYYXHZITCY-KGLIPLIRSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001919 785178925 /nfs/dbraw/zinc/17/89/25/785178925.db2.gz XMNBYYYXHZITCY-KGLIPLIRSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001920 785178312 /nfs/dbraw/zinc/17/83/12/785178312.db2.gz XMNBYYYXHZITCY-UONOGXRCSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001920 785178310 /nfs/dbraw/zinc/17/83/10/785178310.db2.gz XMNBYYYXHZITCY-UONOGXRCSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001921 785178735 /nfs/dbraw/zinc/17/87/35/785178735.db2.gz XMNBYYYXHZITCY-ZIAGYGMSSA-N 1 1 337.424 -1.215 20 30 EAEDMO C[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H](C(=O)NCCNCC#N)C2)C1 ZINC001267001921 785178731 /nfs/dbraw/zinc/17/87/31/785178731.db2.gz XMNBYYYXHZITCY-ZIAGYGMSSA-N 1 1 337.424 -1.215 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001267107274 785194041 /nfs/dbraw/zinc/19/40/41/785194041.db2.gz BLGMQNLVHWVOIV-CHWSQXEVSA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001267107274 785194038 /nfs/dbraw/zinc/19/40/38/785194038.db2.gz BLGMQNLVHWVOIV-CHWSQXEVSA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001267107275 785193726 /nfs/dbraw/zinc/19/37/26/785193726.db2.gz BLGMQNLVHWVOIV-OLZOCXBDSA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001267107275 785193722 /nfs/dbraw/zinc/19/37/22/785193722.db2.gz BLGMQNLVHWVOIV-OLZOCXBDSA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001267107276 785193936 /nfs/dbraw/zinc/19/39/36/785193936.db2.gz BLGMQNLVHWVOIV-QWHCGFSZSA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H]2CN(C)C(=O)N2)C1 ZINC001267107276 785193933 /nfs/dbraw/zinc/19/39/33/785193933.db2.gz BLGMQNLVHWVOIV-QWHCGFSZSA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001267107277 785193794 /nfs/dbraw/zinc/19/37/94/785193794.db2.gz BLGMQNLVHWVOIV-STQMWFEESA-N 1 1 335.408 -1.318 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CN(C)C(=O)N2)C1 ZINC001267107277 785193787 /nfs/dbraw/zinc/19/37/87/785193787.db2.gz BLGMQNLVHWVOIV-STQMWFEESA-N 1 1 335.408 -1.318 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267110906 785195207 /nfs/dbraw/zinc/19/52/07/785195207.db2.gz JQBKCHRLBJXAIM-JTQLQIEISA-N 1 1 325.369 -1.594 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267110906 785195205 /nfs/dbraw/zinc/19/52/05/785195205.db2.gz JQBKCHRLBJXAIM-JTQLQIEISA-N 1 1 325.369 -1.594 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267110907 785195114 /nfs/dbraw/zinc/19/51/14/785195114.db2.gz JQBKCHRLBJXAIM-SNVBAGLBSA-N 1 1 325.369 -1.594 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C(N)=O)C1 ZINC001267110907 785195112 /nfs/dbraw/zinc/19/51/12/785195112.db2.gz JQBKCHRLBJXAIM-SNVBAGLBSA-N 1 1 325.369 -1.594 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267116274 785196378 /nfs/dbraw/zinc/19/63/78/785196378.db2.gz DKQCQGQJPCKCTL-CHWSQXEVSA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267116274 785196369 /nfs/dbraw/zinc/19/63/69/785196369.db2.gz DKQCQGQJPCKCTL-CHWSQXEVSA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267116275 785196540 /nfs/dbraw/zinc/19/65/40/785196540.db2.gz DKQCQGQJPCKCTL-OLZOCXBDSA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC(=O)NC2=O)C1 ZINC001267116275 785196531 /nfs/dbraw/zinc/19/65/31/785196531.db2.gz DKQCQGQJPCKCTL-OLZOCXBDSA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267116276 785196685 /nfs/dbraw/zinc/19/66/85/785196685.db2.gz DKQCQGQJPCKCTL-QWHCGFSZSA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267116276 785196680 /nfs/dbraw/zinc/19/66/80/785196680.db2.gz DKQCQGQJPCKCTL-QWHCGFSZSA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267116277 785196200 /nfs/dbraw/zinc/19/62/00/785196200.db2.gz DKQCQGQJPCKCTL-STQMWFEESA-N 1 1 348.403 -1.289 20 30 EAEDMO C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC(=O)NC2=O)C1 ZINC001267116277 785196197 /nfs/dbraw/zinc/19/61/97/785196197.db2.gz DKQCQGQJPCKCTL-STQMWFEESA-N 1 1 348.403 -1.289 20 30 EAEDMO Cn1cc(C(=O)N2CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)n(C)c1=O ZINC001267117652 785196623 /nfs/dbraw/zinc/19/66/23/785196623.db2.gz VCGSATNPDYCMQX-GFCCVEGCSA-N 1 1 348.407 -1.100 20 30 EAEDMO Cn1cc(C(=O)N2CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)n(C)c1=O ZINC001267117652 785196615 /nfs/dbraw/zinc/19/66/15/785196615.db2.gz VCGSATNPDYCMQX-GFCCVEGCSA-N 1 1 348.407 -1.100 20 30 EAEDMO Cn1cc(C(=O)N2CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)n(C)c1=O ZINC001267117653 785196594 /nfs/dbraw/zinc/19/65/94/785196594.db2.gz VCGSATNPDYCMQX-LBPRGKRZSA-N 1 1 348.407 -1.100 20 30 EAEDMO Cn1cc(C(=O)N2CCC[C@H]([N@H+](C)CC(=O)NCC#N)C2)n(C)c1=O ZINC001267117653 785196589 /nfs/dbraw/zinc/19/65/89/785196589.db2.gz VCGSATNPDYCMQX-LBPRGKRZSA-N 1 1 348.407 -1.100 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(N)=O ZINC001267175356 785200841 /nfs/dbraw/zinc/20/08/41/785200841.db2.gz TZBROGBYZUTCIS-LLVKDONJSA-N 1 1 339.396 -1.156 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(N)=O ZINC001267175357 785201032 /nfs/dbraw/zinc/20/10/32/785201032.db2.gz TZBROGBYZUTCIS-NSHDSACASA-N 1 1 339.396 -1.156 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001267188246 785202559 /nfs/dbraw/zinc/20/25/59/785202559.db2.gz GDWIROBZCGIHJD-GHMZBOCLSA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@H]1C(=O)OC ZINC001267188246 785202551 /nfs/dbraw/zinc/20/25/51/785202551.db2.gz GDWIROBZCGIHJD-GHMZBOCLSA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001267188247 785203288 /nfs/dbraw/zinc/20/32/88/785203288.db2.gz GDWIROBZCGIHJD-MNOVXSKESA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1C[C@@H]1C(=O)OC ZINC001267188247 785203286 /nfs/dbraw/zinc/20/32/86/785203286.db2.gz GDWIROBZCGIHJD-MNOVXSKESA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001267188248 785203445 /nfs/dbraw/zinc/20/34/45/785203445.db2.gz GDWIROBZCGIHJD-QWRGUYRKSA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@@H]1C(=O)OC ZINC001267188248 785203440 /nfs/dbraw/zinc/20/34/40/785203440.db2.gz GDWIROBZCGIHJD-QWRGUYRKSA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001267188249 785202854 /nfs/dbraw/zinc/20/28/54/785202854.db2.gz GDWIROBZCGIHJD-WDEREUQCSA-N 1 1 340.380 -1.145 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1C[C@H]1C(=O)OC ZINC001267188249 785202849 /nfs/dbraw/zinc/20/28/49/785202849.db2.gz GDWIROBZCGIHJD-WDEREUQCSA-N 1 1 340.380 -1.145 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001267194090 785203159 /nfs/dbraw/zinc/20/31/59/785203159.db2.gz IOPLKKKRUQSPFQ-CYBMUJFWSA-N 1 1 337.424 -1.022 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001267194090 785203154 /nfs/dbraw/zinc/20/31/54/785203154.db2.gz IOPLKKKRUQSPFQ-CYBMUJFWSA-N 1 1 337.424 -1.022 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001267194095 785202322 /nfs/dbraw/zinc/20/23/22/785202322.db2.gz IOPLKKKRUQSPFQ-ZDUSSCGKSA-N 1 1 337.424 -1.022 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)CNC(=O)N1CCCC1 ZINC001267194095 785202311 /nfs/dbraw/zinc/20/23/11/785202311.db2.gz IOPLKKKRUQSPFQ-ZDUSSCGKSA-N 1 1 337.424 -1.022 20 30 EAEDMO C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001267199806 785203090 /nfs/dbraw/zinc/20/30/90/785203090.db2.gz WABBBOCTUQGBQH-CYBMUJFWSA-N 1 1 338.408 -1.320 20 30 EAEDMO C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001267199806 785203087 /nfs/dbraw/zinc/20/30/87/785203087.db2.gz WABBBOCTUQGBQH-CYBMUJFWSA-N 1 1 338.408 -1.320 20 30 EAEDMO C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001267199815 785202933 /nfs/dbraw/zinc/20/29/33/785202933.db2.gz WABBBOCTUQGBQH-ZDUSSCGKSA-N 1 1 338.408 -1.320 20 30 EAEDMO C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CN2CCOCC2=O)C1=O ZINC001267199815 785202930 /nfs/dbraw/zinc/20/29/30/785202930.db2.gz WABBBOCTUQGBQH-ZDUSSCGKSA-N 1 1 338.408 -1.320 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001267210707 785206891 /nfs/dbraw/zinc/20/68/91/785206891.db2.gz JIOKIUISQIKUEH-SECBINFHSA-N 1 1 338.372 -1.728 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001267210707 785206885 /nfs/dbraw/zinc/20/68/85/785206885.db2.gz JIOKIUISQIKUEH-SECBINFHSA-N 1 1 338.372 -1.728 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001267210708 785206256 /nfs/dbraw/zinc/20/62/56/785206256.db2.gz JIOKIUISQIKUEH-VIFPVBQESA-N 1 1 338.372 -1.728 20 30 EAEDMO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCNC(=O)c1nnn(C)n1 ZINC001267210708 785206249 /nfs/dbraw/zinc/20/62/49/785206249.db2.gz JIOKIUISQIKUEH-VIFPVBQESA-N 1 1 338.372 -1.728 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001267211017 785206600 /nfs/dbraw/zinc/20/66/00/785206600.db2.gz REGQTRNUIMKUJU-JTQLQIEISA-N 1 1 325.369 -1.818 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CCNC1=O ZINC001267211017 785206595 /nfs/dbraw/zinc/20/65/95/785206595.db2.gz REGQTRNUIMKUJU-JTQLQIEISA-N 1 1 325.369 -1.818 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001267211021 785207531 /nfs/dbraw/zinc/20/75/31/785207531.db2.gz REGQTRNUIMKUJU-SNVBAGLBSA-N 1 1 325.369 -1.818 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CCNC1=O ZINC001267211021 785207523 /nfs/dbraw/zinc/20/75/23/785207523.db2.gz REGQTRNUIMKUJU-SNVBAGLBSA-N 1 1 325.369 -1.818 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001267211260 785207256 /nfs/dbraw/zinc/20/72/56/785207256.db2.gz UQTDZFFLNGFKRM-GHMZBOCLSA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@H]1C(N)=O ZINC001267211260 785207250 /nfs/dbraw/zinc/20/72/50/785207250.db2.gz UQTDZFFLNGFKRM-GHMZBOCLSA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001267211267 785206178 /nfs/dbraw/zinc/20/61/78/785206178.db2.gz UQTDZFFLNGFKRM-MNOVXSKESA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@H]1C(N)=O ZINC001267211267 785206171 /nfs/dbraw/zinc/20/61/71/785206171.db2.gz UQTDZFFLNGFKRM-MNOVXSKESA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001267211271 785207506 /nfs/dbraw/zinc/20/75/06/785207506.db2.gz UQTDZFFLNGFKRM-QWRGUYRKSA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]1C(N)=O ZINC001267211271 785207502 /nfs/dbraw/zinc/20/75/02/785207502.db2.gz UQTDZFFLNGFKRM-QWRGUYRKSA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001267211274 785206030 /nfs/dbraw/zinc/20/60/30/785206030.db2.gz UQTDZFFLNGFKRM-WDEREUQCSA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]1C(N)=O ZINC001267211274 785206021 /nfs/dbraw/zinc/20/60/21/785206021.db2.gz UQTDZFFLNGFKRM-WDEREUQCSA-N 1 1 339.396 -1.442 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001267213372 785206573 /nfs/dbraw/zinc/20/65/73/785206573.db2.gz JOLDPISDWASQQG-UHFFFAOYSA-N 1 1 336.352 -1.557 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)c1c[nH]c(=O)cn1 ZINC001267213372 785206566 /nfs/dbraw/zinc/20/65/66/785206566.db2.gz JOLDPISDWASQQG-UHFFFAOYSA-N 1 1 336.352 -1.557 20 30 EAEDMO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267217513 785207124 /nfs/dbraw/zinc/20/71/24/785207124.db2.gz JCPBPAVQVKZXIS-GRYCIOLGSA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267217513 785207120 /nfs/dbraw/zinc/20/71/20/785207120.db2.gz JCPBPAVQVKZXIS-GRYCIOLGSA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267217514 785207379 /nfs/dbraw/zinc/20/73/79/785207379.db2.gz JCPBPAVQVKZXIS-SDDRHHMPSA-N 1 1 326.397 -1.242 20 30 EAEDMO C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[C@@H](C(N)=O)O1 ZINC001267217514 785207371 /nfs/dbraw/zinc/20/73/71/785207371.db2.gz JCPBPAVQVKZXIS-SDDRHHMPSA-N 1 1 326.397 -1.242 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001267219507 785207144 /nfs/dbraw/zinc/20/71/44/785207144.db2.gz REGUDRPBVXLTJI-CHWSQXEVSA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001267219507 785207140 /nfs/dbraw/zinc/20/71/40/785207140.db2.gz REGUDRPBVXLTJI-CHWSQXEVSA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001267219510 785207561 /nfs/dbraw/zinc/20/75/61/785207561.db2.gz REGUDRPBVXLTJI-OLZOCXBDSA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001267219510 785207552 /nfs/dbraw/zinc/20/75/52/785207552.db2.gz REGUDRPBVXLTJI-OLZOCXBDSA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001267219512 785207579 /nfs/dbraw/zinc/20/75/79/785207579.db2.gz REGUDRPBVXLTJI-QWHCGFSZSA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2nnnn2CC1 ZINC001267219512 785207575 /nfs/dbraw/zinc/20/75/75/785207575.db2.gz REGUDRPBVXLTJI-QWHCGFSZSA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001267219514 785206103 /nfs/dbraw/zinc/20/61/03/785206103.db2.gz REGUDRPBVXLTJI-STQMWFEESA-N 1 1 347.423 -1.189 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CCc2nnnn2CC1 ZINC001267219514 785206098 /nfs/dbraw/zinc/20/60/98/785206098.db2.gz REGUDRPBVXLTJI-STQMWFEESA-N 1 1 347.423 -1.189 20 30 EAEDMO C=CCCn1cc(C(=O)NCC[N@H+](C)CC(=O)NC(=O)NC)nn1 ZINC001267220934 785209108 /nfs/dbraw/zinc/20/91/08/785209108.db2.gz MMVJHSPXEWVWGK-UHFFFAOYSA-N 1 1 337.384 -1.029 20 30 EAEDMO C=CCCn1cc(C(=O)NCC[N@@H+](C)CC(=O)NC(=O)NC)nn1 ZINC001267220934 785209100 /nfs/dbraw/zinc/20/91/00/785209100.db2.gz MMVJHSPXEWVWGK-UHFFFAOYSA-N 1 1 337.384 -1.029 20 30 EAEDMO C=CCn1cc(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(=O)NC)nn1 ZINC001267221215 785207073 /nfs/dbraw/zinc/20/70/73/785207073.db2.gz YCPHNBKIUCLEOA-JTQLQIEISA-N 1 1 337.384 -1.030 20 30 EAEDMO C=CCn1cc(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC)nn1 ZINC001267221215 785207066 /nfs/dbraw/zinc/20/70/66/785207066.db2.gz YCPHNBKIUCLEOA-JTQLQIEISA-N 1 1 337.384 -1.030 20 30 EAEDMO C=CCn1cc(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(=O)NC)nn1 ZINC001267221216 785207638 /nfs/dbraw/zinc/20/76/38/785207638.db2.gz YCPHNBKIUCLEOA-SNVBAGLBSA-N 1 1 337.384 -1.030 20 30 EAEDMO C=CCn1cc(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC)nn1 ZINC001267221216 785207634 /nfs/dbraw/zinc/20/76/34/785207634.db2.gz YCPHNBKIUCLEOA-SNVBAGLBSA-N 1 1 337.384 -1.030 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001267228995 785210257 /nfs/dbraw/zinc/21/02/57/785210257.db2.gz DFFLNUDETKBZLJ-GHMZBOCLSA-N 1 1 337.380 -1.840 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[C@H]1NC(=O)NC1=O ZINC001267228995 785210253 /nfs/dbraw/zinc/21/02/53/785210253.db2.gz DFFLNUDETKBZLJ-GHMZBOCLSA-N 1 1 337.380 -1.840 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267228996 785210166 /nfs/dbraw/zinc/21/01/66/785210166.db2.gz DFFLNUDETKBZLJ-MNOVXSKESA-N 1 1 337.380 -1.840 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267228996 785210158 /nfs/dbraw/zinc/21/01/58/785210158.db2.gz DFFLNUDETKBZLJ-MNOVXSKESA-N 1 1 337.380 -1.840 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]1NC(=O)NC1=O ZINC001267228997 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337.424 -1.035 20 30 EAEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@@H]1CCCN(C(N)=O)C1 ZINC001267245261 785211379 /nfs/dbraw/zinc/21/13/79/785211379.db2.gz HMVVEDAEBDNQBA-CYBMUJFWSA-N 1 1 337.424 -1.035 20 30 EAEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001267245263 785211833 /nfs/dbraw/zinc/21/18/33/785211833.db2.gz HMVVEDAEBDNQBA-ZDUSSCGKSA-N 1 1 337.424 -1.035 20 30 EAEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)[C@H]1CCCN(C(N)=O)C1 ZINC001267245263 785211827 /nfs/dbraw/zinc/21/18/27/785211827.db2.gz HMVVEDAEBDNQBA-ZDUSSCGKSA-N 1 1 337.424 -1.035 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C(=O)NCC(F)F ZINC001267245499 785211890 /nfs/dbraw/zinc/21/18/90/785211890.db2.gz NMVOEMADSGVJET-JTQLQIEISA-N 1 1 332.351 -1.056 20 30 EAEDMO C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C(=O)NCC(F)F ZINC001267245499 785211880 /nfs/dbraw/zinc/21/18/80/785211880.db2.gz NMVOEMADSGVJET-JTQLQIEISA-N 1 1 332.351 -1.056 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C(=O)NCC(F)F ZINC001267245500 785211699 /nfs/dbraw/zinc/21/16/99/785211699.db2.gz NMVOEMADSGVJET-SNVBAGLBSA-N 1 1 332.351 -1.056 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C(=O)NCC(F)F ZINC001267245500 785211692 /nfs/dbraw/zinc/21/16/92/785211692.db2.gz NMVOEMADSGVJET-SNVBAGLBSA-N 1 1 332.351 -1.056 20 30 EAEDMO C#CCNC(=O)C[N@@H+](CC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267250101 785214430 /nfs/dbraw/zinc/21/44/30/785214430.db2.gz CRUGSYFZJJBKSS-UHFFFAOYSA-N 1 1 349.391 -2.115 20 30 EAEDMO C#CCNC(=O)C[N@H+](CC)CCNC(=O)c1cn(C)c(=O)n(C)c1=O ZINC001267250101 785214423 /nfs/dbraw/zinc/21/44/23/785214423.db2.gz CRUGSYFZJJBKSS-UHFFFAOYSA-N 1 1 349.391 -2.115 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@@H+](CC)CCNC(=O)c1cnn(C)n1 ZINC001267252259 785214462 /nfs/dbraw/zinc/21/44/62/785214462.db2.gz IPRYDLFNHQRLGK-UHFFFAOYSA-N 1 1 337.384 -1.121 20 30 EAEDMO C=CCNC(=O)NC(=O)C[N@H+](CC)CCNC(=O)c1cnn(C)n1 ZINC001267252259 785214455 /nfs/dbraw/zinc/21/44/55/785214455.db2.gz IPRYDLFNHQRLGK-UHFFFAOYSA-N 1 1 337.384 -1.121 20 30 EAEDMO 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C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)NC(=O)Cn1cnnn1 ZINC001267279602 785215300 /nfs/dbraw/zinc/21/53/00/785215300.db2.gz HXQKODYWDQLAPI-STQMWFEESA-N 1 1 333.396 -1.218 20 30 EAEDMO C=CCNC(=O)NC(=O)CN1CCC[C@@H]1CNC(=O)Cc1nnc[nH]1 ZINC001267280927 785217196 /nfs/dbraw/zinc/21/71/96/785217196.db2.gz YFJNQZOHDALAQE-LLVKDONJSA-N 1 1 349.395 -1.060 20 30 EAEDMO C=CCNC(=O)NC(=O)CN1CCC[C@H]1CNC(=O)Cc1nnc[nH]1 ZINC001267280928 785218164 /nfs/dbraw/zinc/21/81/64/785218164.db2.gz YFJNQZOHDALAQE-NSHDSACASA-N 1 1 349.395 -1.060 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001267281507 785217724 /nfs/dbraw/zinc/21/77/24/785217724.db2.gz MRVVJTFYABJPHD-CYBMUJFWSA-N 1 1 348.407 -1.780 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001267281507 785217722 /nfs/dbraw/zinc/21/77/22/785217722.db2.gz MRVVJTFYABJPHD-CYBMUJFWSA-N 1 1 348.407 -1.780 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1nc(C)n(C)c1=O ZINC001267281508 785218036 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-1.105 20 30 EAEDMO C=CCCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001278810689 794719104 /nfs/dbraw/zinc/71/91/04/794719104.db2.gz NROWWZZOWKRMKA-IAQYHMDHSA-N 1 1 336.396 -1.105 20 30 EAEDMO C=CCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@H](C)C(N)=O)C2)nn1 ZINC001278810689 794719099 /nfs/dbraw/zinc/71/90/99/794719099.db2.gz NROWWZZOWKRMKA-IAQYHMDHSA-N 1 1 336.396 -1.105 20 30 EAEDMO C=CCCn1cc(C(=O)NC[C@@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001278810691 794718775 /nfs/dbraw/zinc/71/87/75/794718775.db2.gz NROWWZZOWKRMKA-NHYWBVRUSA-N 1 1 336.396 -1.105 20 30 EAEDMO C=CCCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001278810691 794718766 /nfs/dbraw/zinc/71/87/66/794718766.db2.gz NROWWZZOWKRMKA-NHYWBVRUSA-N 1 1 336.396 -1.105 20 30 EAEDMO C=CCCn1cc(C(=O)NC[C@]2(O)CC[N@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001278810694 794718716 /nfs/dbraw/zinc/71/87/16/794718716.db2.gz NROWWZZOWKRMKA-XHDPSFHLSA-N 1 1 336.396 -1.105 20 30 EAEDMO C=CCCn1cc(C(=O)NC[C@]2(O)CC[N@@H+]([C@@H](C)C(N)=O)C2)nn1 ZINC001278810694 794718709 /nfs/dbraw/zinc/71/87/09/794718709.db2.gz NROWWZZOWKRMKA-XHDPSFHLSA-N 1 1 336.396 -1.105 20 30 EAEDMO C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278811424 794718419 /nfs/dbraw/zinc/71/84/19/794718419.db2.gz ULTYMDWHOSENHK-CYBMUJFWSA-N 1 1 334.442 -1.489 20 30 EAEDMO C=CCC[N@@H+]1CC[C@](O)(CNC(=O)CNS(=O)(=O)N(C)C)C1 ZINC001278811430 794719210 /nfs/dbraw/zinc/71/92/10/794719210.db2.gz ULTYMDWHOSENHK-ZDUSSCGKSA-N 1 1 334.442 -1.489 20 30 EAEDMO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@H+](CC(=O)NCC)C2)nn1 ZINC001278811627 794719296 /nfs/dbraw/zinc/71/92/96/794719296.db2.gz WLTOILRYYOQTAF-HNNXBMFYSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCn1cc(C(=O)NC[C@@]2(O)CC[N@@H+](CC(=O)NCC)C2)nn1 ZINC001278811627 794719291 /nfs/dbraw/zinc/71/92/91/794719291.db2.gz WLTOILRYYOQTAF-HNNXBMFYSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@H+](CC(=O)NCC)C2)nn1 ZINC001278811629 794719029 /nfs/dbraw/zinc/71/90/29/794719029.db2.gz WLTOILRYYOQTAF-OAHLLOKOSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCn1cc(C(=O)NC[C@]2(O)CC[N@@H+](CC(=O)NCC)C2)nn1 ZINC001278811629 794719022 /nfs/dbraw/zinc/71/90/22/794719022.db2.gz WLTOILRYYOQTAF-OAHLLOKOSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001278815441 794718146 /nfs/dbraw/zinc/71/81/46/794718146.db2.gz DODVSRYJDKAMAG-HNNXBMFYSA-N 1 1 337.380 -1.224 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001278815441 794718141 /nfs/dbraw/zinc/71/81/41/794718141.db2.gz DODVSRYJDKAMAG-HNNXBMFYSA-N 1 1 337.380 -1.224 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001278815442 794718008 /nfs/dbraw/zinc/71/80/08/794718008.db2.gz DODVSRYJDKAMAG-OAHLLOKOSA-N 1 1 337.380 -1.224 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)Cc2nonc2C)C1 ZINC001278815442 794718004 /nfs/dbraw/zinc/71/80/04/794718004.db2.gz DODVSRYJDKAMAG-OAHLLOKOSA-N 1 1 337.380 -1.224 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(CC)cn2)C1 ZINC001278815539 794718085 /nfs/dbraw/zinc/71/80/85/794718085.db2.gz FYDBKQMJYYPTRX-INIZCTEOSA-N 1 1 333.392 -1.181 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC)cn2)C1 ZINC001278815539 794718081 /nfs/dbraw/zinc/71/80/81/794718081.db2.gz FYDBKQMJYYPTRX-INIZCTEOSA-N 1 1 333.392 -1.181 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(CC)cn2)C1 ZINC001278815540 794718373 /nfs/dbraw/zinc/71/83/73/794718373.db2.gz FYDBKQMJYYPTRX-MRXNPFEDSA-N 1 1 333.392 -1.181 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC)cn2)C1 ZINC001278815540 794718368 /nfs/dbraw/zinc/71/83/68/794718368.db2.gz FYDBKQMJYYPTRX-MRXNPFEDSA-N 1 1 333.392 -1.181 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278815553 794718738 /nfs/dbraw/zinc/71/87/38/794718738.db2.gz GJRAHFUTJVTTDH-HNNXBMFYSA-N 1 1 337.380 -2.295 20 30 EAEDMO N#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278815553 794718730 /nfs/dbraw/zinc/71/87/30/794718730.db2.gz GJRAHFUTJVTTDH-HNNXBMFYSA-N 1 1 337.380 -2.295 20 30 EAEDMO N#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278815554 794718190 /nfs/dbraw/zinc/71/81/90/794718190.db2.gz GJRAHFUTJVTTDH-OAHLLOKOSA-N 1 1 337.380 -2.295 20 30 EAEDMO N#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278815554 794718185 /nfs/dbraw/zinc/71/81/85/794718185.db2.gz GJRAHFUTJVTTDH-OAHLLOKOSA-N 1 1 337.380 -2.295 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001278815591 794718405 /nfs/dbraw/zinc/71/84/05/794718405.db2.gz HEJWIJFSVYCPOM-HNNXBMFYSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001278815591 794718400 /nfs/dbraw/zinc/71/84/00/794718400.db2.gz HEJWIJFSVYCPOM-HNNXBMFYSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001278815593 794718103 /nfs/dbraw/zinc/71/81/03/794718103.db2.gz HEJWIJFSVYCPOM-OAHLLOKOSA-N 1 1 336.396 -1.233 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cn(CC)nn2)C1 ZINC001278815593 794718100 /nfs/dbraw/zinc/71/81/00/794718100.db2.gz HEJWIJFSVYCPOM-OAHLLOKOSA-N 1 1 336.396 -1.233 20 30 EAEDMO CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001278815829 794718826 /nfs/dbraw/zinc/71/88/26/794718826.db2.gz KDXVRDKTSLJSCX-DOMZBBRYSA-N 1 1 349.395 -2.246 20 30 EAEDMO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)NC(=O)Cn2cnnn2)C1 ZINC001278815830 794718658 /nfs/dbraw/zinc/71/86/58/794718658.db2.gz KDXVRDKTSLJSCX-IUODEOHRSA-N 1 1 349.395 -2.246 20 30 EAEDMO CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001278815831 794719168 /nfs/dbraw/zinc/71/91/68/794719168.db2.gz KDXVRDKTSLJSCX-SWLSCSKDSA-N 1 1 349.395 -2.246 20 30 EAEDMO CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H](C)NC(=O)Cn2cnnn2)C1 ZINC001278815832 794719060 /nfs/dbraw/zinc/71/90/60/794719060.db2.gz KDXVRDKTSLJSCX-WFASDCNBSA-N 1 1 349.395 -2.246 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278816114 794719046 /nfs/dbraw/zinc/71/90/46/794719046.db2.gz NQBHQWUICPAJAC-INIZCTEOSA-N 1 1 338.408 -1.632 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278816114 794719043 /nfs/dbraw/zinc/71/90/43/794719043.db2.gz NQBHQWUICPAJAC-INIZCTEOSA-N 1 1 338.408 -1.632 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278816116 794718997 /nfs/dbraw/zinc/71/89/97/794718997.db2.gz NQBHQWUICPAJAC-MRXNPFEDSA-N 1 1 338.408 -1.632 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C(=O)NCC2CC2)C1 ZINC001278816116 794718991 /nfs/dbraw/zinc/71/89/91/794718991.db2.gz NQBHQWUICPAJAC-MRXNPFEDSA-N 1 1 338.408 -1.632 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001278816175 794718949 /nfs/dbraw/zinc/71/89/49/794718949.db2.gz OFXCEUBYSYNHDX-INIZCTEOSA-N 1 1 349.391 -1.046 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001278816175 794718944 /nfs/dbraw/zinc/71/89/44/794718944.db2.gz OFXCEUBYSYNHDX-INIZCTEOSA-N 1 1 349.391 -1.046 20 30 EAEDMO C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001278816177 794718341 /nfs/dbraw/zinc/71/83/41/794718341.db2.gz OFXCEUBYSYNHDX-MRXNPFEDSA-N 1 1 349.391 -1.046 20 30 EAEDMO C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2cnc(OC)nc2)C1 ZINC001278816177 794718336 /nfs/dbraw/zinc/71/83/36/794718336.db2.gz OFXCEUBYSYNHDX-MRXNPFEDSA-N 1 1 349.391 -1.046 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001278816313 794718794 /nfs/dbraw/zinc/71/87/94/794718794.db2.gz PKORMEGDEHLZSB-INIZCTEOSA-N 1 1 347.375 -1.599 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001278816313 794718789 /nfs/dbraw/zinc/71/87/89/794718789.db2.gz PKORMEGDEHLZSB-INIZCTEOSA-N 1 1 347.375 -1.599 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001278816314 794718470 /nfs/dbraw/zinc/71/84/70/794718470.db2.gz PKORMEGDEHLZSB-MRXNPFEDSA-N 1 1 347.375 -1.599 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)c2ccc(OC)nn2)C1 ZINC001278816314 794718466 /nfs/dbraw/zinc/71/84/66/794718466.db2.gz PKORMEGDEHLZSB-MRXNPFEDSA-N 1 1 347.375 -1.599 20 30 EAEDMO CC[N@@H+](C)CCC(=O)NC[C@@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001278816551 794717958 /nfs/dbraw/zinc/71/79/58/794717958.db2.gz SBZVGOOOVUMFKD-HNNXBMFYSA-N 1 1 325.413 -1.479 20 30 EAEDMO CC[N@@H+](C)CCC(=O)NC[C@]1(O)CCN(CC(=O)NCC#N)C1 ZINC001278816552 794719270 /nfs/dbraw/zinc/71/92/70/794719270.db2.gz SBZVGOOOVUMFKD-OAHLLOKOSA-N 1 1 325.413 -1.479 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001278816669 794718898 /nfs/dbraw/zinc/71/88/98/794718898.db2.gz VRFKJMGZFVTQDZ-CXAGYDPISA-N 1 1 347.419 -1.347 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001278816669 794718895 /nfs/dbraw/zinc/71/88/95/794718895.db2.gz VRFKJMGZFVTQDZ-CXAGYDPISA-N 1 1 347.419 -1.347 20 30 EAEDMO C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@](O)(CNC(=O)Cc2cncn2C)C1 ZINC001278816670 794719232 /nfs/dbraw/zinc/71/92/32/794719232.db2.gz VRFKJMGZFVTQDZ-DYVFJYSZSA-N 1 1 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20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001284985423 788620846 /nfs/dbraw/zinc/62/08/46/788620846.db2.gz FBHNWHHNNJYGPQ-UHFFFAOYSA-N 1 1 346.387 -1.367 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)CN2C(=O)CCC2=O)CC1 ZINC001284985423 788620840 /nfs/dbraw/zinc/62/08/40/788620840.db2.gz FBHNWHHNNJYGPQ-UHFFFAOYSA-N 1 1 346.387 -1.367 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001284993942 788622476 /nfs/dbraw/zinc/62/24/76/788622476.db2.gz LQHDYCNAOVHTMC-CYBMUJFWSA-N 1 1 346.387 -1.463 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CC(=O)NC2=O)CC1 ZINC001284993942 788622471 /nfs/dbraw/zinc/62/24/71/788622471.db2.gz LQHDYCNAOVHTMC-CYBMUJFWSA-N 1 1 346.387 -1.463 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001284993948 788622029 /nfs/dbraw/zinc/62/20/29/788622029.db2.gz LQHDYCNAOVHTMC-ZDUSSCGKSA-N 1 1 346.387 -1.463 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[C@H]2CC(=O)NC2=O)CC1 ZINC001284993948 788622027 /nfs/dbraw/zinc/62/20/27/788622027.db2.gz LQHDYCNAOVHTMC-ZDUSSCGKSA-N 1 1 346.387 -1.463 20 30 EAEDMO C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001284996490 788622609 /nfs/dbraw/zinc/62/26/09/788622609.db2.gz XOWVLUOUMOXHEC-UHFFFAOYSA-N 1 1 345.403 -1.165 20 30 EAEDMO C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)c2cn(C)c(=O)n2C)CC1 ZINC001284996490 788622605 /nfs/dbraw/zinc/62/26/05/788622605.db2.gz XOWVLUOUMOXHEC-UHFFFAOYSA-N 1 1 345.403 -1.165 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001285237369 788635698 /nfs/dbraw/zinc/63/56/98/788635698.db2.gz SYDDGRWECOVRGV-NEPJUHHUSA-N 1 1 333.396 -1.210 20 30 EAEDMO C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)CNC(=O)c1nnn(C)n1 ZINC001285237369 788635690 /nfs/dbraw/zinc/63/56/90/788635690.db2.gz SYDDGRWECOVRGV-NEPJUHHUSA-N 1 1 333.396 -1.210 20 30 EAEDMO C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)CNC(=O)c1nnn(C)n1 ZINC001285237370 788635955 /nfs/dbraw/zinc/63/59/55/788635955.db2.gz SYDDGRWECOVRGV-RYUDHWBXSA-N 1 1 333.396 -1.210 20 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