smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000876728655 1165902447 /nfs/dbraw/zinc/90/24/47/1165902447.db2.gz RNKLRZJVOCDGNT-LBPRGKRZSA-N 2 1 271.792 1.011 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC001635757780 1166618081 /nfs/dbraw/zinc/61/80/81/1166618081.db2.gz LOGKPYHRRYRPIP-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001570780759 1167586000 /nfs/dbraw/zinc/58/60/00/1167586000.db2.gz BTXOIOHPXXOJFJ-HUUCEWRRSA-N 2 1 279.428 1.034 10 30 CDEEMP C=C(C)C[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001566576242 1167987185 /nfs/dbraw/zinc/98/71/85/1167987185.db2.gz IGRRUXCBTRFTPB-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001566576242 1167987193 /nfs/dbraw/zinc/98/71/93/1167987193.db2.gz IGRRUXCBTRFTPB-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001566576242 1167987199 /nfs/dbraw/zinc/98/71/99/1167987199.db2.gz IGRRUXCBTRFTPB-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001566576242 1167987204 /nfs/dbraw/zinc/98/72/04/1167987204.db2.gz IGRRUXCBTRFTPB-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001565825969 1168174490 /nfs/dbraw/zinc/17/44/90/1168174490.db2.gz CJZASCMPSXWRFJ-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001566131952 1168243941 /nfs/dbraw/zinc/24/39/41/1168243941.db2.gz SVYFQIIPFXRRDS-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001566492504 1168308614 /nfs/dbraw/zinc/30/86/14/1168308614.db2.gz JVCPDHYODAZYRS-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001567350035 1168696066 /nfs/dbraw/zinc/69/60/66/1168696066.db2.gz BTSJTFUTQXYVSD-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567409768 1168741894 /nfs/dbraw/zinc/74/18/94/1168741894.db2.gz OPHPRMATTUDTII-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567409768 1168741901 /nfs/dbraw/zinc/74/19/01/1168741901.db2.gz OPHPRMATTUDTII-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567409768 1168741909 /nfs/dbraw/zinc/74/19/09/1168741909.db2.gz OPHPRMATTUDTII-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001480864914 894152401 /nfs/dbraw/zinc/15/24/01/894152401.db2.gz XYTATLOMJOJDNX-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480864914 894152405 /nfs/dbraw/zinc/15/24/05/894152405.db2.gz XYTATLOMJOJDNX-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001266493665 895051058 /nfs/dbraw/zinc/05/10/58/895051058.db2.gz AXHVUMACNLRZJU-XHSDSOJGSA-N 2 1 293.455 1.968 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266560834 895360397 /nfs/dbraw/zinc/36/03/97/895360397.db2.gz YYIWCSZTZBIGGI-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266560834 895360411 /nfs/dbraw/zinc/36/04/11/895360411.db2.gz YYIWCSZTZBIGGI-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266560834 895360426 /nfs/dbraw/zinc/36/04/26/895360426.db2.gz YYIWCSZTZBIGGI-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001266562585 895372699 /nfs/dbraw/zinc/37/26/99/895372699.db2.gz HKADQLQZEZCHER-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001266562585 895372713 /nfs/dbraw/zinc/37/27/13/895372713.db2.gz HKADQLQZEZCHER-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001266562585 895372728 /nfs/dbraw/zinc/37/27/28/895372728.db2.gz HKADQLQZEZCHER-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266793114 896056945 /nfs/dbraw/zinc/05/69/45/896056945.db2.gz HCUHOMUXRKYOKK-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266857248 896207894 /nfs/dbraw/zinc/20/78/94/896207894.db2.gz KUWADFXNSBRLGK-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001266865378 896232715 /nfs/dbraw/zinc/23/27/15/896232715.db2.gz UCBJKUSEGJBELI-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480984190 898428578 /nfs/dbraw/zinc/42/85/78/898428578.db2.gz DDJFRKDMXRLBMF-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001480984190 898428584 /nfs/dbraw/zinc/42/85/84/898428584.db2.gz DDJFRKDMXRLBMF-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480984190 898428590 /nfs/dbraw/zinc/42/85/90/898428590.db2.gz DDJFRKDMXRLBMF-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267597331 898659233 /nfs/dbraw/zinc/65/92/33/898659233.db2.gz VOHFYHTXMXBXEU-MRXNPFEDSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001481112770 898883912 /nfs/dbraw/zinc/88/39/12/898883912.db2.gz RZWDBDNNGGYATK-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481112770 898883922 /nfs/dbraw/zinc/88/39/22/898883922.db2.gz RZWDBDNNGGYATK-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481112770 898883926 /nfs/dbraw/zinc/88/39/26/898883926.db2.gz RZWDBDNNGGYATK-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001267955511 900061954 /nfs/dbraw/zinc/06/19/54/900061954.db2.gz XCJSZTLDHCYJSB-CVEARBPZSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267989087 900204781 /nfs/dbraw/zinc/20/47/81/900204781.db2.gz FPMXINSLGQWPRT-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481363792 900496269 /nfs/dbraw/zinc/49/62/69/900496269.db2.gz VBPBTFJSFNQSJD-JKSUJKDBSA-N 2 1 285.391 1.161 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001567742835 1168945041 /nfs/dbraw/zinc/94/50/41/1168945041.db2.gz VIYBOQJUCXGNOE-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001482009786 902463318 /nfs/dbraw/zinc/46/33/18/902463318.db2.gz JTXBQAWKPKSJBL-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC1 ZINC001482109178 902650882 /nfs/dbraw/zinc/65/08/82/902650882.db2.gz AOAQKVFOASTUAL-HOCLYGCPSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC1 ZINC001482109178 902650886 /nfs/dbraw/zinc/65/08/86/902650886.db2.gz AOAQKVFOASTUAL-HOCLYGCPSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001268731969 903051621 /nfs/dbraw/zinc/05/16/21/903051621.db2.gz DSKDSYHSNHVMGF-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001268731969 903051632 /nfs/dbraw/zinc/05/16/32/903051632.db2.gz DSKDSYHSNHVMGF-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001268731969 903051640 /nfs/dbraw/zinc/05/16/40/903051640.db2.gz DSKDSYHSNHVMGF-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CCCF)CC1 ZINC001268759598 903093345 /nfs/dbraw/zinc/09/33/45/903093345.db2.gz MQDUZLQXUFEEQD-AWEZNQCLSA-N 2 1 297.418 1.128 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001268769226 903102539 /nfs/dbraw/zinc/10/25/39/903102539.db2.gz CYNBDTHOKPMXCY-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001269980845 904249542 /nfs/dbraw/zinc/24/95/42/904249542.db2.gz ICGXEFZNLQGHJM-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001270021839 904280142 /nfs/dbraw/zinc/28/01/42/904280142.db2.gz JHCUILPQNJKSRR-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270624297 904836136 /nfs/dbraw/zinc/83/61/36/904836136.db2.gz OSNUQHUZWYRPFO-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001567953055 1169091148 /nfs/dbraw/zinc/09/11/48/1169091148.db2.gz PIUYWRBFDVMAKN-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001484175683 915492673 /nfs/dbraw/zinc/49/26/73/915492673.db2.gz SUMOHZHSMCAVKY-HNNXBMFYSA-N 2 1 276.384 1.357 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001485050749 916432766 /nfs/dbraw/zinc/43/27/66/916432766.db2.gz PEUJOFORKQMVAA-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001485050749 916432775 /nfs/dbraw/zinc/43/27/75/916432775.db2.gz PEUJOFORKQMVAA-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001272755430 919114358 /nfs/dbraw/zinc/11/43/58/919114358.db2.gz DMYOONSVKFJBDT-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001491120813 936858751 /nfs/dbraw/zinc/85/87/51/936858751.db2.gz QYHJQKRPJCVDHF-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491130591 936860792 /nfs/dbraw/zinc/86/07/92/936860792.db2.gz OEAGPCUTLBPGLX-OAHLLOKOSA-N 2 1 279.428 1.487 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001489327742 926870231 /nfs/dbraw/zinc/87/02/31/926870231.db2.gz GOLGDXGOUIMPMH-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001489327742 926870244 /nfs/dbraw/zinc/87/02/44/926870244.db2.gz GOLGDXGOUIMPMH-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001489327742 926870253 /nfs/dbraw/zinc/87/02/53/926870253.db2.gz GOLGDXGOUIMPMH-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001490579518 927240763 /nfs/dbraw/zinc/24/07/63/927240763.db2.gz DLVZPBSFPBNJGR-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001490579518 927240772 /nfs/dbraw/zinc/24/07/72/927240772.db2.gz DLVZPBSFPBNJGR-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001568498300 1169330161 /nfs/dbraw/zinc/33/01/61/1169330161.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 1 278.400 1.555 10 30 CDEEMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001568498300 1169330172 /nfs/dbraw/zinc/33/01/72/1169330172.db2.gz AVQBIVIPOITDJY-ZDUSSCGKSA-N 2 1 278.400 1.555 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001275114295 931668499 /nfs/dbraw/zinc/66/84/99/931668499.db2.gz HTGXWACLABEOAH-HUUCEWRRSA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001275143813 931678762 /nfs/dbraw/zinc/67/87/62/931678762.db2.gz QYSYEWSDACDIAX-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275143813 931678765 /nfs/dbraw/zinc/67/87/65/931678765.db2.gz QYSYEWSDACDIAX-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001275143813 931678768 /nfs/dbraw/zinc/67/87/68/931678768.db2.gz QYSYEWSDACDIAX-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C12CCC[NH+](CCC1)C2 ZINC001568554881 1169366202 /nfs/dbraw/zinc/36/62/02/1169366202.db2.gz YEOKVSAGYKBXGI-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001276610742 940430003 /nfs/dbraw/zinc/43/00/03/940430003.db2.gz DEPAEFCHBNUPTC-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001277258846 942252326 /nfs/dbraw/zinc/25/23/26/942252326.db2.gz CSTZEOUSCZFSOS-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001283326585 942877142 /nfs/dbraw/zinc/87/71/42/942877142.db2.gz YQGZCVYSNRDCMV-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001265072879 944220131 /nfs/dbraw/zinc/22/01/31/944220131.db2.gz INXJQGGUSURIEJ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265091248 944224995 /nfs/dbraw/zinc/22/49/95/944224995.db2.gz DEFHTAABWZULAO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265687511 944470214 /nfs/dbraw/zinc/47/02/14/944470214.db2.gz BDFZESCPMAKAMV-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001265775887 944504462 /nfs/dbraw/zinc/50/44/62/944504462.db2.gz ZVBVXCAGSWTUNW-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265923673 944577210 /nfs/dbraw/zinc/57/72/10/944577210.db2.gz USUARQPDCCHICK-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265923673 944577220 /nfs/dbraw/zinc/57/72/20/944577220.db2.gz USUARQPDCCHICK-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265923673 944577229 /nfs/dbraw/zinc/57/72/29/944577229.db2.gz USUARQPDCCHICK-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266015450 944634164 /nfs/dbraw/zinc/63/41/64/944634164.db2.gz FBFJGZQMLVKBEO-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001266183631 944738706 /nfs/dbraw/zinc/73/87/06/944738706.db2.gz LBGXPIIOVAJYQR-UHFFFAOYSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969040 971515036 /nfs/dbraw/zinc/51/50/36/971515036.db2.gz RRYJQFZHGBWBKA-CQSZACIVSA-N 2 1 277.412 1.239 10 30 CDEEMP C=C(Cl)C[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480261475 971652465 /nfs/dbraw/zinc/65/24/65/971652465.db2.gz FNIFHUXHLRTHCP-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480261475 971652468 /nfs/dbraw/zinc/65/24/68/971652468.db2.gz FNIFHUXHLRTHCP-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480299670 971662894 /nfs/dbraw/zinc/66/28/94/971662894.db2.gz GJQGJZAHKDJROD-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001480333387 971675878 /nfs/dbraw/zinc/67/58/78/971675878.db2.gz SFQHNHJHLUJPIA-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001480333387 971675881 /nfs/dbraw/zinc/67/58/81/971675881.db2.gz SFQHNHJHLUJPIA-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001480333387 971675885 /nfs/dbraw/zinc/67/58/85/971675885.db2.gz SFQHNHJHLUJPIA-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480624303 971814036 /nfs/dbraw/zinc/81/40/36/971814036.db2.gz GFRDNWSNZBDTBA-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CC1 ZINC001480771048 971873237 /nfs/dbraw/zinc/87/32/37/971873237.db2.gz NUBJOFCDEXYANO-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CC1 ZINC001480771048 971873245 /nfs/dbraw/zinc/87/32/45/971873245.db2.gz NUBJOFCDEXYANO-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001493023873 971927072 /nfs/dbraw/zinc/92/70/72/971927072.db2.gz XKDXGXZHDTYWDT-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001493023873 971927075 /nfs/dbraw/zinc/92/70/75/971927075.db2.gz XKDXGXZHDTYWDT-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001493023873 971927077 /nfs/dbraw/zinc/92/70/77/971927077.db2.gz XKDXGXZHDTYWDT-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001493083571 971942830 /nfs/dbraw/zinc/94/28/30/971942830.db2.gz JQJJRWIPVHEBAX-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001493083571 971942835 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C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001493498289 972070329 /nfs/dbraw/zinc/07/03/29/972070329.db2.gz ATPYJGOULCKCPM-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001493869494 972130881 /nfs/dbraw/zinc/13/08/81/972130881.db2.gz BCFCFQXTONZHLL-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001493869494 972130883 /nfs/dbraw/zinc/13/08/83/972130883.db2.gz BCFCFQXTONZHLL-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001493869494 972130888 /nfs/dbraw/zinc/13/08/88/972130888.db2.gz BCFCFQXTONZHLL-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494171927 972193737 /nfs/dbraw/zinc/19/37/37/972193737.db2.gz KZBZEHUOQGFOLH-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494171927 972193743 /nfs/dbraw/zinc/19/37/43/972193743.db2.gz KZBZEHUOQGFOLH-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494171927 972193747 /nfs/dbraw/zinc/19/37/47/972193747.db2.gz KZBZEHUOQGFOLH-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001331473453 957088292 /nfs/dbraw/zinc/08/82/92/957088292.db2.gz FRTMNISUPKNCRP-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001331529635 957121135 /nfs/dbraw/zinc/12/11/35/957121135.db2.gz LTCBLAPSUZXXGH-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926747 957130256 /nfs/dbraw/zinc/13/02/56/957130256.db2.gz MHXUTDYSFBTTBH-ZDUSSCGKSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001316926747 957130264 /nfs/dbraw/zinc/13/02/64/957130264.db2.gz MHXUTDYSFBTTBH-ZDUSSCGKSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001316926747 957130269 /nfs/dbraw/zinc/13/02/69/957130269.db2.gz MHXUTDYSFBTTBH-ZDUSSCGKSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001316926747 957130276 /nfs/dbraw/zinc/13/02/76/957130276.db2.gz MHXUTDYSFBTTBH-ZDUSSCGKSA-N 2 1 299.846 1.661 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317183774 957330241 /nfs/dbraw/zinc/33/02/41/957330241.db2.gz IZIYVPLTPUUUOL-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001332043720 957412798 /nfs/dbraw/zinc/41/27/98/957412798.db2.gz ASEANILTGVJPPH-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001317343818 957431764 /nfs/dbraw/zinc/43/17/64/957431764.db2.gz NJGVSCUJUFTUMB-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001332119462 957438963 /nfs/dbraw/zinc/43/89/63/957438963.db2.gz RZGKJMIVULJFLT-DOTOQJQBSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001332119462 957438968 /nfs/dbraw/zinc/43/89/68/957438968.db2.gz RZGKJMIVULJFLT-DOTOQJQBSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001332119462 957438972 /nfs/dbraw/zinc/43/89/72/957438972.db2.gz RZGKJMIVULJFLT-DOTOQJQBSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001317462890 957493069 /nfs/dbraw/zinc/49/30/69/957493069.db2.gz LOYBUMMJBUHDHN-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001317462890 957493072 /nfs/dbraw/zinc/49/30/72/957493072.db2.gz LOYBUMMJBUHDHN-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317769833 957657294 /nfs/dbraw/zinc/65/72/94/957657294.db2.gz LMLNRINOKLALIY-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317769833 957657298 /nfs/dbraw/zinc/65/72/98/957657298.db2.gz LMLNRINOKLALIY-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317769833 957657301 /nfs/dbraw/zinc/65/73/01/957657301.db2.gz LMLNRINOKLALIY-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902270 972332742 /nfs/dbraw/zinc/33/27/42/972332742.db2.gz VAKVECACABZRGG-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494902270 972332745 /nfs/dbraw/zinc/33/27/45/972332745.db2.gz VAKVECACABZRGG-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001319635476 958666015 /nfs/dbraw/zinc/66/60/15/958666015.db2.gz WHLLDGZBUXILJT-OAHLLOKOSA-N 2 1 295.471 1.718 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001368720017 959079648 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C#C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000934510806 617613404 /nfs/dbraw/zinc/61/34/04/617613404.db2.gz LOJWFXVIVCUVNQ-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000900208539 622804141 /nfs/dbraw/zinc/80/41/41/622804141.db2.gz LBJIFRPDJQZTGP-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000907976088 627944400 /nfs/dbraw/zinc/94/44/00/627944400.db2.gz RVDBUGDBMBEZJL-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000876770569 677719996 /nfs/dbraw/zinc/71/99/96/677719996.db2.gz HNHXGCDOZUGJEG-AVGNSLFASA-N 2 1 287.835 1.788 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876956439 678041640 /nfs/dbraw/zinc/04/16/40/678041640.db2.gz KDXXUPZWBADKIJ-NEPJUHHUSA-N 2 1 287.835 1.693 10 30 CDEEMP C[NH+](C)[C@@H](CNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000303265498 678076589 /nfs/dbraw/zinc/07/65/89/678076589.db2.gz UNXACRLUMYUWSF-CQSZACIVSA-N 2 1 260.385 1.226 10 30 CDEEMP N#CC1CCC(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000931067308 678450645 /nfs/dbraw/zinc/45/06/45/678450645.db2.gz PGNWOMCJJWVRQV-VMBOVVBDSA-N 2 1 291.439 1.847 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])Nc1cccc(C)c1 ZINC000104192504 678580484 /nfs/dbraw/zinc/58/04/84/678580484.db2.gz ONLUVRNSNFXROU-HNNXBMFYSA-N 2 1 290.411 1.832 10 30 CDEEMP C=CCC[C@@H](O)C[N@@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931311542 678873475 /nfs/dbraw/zinc/87/34/75/678873475.db2.gz RLHMWWVNGHPCOF-KFWWJZLASA-N 2 1 252.402 1.587 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311542 678873482 /nfs/dbraw/zinc/87/34/82/678873482.db2.gz RLHMWWVNGHPCOF-KFWWJZLASA-N 2 1 252.402 1.587 10 30 CDEEMP C=CCC[C@@H](O)C[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311542 678873485 /nfs/dbraw/zinc/87/34/85/678873485.db2.gz RLHMWWVNGHPCOF-KFWWJZLASA-N 2 1 252.402 1.587 10 30 CDEEMP CC(C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000852354447 679041353 /nfs/dbraw/zinc/04/13/53/679041353.db2.gz POIOQLUOXMFZBE-MRXNPFEDSA-N 2 1 287.407 1.840 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CCC[NH2+]1 ZINC000877248953 679077855 /nfs/dbraw/zinc/07/78/55/679077855.db2.gz GMAGLSMBVURMGP-IIAWOOMASA-N 2 1 277.412 1.237 10 30 CDEEMP C#C[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCCO1 ZINC000775350669 679448070 /nfs/dbraw/zinc/44/80/70/679448070.db2.gz POLYYJOUCVBORX-IAGOWNOFSA-N 2 1 296.374 1.846 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001691052509 1158840970 /nfs/dbraw/zinc/84/09/70/1158840970.db2.gz SGLVBPDAGVAXGO-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001691052509 1158840983 /nfs/dbraw/zinc/84/09/83/1158840983.db2.gz SGLVBPDAGVAXGO-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691052509 1158840994 /nfs/dbraw/zinc/84/09/94/1158840994.db2.gz SGLVBPDAGVAXGO-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001691082976 1158899308 /nfs/dbraw/zinc/89/93/08/1158899308.db2.gz PJDAZFAGVMJZJA-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001691082976 1158899319 /nfs/dbraw/zinc/89/93/19/1158899319.db2.gz PJDAZFAGVMJZJA-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001691082976 1158899331 /nfs/dbraw/zinc/89/93/31/1158899331.db2.gz PJDAZFAGVMJZJA-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001691213345 1158962218 /nfs/dbraw/zinc/96/22/18/1158962218.db2.gz UEQSIZOEJQSNAA-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001691213345 1158962224 /nfs/dbraw/zinc/96/22/24/1158962224.db2.gz UEQSIZOEJQSNAA-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](CCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001691213345 1158962233 /nfs/dbraw/zinc/96/22/33/1158962233.db2.gz UEQSIZOEJQSNAA-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266987932 1159069925 /nfs/dbraw/zinc/06/99/25/1159069925.db2.gz AWZHSZFIHUOCLB-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001691029347 1158611665 /nfs/dbraw/zinc/61/16/65/1158611665.db2.gz HSQWMXBSWLCHLO-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170498 1158942851 /nfs/dbraw/zinc/94/28/51/1158942851.db2.gz CNQMSXWPUCASPN-HOTGVXAUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481704301 1159886775 /nfs/dbraw/zinc/88/67/75/1159886775.db2.gz UISPJPJHVYZHHM-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001481704301 1159886782 /nfs/dbraw/zinc/88/67/82/1159886782.db2.gz UISPJPJHVYZHHM-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482923855 1160646178 /nfs/dbraw/zinc/64/61/78/1160646178.db2.gz HLXKTGZLIHUBDV-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001485611970 1161279250 /nfs/dbraw/zinc/27/92/50/1161279250.db2.gz PDEFWBFDZFUDJN-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@H](F)C2)CC1 ZINC001632863316 1166381782 /nfs/dbraw/zinc/38/17/82/1166381782.db2.gz VTXIOYBDMTZBAA-AWEZNQCLSA-N 2 1 297.418 1.577 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379922 1168720253 /nfs/dbraw/zinc/72/02/53/1168720253.db2.gz FUNHTLFBPBTNLC-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001568970150 1169567685 /nfs/dbraw/zinc/56/76/85/1169567685.db2.gz TYBOZPPNSTTYAM-SRLDXXQCSA-N 2 1 279.428 1.697 10 30 CDEEMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1CCC(C#N)CC1 ZINC001650046434 1169647313 /nfs/dbraw/zinc/64/73/13/1169647313.db2.gz BTSOIERABYXGMM-UHFFFAOYSA-N 2 1 292.471 1.886 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001660545625 1172229986 /nfs/dbraw/zinc/22/99/86/1172229986.db2.gz DCNGADGFQUZHPM-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001660545625 1172229993 /nfs/dbraw/zinc/22/99/93/1172229993.db2.gz DCNGADGFQUZHPM-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662728832 1172586822 /nfs/dbraw/zinc/58/68/22/1172586822.db2.gz SQFPSYQBPQNFFO-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662722503 1172586921 /nfs/dbraw/zinc/58/69/21/1172586921.db2.gz MZJXPVGYZHGGLV-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001664583380 1172870718 /nfs/dbraw/zinc/87/07/18/1172870718.db2.gz MELSZCJDUSUQPR-INIZCTEOSA-N 2 1 298.390 1.825 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664817035 1172914784 /nfs/dbraw/zinc/91/47/84/1172914784.db2.gz BBDWUAIGOWERNH-GJZGRUSLSA-N 2 1 281.444 1.539 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001671672039 1173702299 /nfs/dbraw/zinc/70/22/99/1173702299.db2.gz CZEIEIICOFOLGD-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001677448703 1174361778 /nfs/dbraw/zinc/36/17/78/1174361778.db2.gz SNHRPXLIGVBYQD-OFLPRAFFSA-N 2 1 299.418 1.502 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001689366190 1175153838 /nfs/dbraw/zinc/15/38/38/1175153838.db2.gz YPWBPAMHYHEDDY-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001689366190 1175153850 /nfs/dbraw/zinc/15/38/50/1175153850.db2.gz YPWBPAMHYHEDDY-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001689366190 1175153857 /nfs/dbraw/zinc/15/38/57/1175153857.db2.gz YPWBPAMHYHEDDY-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001690584613 1175513007 /nfs/dbraw/zinc/51/30/07/1175513007.db2.gz PQJHZXJMNBVMEJ-GDBMZVCRSA-N 2 1 291.439 1.511 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001690862651 1175594180 /nfs/dbraw/zinc/59/41/80/1175594180.db2.gz KKBKJPGUQSYLNY-CQSZACIVSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001698588949 1175859024 /nfs/dbraw/zinc/85/90/24/1175859024.db2.gz XAOMJZAPFYRPPJ-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001698646856 1175885659 /nfs/dbraw/zinc/88/56/59/1175885659.db2.gz STWZCHRUYFRVPH-INIZCTEOSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700440784 1176930755 /nfs/dbraw/zinc/93/07/55/1176930755.db2.gz YDNLCFVZUKLSBM-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001700486176 1176976519 /nfs/dbraw/zinc/97/65/19/1176976519.db2.gz CQDREKVSJUTQPL-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700486176 1176976522 /nfs/dbraw/zinc/97/65/22/1176976522.db2.gz CQDREKVSJUTQPL-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700486176 1176976530 /nfs/dbraw/zinc/97/65/30/1176976530.db2.gz CQDREKVSJUTQPL-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001700488541 1176978195 /nfs/dbraw/zinc/97/81/95/1176978195.db2.gz ACFRVRPYRIGRBH-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001700488541 1176978201 /nfs/dbraw/zinc/97/82/01/1176978201.db2.gz ACFRVRPYRIGRBH-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001700520777 1176993493 /nfs/dbraw/zinc/99/34/93/1176993493.db2.gz PXGUPNHWYGXLDA-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001700769049 1177122806 /nfs/dbraw/zinc/12/28/06/1177122806.db2.gz VNLNHYKIXQLSGR-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+]1CC=C(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001701062558 1177260090 /nfs/dbraw/zinc/26/00/90/1177260090.db2.gz FWCFIGQGGUZVMZ-GASCZTMLSA-N 2 1 291.439 1.794 10 30 CDEEMP C=CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001701062558 1177260095 /nfs/dbraw/zinc/26/00/95/1177260095.db2.gz FWCFIGQGGUZVMZ-GASCZTMLSA-N 2 1 291.439 1.794 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001701062558 1177260098 /nfs/dbraw/zinc/26/00/98/1177260098.db2.gz FWCFIGQGGUZVMZ-GASCZTMLSA-N 2 1 291.439 1.794 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001707108187 1177952400 /nfs/dbraw/zinc/95/24/00/1177952400.db2.gz RIFQXFJYWKLNOP-ARFHVFGLSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713202847 1178429974 /nfs/dbraw/zinc/42/99/74/1178429974.db2.gz SNDDMIBYOWQFNG-XHSDSOJGSA-N 2 1 291.439 1.509 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001713219647 1178438770 /nfs/dbraw/zinc/43/87/70/1178438770.db2.gz UTHWLTZQKRJKMO-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713220423 1178439235 /nfs/dbraw/zinc/43/92/35/1178439235.db2.gz KVUDCCLRXVTUEK-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220423 1178439240 /nfs/dbraw/zinc/43/92/40/1178439240.db2.gz KVUDCCLRXVTUEK-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220423 1178439244 /nfs/dbraw/zinc/43/92/44/1178439244.db2.gz KVUDCCLRXVTUEK-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713542050 1178635434 /nfs/dbraw/zinc/63/54/34/1178635434.db2.gz PTIWQTCGJLEOGT-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001713542050 1178635437 /nfs/dbraw/zinc/63/54/37/1178635437.db2.gz PTIWQTCGJLEOGT-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001713542050 1178635441 /nfs/dbraw/zinc/63/54/41/1178635441.db2.gz PTIWQTCGJLEOGT-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713787567 1178753381 /nfs/dbraw/zinc/75/33/81/1178753381.db2.gz VPGJSMUXPPHUIC-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713906168 1178833662 /nfs/dbraw/zinc/83/36/62/1178833662.db2.gz LHZBPNTVOKPRKX-HNNXBMFYSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714046599 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CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485075199 916471291 /nfs/dbraw/zinc/47/12/91/916471291.db2.gz BEGMZXQQIPMKBT-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001485195130 916658065 /nfs/dbraw/zinc/65/80/65/916658065.db2.gz RZVNPOPYRSFFRK-KGLIPLIRSA-N 2 1 281.444 1.470 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494073134 917254416 /nfs/dbraw/zinc/25/44/16/917254416.db2.gz ICIGLPOPXVQSMY-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494073134 917254431 /nfs/dbraw/zinc/25/44/31/917254431.db2.gz ICIGLPOPXVQSMY-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001494073134 917254435 /nfs/dbraw/zinc/25/44/35/917254435.db2.gz ICIGLPOPXVQSMY-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272913675 920029255 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10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865686 956773752 /nfs/dbraw/zinc/77/37/52/956773752.db2.gz PSZKTQZXJTUEHW-LBPRGKRZSA-N 2 1 273.808 1.129 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865686 956773761 /nfs/dbraw/zinc/77/37/61/956773761.db2.gz PSZKTQZXJTUEHW-LBPRGKRZSA-N 2 1 273.808 1.129 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865686 956773768 /nfs/dbraw/zinc/77/37/68/956773768.db2.gz PSZKTQZXJTUEHW-LBPRGKRZSA-N 2 1 273.808 1.129 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001316865686 956773747 /nfs/dbraw/zinc/77/37/47/956773747.db2.gz PSZKTQZXJTUEHW-LBPRGKRZSA-N 2 1 273.808 1.129 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001569258070 1169738699 /nfs/dbraw/zinc/73/86/99/1169738699.db2.gz PYGCLZXPULIZCG-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317100470 957269426 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CDEEMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317414960 957461532 /nfs/dbraw/zinc/46/15/32/957461532.db2.gz GEXZYSSSBCGCCW-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317423049 957464436 /nfs/dbraw/zinc/46/44/36/957464436.db2.gz JBFBHKFJHFNNOQ-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317446016 957479167 /nfs/dbraw/zinc/47/91/67/957479167.db2.gz RCGIGAKVXCPOPE-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317446016 957479169 /nfs/dbraw/zinc/47/91/69/957479169.db2.gz RCGIGAKVXCPOPE-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317507643 957517945 /nfs/dbraw/zinc/51/79/45/957517945.db2.gz DFDQLLFOFJICCK-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001332881004 957913228 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CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321084007 959583499 /nfs/dbraw/zinc/58/34/99/959583499.db2.gz NESJOYLXUCUSHR-IYKSTZQJSA-N 2 1 279.428 1.699 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001322243181 960149604 /nfs/dbraw/zinc/14/96/04/960149604.db2.gz CMQVHDATJUCONY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001322243181 960149611 /nfs/dbraw/zinc/14/96/11/960149611.db2.gz CMQVHDATJUCONY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001322243181 960149617 /nfs/dbraw/zinc/14/96/17/960149617.db2.gz CMQVHDATJUCONY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001323280012 960604328 /nfs/dbraw/zinc/60/43/28/960604328.db2.gz XARRMMNKRDTPJM-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001323280012 960604340 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CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001420568672 963071173 /nfs/dbraw/zinc/07/11/73/963071173.db2.gz WEUYKCNWHUPDMG-KGLIPLIRSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001420568672 963071182 /nfs/dbraw/zinc/07/11/82/963071182.db2.gz WEUYKCNWHUPDMG-KGLIPLIRSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448773485 967250518 /nfs/dbraw/zinc/25/05/18/967250518.db2.gz OUHFXBDDVQQDIL-CHWSQXEVSA-N 2 1 287.835 1.517 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001496144319 972812850 /nfs/dbraw/zinc/81/28/50/972812850.db2.gz HDEZTXZLNDQROI-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC001496299782 972879551 /nfs/dbraw/zinc/87/95/51/972879551.db2.gz FKUIWOIHZPCBEZ-AWEZNQCLSA-N 2 1 267.417 1.080 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497222280 973251573 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C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[N@H+](C)CC)CC1 ZINC001501188173 974546074 /nfs/dbraw/zinc/54/60/74/974546074.db2.gz DILABACAWKBONR-WKILWMFISA-N 2 1 293.455 1.474 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001501638448 974615394 /nfs/dbraw/zinc/61/53/94/974615394.db2.gz WSPQLDGSPPGZOL-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001502831822 974792776 /nfs/dbraw/zinc/79/27/76/974792776.db2.gz FYHQFJRAVOLJGF-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001503023146 974810160 /nfs/dbraw/zinc/81/01/60/974810160.db2.gz KVUWIGSHKXPBND-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503023146 974810164 /nfs/dbraw/zinc/81/01/64/974810164.db2.gz KVUWIGSHKXPBND-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503023146 974810170 /nfs/dbraw/zinc/81/01/70/974810170.db2.gz KVUWIGSHKXPBND-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC(=C)C ZINC001505938194 975051352 /nfs/dbraw/zinc/05/13/52/975051352.db2.gz UTYSZVBIKRGORQ-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC(=C)C ZINC001505938194 975051355 /nfs/dbraw/zinc/05/13/55/975051355.db2.gz UTYSZVBIKRGORQ-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC(=C)C ZINC001505938194 975051358 /nfs/dbraw/zinc/05/13/58/975051358.db2.gz UTYSZVBIKRGORQ-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCC(=C)C ZINC001505938194 975051363 /nfs/dbraw/zinc/05/13/63/975051363.db2.gz UTYSZVBIKRGORQ-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCC(=C)C ZINC001505938194 975051366 /nfs/dbraw/zinc/05/13/66/975051366.db2.gz UTYSZVBIKRGORQ-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001379326356 975769015 /nfs/dbraw/zinc/76/90/15/975769015.db2.gz IFHRMZOLIRXIJQ-GFCCVEGCSA-N 2 1 275.824 1.516 10 30 CDEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001675139543 1174079913 /nfs/dbraw/zinc/07/99/13/1174079913.db2.gz FMUIXARKDDYLBU-HZPDHXFCSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001675343756 1174104190 /nfs/dbraw/zinc/10/41/90/1174104190.db2.gz UZFGPJZBGSEMAU-AWEZNQCLSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001676222571 1174194398 /nfs/dbraw/zinc/19/43/98/1174194398.db2.gz UPGPBEIQKBKKKZ-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001570363543 1170143301 /nfs/dbraw/zinc/14/33/01/1170143301.db2.gz CRIKZZUCFXMQTD-UONOGXRCSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534306 1170182106 /nfs/dbraw/zinc/18/21/06/1170182106.db2.gz GTHHXLWHCIISLC-LSDHHAIUSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001571023431 1170329987 /nfs/dbraw/zinc/32/99/87/1170329987.db2.gz QKCHDNVCZCAOBP-JYJNAYRXSA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001571023431 1170329995 /nfs/dbraw/zinc/32/99/95/1170329995.db2.gz QKCHDNVCZCAOBP-JYJNAYRXSA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001571023431 1170330000 /nfs/dbraw/zinc/33/00/00/1170330000.db2.gz QKCHDNVCZCAOBP-JYJNAYRXSA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001571324038 1170364400 /nfs/dbraw/zinc/36/44/00/1170364400.db2.gz XPISDKCVWXORNB-RDJZCZTQSA-N 2 1 293.455 1.923 10 30 CDEEMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594442003 342907681 /nfs/dbraw/zinc/90/76/81/342907681.db2.gz ZJEOYSSMVRPJDN-GXTWGEPZSA-N 2 1 291.399 1.355 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cnc(C#N)cn1 ZINC000596361978 343310911 /nfs/dbraw/zinc/31/09/11/343310911.db2.gz WZRYSZDATBHRDX-LBPRGKRZSA-N 2 1 276.388 1.032 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cnc(C#N)cn1 ZINC000596361978 343310913 /nfs/dbraw/zinc/31/09/13/343310913.db2.gz WZRYSZDATBHRDX-LBPRGKRZSA-N 2 1 276.388 1.032 10 30 CDEEMP CC(C)(CCC#N)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000597235196 343490487 /nfs/dbraw/zinc/49/04/87/343490487.db2.gz FUKPKLXSHGJKPY-HNNXBMFYSA-N 2 1 279.428 1.847 10 30 CDEEMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000602956488 344672479 /nfs/dbraw/zinc/67/24/79/344672479.db2.gz RQDRBNFCJAUXSE-HNNXBMFYSA-N 2 1 291.439 1.991 10 30 CDEEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CCN1C ZINC000092799320 378002226 /nfs/dbraw/zinc/00/22/26/378002226.db2.gz UHGVQDMGUGZIPT-KBPBESRZSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@@H+]1C ZINC000092799320 378002230 /nfs/dbraw/zinc/00/22/30/378002230.db2.gz UHGVQDMGUGZIPT-KBPBESRZSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@H+]1C ZINC000092799320 378002236 /nfs/dbraw/zinc/00/22/36/378002236.db2.gz UHGVQDMGUGZIPT-KBPBESRZSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1C ZINC000092799320 378002241 /nfs/dbraw/zinc/00/22/41/378002241.db2.gz UHGVQDMGUGZIPT-KBPBESRZSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1C ZINC000092799320 378002248 /nfs/dbraw/zinc/00/22/48/378002248.db2.gz UHGVQDMGUGZIPT-KBPBESRZSA-N 2 1 280.416 1.163 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663664954 1172745004 /nfs/dbraw/zinc/74/50/04/1172745004.db2.gz WBZNUIYSMGLILA-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001663664954 1172745008 /nfs/dbraw/zinc/74/50/08/1172745008.db2.gz WBZNUIYSMGLILA-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663664954 1172745010 /nfs/dbraw/zinc/74/50/10/1172745010.db2.gz WBZNUIYSMGLILA-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684835 397897271 /nfs/dbraw/zinc/89/72/71/397897271.db2.gz DGBNVMRQLNAODS-UHFFFAOYSA-N 2 1 253.390 1.049 10 30 CDEEMP C=CCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684835 397897272 /nfs/dbraw/zinc/89/72/72/397897272.db2.gz DGBNVMRQLNAODS-UHFFFAOYSA-N 2 1 253.390 1.049 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001664186066 1172822131 /nfs/dbraw/zinc/82/21/31/1172822131.db2.gz JJNIMBJZVFMNHQ-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C=CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)COC ZINC000662298812 414623943 /nfs/dbraw/zinc/62/39/43/414623943.db2.gz HGHLBZRZHKHBJE-OLZOCXBDSA-N 2 1 254.374 1.030 10 30 CDEEMP NC(=O)C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C1CCCC1 ZINC000043684133 175092735 /nfs/dbraw/zinc/09/27/35/175092735.db2.gz LCBVXHXOAHOFJM-UHFFFAOYSA-N 2 1 291.420 1.288 10 30 CDEEMP C[N@H+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190480 176066555 /nfs/dbraw/zinc/06/65/55/176066555.db2.gz UOYYQEMMKQSZPR-QGZVFWFLSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190480 176066556 /nfs/dbraw/zinc/06/65/56/176066556.db2.gz UOYYQEMMKQSZPR-QGZVFWFLSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190480 176066557 /nfs/dbraw/zinc/06/65/57/176066557.db2.gz UOYYQEMMKQSZPR-QGZVFWFLSA-N 3 1 271.408 1.380 10 30 CDEEMP CN(Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190480 176066558 /nfs/dbraw/zinc/06/65/58/176066558.db2.gz UOYYQEMMKQSZPR-QGZVFWFLSA-N 2 1 271.408 1.380 10 30 CDEEMP CN(Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190480 176066559 /nfs/dbraw/zinc/06/65/59/176066559.db2.gz UOYYQEMMKQSZPR-QGZVFWFLSA-N 2 1 271.408 1.380 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001666558344 1173152297 /nfs/dbraw/zinc/15/22/97/1173152297.db2.gz NHYZAJUMABQVPQ-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP CN(C)C(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162455976 262330123 /nfs/dbraw/zinc/33/01/23/262330123.db2.gz PNCQUUBPTDAKGC-INIZCTEOSA-N 2 1 274.412 1.917 10 30 CDEEMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291938 423919887 /nfs/dbraw/zinc/91/98/87/423919887.db2.gz ATGPHWHNLGPFKI-JKSUJKDBSA-N 2 1 291.439 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669677735 1173583801 /nfs/dbraw/zinc/58/38/01/1173583801.db2.gz BXZWALUCUASSIZ-ZDUSSCGKSA-N 2 1 276.384 1.124 10 30 CDEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001671912391 1173722582 /nfs/dbraw/zinc/72/25/82/1173722582.db2.gz MSJXFYDEUYBUNM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001671912391 1173722588 /nfs/dbraw/zinc/72/25/88/1173722588.db2.gz MSJXFYDEUYBUNM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001671912391 1173722593 /nfs/dbraw/zinc/72/25/93/1173722593.db2.gz MSJXFYDEUYBUNM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CCC[N@@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000188316368 329366164 /nfs/dbraw/zinc/36/61/64/329366164.db2.gz NMCHDNOLEXCCGH-SFHVURJKSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188316368 329366167 /nfs/dbraw/zinc/36/61/67/329366167.db2.gz NMCHDNOLEXCCGH-SFHVURJKSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188316368 329366168 /nfs/dbraw/zinc/36/61/68/329366168.db2.gz NMCHDNOLEXCCGH-SFHVURJKSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188316368 329366169 /nfs/dbraw/zinc/36/61/69/329366169.db2.gz NMCHDNOLEXCCGH-SFHVURJKSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188316368 329366170 /nfs/dbraw/zinc/36/61/70/329366170.db2.gz NMCHDNOLEXCCGH-SFHVURJKSA-N 2 1 286.419 1.969 10 30 CDEEMP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261889091 329988082 /nfs/dbraw/zinc/98/80/82/329988082.db2.gz GGPFSYHQCGSFCQ-MCIONIFRSA-N 2 1 270.442 1.652 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262852470 330035329 /nfs/dbraw/zinc/03/53/29/330035329.db2.gz XETGDPHGDDHXPA-KGLIPLIRSA-N 2 1 294.443 1.192 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001483337629 1160907292 /nfs/dbraw/zinc/90/72/92/1160907292.db2.gz MVNAARJTTHETAG-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483337629 1160907297 /nfs/dbraw/zinc/90/72/97/1160907297.db2.gz MVNAARJTTHETAG-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483337629 1160907302 /nfs/dbraw/zinc/90/73/02/1160907302.db2.gz MVNAARJTTHETAG-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000742721124 576614074 /nfs/dbraw/zinc/61/40/74/576614074.db2.gz WUEZLFAGNDXSBZ-UYTSQGDYSA-N 2 1 289.423 1.216 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000742721124 576614076 /nfs/dbraw/zinc/61/40/76/576614076.db2.gz WUEZLFAGNDXSBZ-UYTSQGDYSA-N 2 1 289.423 1.216 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000742721124 576614078 /nfs/dbraw/zinc/61/40/78/576614078.db2.gz WUEZLFAGNDXSBZ-UYTSQGDYSA-N 2 1 289.423 1.216 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000742721124 576614081 /nfs/dbraw/zinc/61/40/81/576614081.db2.gz WUEZLFAGNDXSBZ-UYTSQGDYSA-N 2 1 289.423 1.216 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000742721124 576614084 /nfs/dbraw/zinc/61/40/84/576614084.db2.gz WUEZLFAGNDXSBZ-UYTSQGDYSA-N 2 1 289.423 1.216 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690199568 1175401566 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/nfs/dbraw/zinc/50/66/94/1158506694.db2.gz BPYOTVTZJJGSSD-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001772513975 1158528893 /nfs/dbraw/zinc/52/88/93/1158528893.db2.gz AKWLAQYVSZUXSO-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260559 681191856 /nfs/dbraw/zinc/19/18/56/681191856.db2.gz QCRLJFQFMDXLQH-ZFWWWQNUSA-N 2 1 261.369 1.529 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262005953 682658236 /nfs/dbraw/zinc/65/82/36/682658236.db2.gz VPNDXRQZRFGJNK-BARDWOONSA-N 2 1 296.459 1.041 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703920 683111135 /nfs/dbraw/zinc/11/11/35/683111135.db2.gz QDONDZBIKVAONK-QGZVFWFLSA-N 2 1 293.455 1.884 10 30 CDEEMP CC(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000303785210 683327023 /nfs/dbraw/zinc/32/70/23/683327023.db2.gz QDCQXUHZBOEYPQ-UHFFFAOYSA-N 2 1 290.411 1.332 10 30 CDEEMP C[C@@H]1C[NH+]=C(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)N1 ZINC000262681314 683395245 /nfs/dbraw/zinc/39/52/45/683395245.db2.gz WJPXFWFXZSNADA-RHSMWYFYSA-N 2 1 286.423 1.978 10 30 CDEEMP C=CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878914385 683852109 /nfs/dbraw/zinc/85/21/09/683852109.db2.gz CAYRERBFNYXOLV-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000926489757 683943451 /nfs/dbraw/zinc/94/34/51/683943451.db2.gz JCZUQBCCDZWVLI-JKSUJKDBSA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CCC1)[C@H]1CCOC1 ZINC000926489757 683943452 /nfs/dbraw/zinc/94/34/52/683943452.db2.gz JCZUQBCCDZWVLI-JKSUJKDBSA-N 2 1 264.413 1.736 10 30 CDEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)NC1CC1 ZINC000849046846 684052359 /nfs/dbraw/zinc/05/23/59/684052359.db2.gz XOZHRZRGKUKRID-ZBFHGGJFSA-N 2 1 286.423 1.659 10 30 CDEEMP CN(Cc1cncc(C#N)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000721605475 684062078 /nfs/dbraw/zinc/06/20/78/684062078.db2.gz LSMOLEACHTVRTD-CYBMUJFWSA-N 2 1 258.369 1.727 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001691365196 1159035353 /nfs/dbraw/zinc/03/53/53/1159035353.db2.gz RNLWGHKIYXGTGJ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001772513974 1158529349 /nfs/dbraw/zinc/52/93/49/1158529349.db2.gz AKWLAQYVSZUXSO-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC001263275046 1167442365 /nfs/dbraw/zinc/44/23/65/1167442365.db2.gz UESFOAOYEHSZDR-WDEREUQCSA-N 2 1 259.781 1.057 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001566860327 1168447172 /nfs/dbraw/zinc/44/71/72/1168447172.db2.gz VXPBMZLGBHAZOH-BBWFWOEESA-N 2 1 299.418 1.549 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001567660590 1168906931 /nfs/dbraw/zinc/90/69/31/1168906931.db2.gz DWSLGKIDJNLKMT-DLBZAZTESA-N 2 1 299.418 1.551 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567714561 1168933164 /nfs/dbraw/zinc/93/31/64/1168933164.db2.gz OFOSRUWPRXHBHM-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567714561 1168933174 /nfs/dbraw/zinc/93/31/74/1168933174.db2.gz OFOSRUWPRXHBHM-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567714561 1168933185 /nfs/dbraw/zinc/93/31/85/1168933185.db2.gz OFOSRUWPRXHBHM-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001567921398 1169072667 /nfs/dbraw/zinc/07/26/67/1169072667.db2.gz WYKQWEXLWPQHHS-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC=C ZINC001569121619 1169667475 /nfs/dbraw/zinc/66/74/75/1169667475.db2.gz LYNWLEUSEYCISL-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCC=C ZINC001569121619 1169667483 /nfs/dbraw/zinc/66/74/83/1169667483.db2.gz LYNWLEUSEYCISL-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC=C ZINC001569121619 1169667489 /nfs/dbraw/zinc/66/74/89/1169667489.db2.gz LYNWLEUSEYCISL-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC=C ZINC001569121619 1169667495 /nfs/dbraw/zinc/66/74/95/1169667495.db2.gz LYNWLEUSEYCISL-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC2CC2)CC1 ZINC001569152634 1169693539 /nfs/dbraw/zinc/69/35/39/1169693539.db2.gz FUKHYUHSFJCVEY-CQSZACIVSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001571466465 1170440967 /nfs/dbraw/zinc/44/09/67/1170440967.db2.gz VRPYRLNFHRPJKK-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC001587293722 1172980479 /nfs/dbraw/zinc/98/04/79/1172980479.db2.gz JAWKEVDCFOYQLR-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001665362579 1172986149 /nfs/dbraw/zinc/98/61/49/1172986149.db2.gz FBMANRJXOGERTH-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001673993317 1173905099 /nfs/dbraw/zinc/90/50/99/1173905099.db2.gz ISCNIKNOIFJYHP-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001674735165 1174001282 /nfs/dbraw/zinc/00/12/82/1174001282.db2.gz OFDXFDHFEHPBNL-QWHCGFSZSA-N 2 1 276.384 1.123 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001689110073 1175098512 /nfs/dbraw/zinc/09/85/12/1175098512.db2.gz FLBAQGJJIVKYQA-PMPSAXMXSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690574548 1175509272 /nfs/dbraw/zinc/50/92/72/1175509272.db2.gz CKYCWCVDJYQWBQ-STQMWFEESA-N 2 1 253.390 1.140 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690818237 1175581207 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281.444 1.826 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001264733500 944170746 /nfs/dbraw/zinc/17/07/46/944170746.db2.gz FAAORKGMDQKVOV-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264733500 944170748 /nfs/dbraw/zinc/17/07/48/944170748.db2.gz FAAORKGMDQKVOV-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264733500 944170749 /nfs/dbraw/zinc/17/07/49/944170749.db2.gz FAAORKGMDQKVOV-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265230902 944286846 /nfs/dbraw/zinc/28/68/46/944286846.db2.gz NVUFWHHXHQTILV-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001265553782 944427523 /nfs/dbraw/zinc/42/75/23/944427523.db2.gz BXBMLAZOZRRDTH-OAGGEKHMSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C 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CIMDPMQPGGNYRI-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001479846819 971450987 /nfs/dbraw/zinc/45/09/87/971450987.db2.gz CIMDPMQPGGNYRI-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001479913877 971485674 /nfs/dbraw/zinc/48/56/74/971485674.db2.gz XBARQJLQZLZWTM-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480255211 971650198 /nfs/dbraw/zinc/65/01/98/971650198.db2.gz RNVORGAJDWWNBQ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480255211 971650203 /nfs/dbraw/zinc/65/02/03/971650203.db2.gz RNVORGAJDWWNBQ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480255211 971650205 /nfs/dbraw/zinc/65/02/05/971650205.db2.gz RNVORGAJDWWNBQ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480679602 971835472 /nfs/dbraw/zinc/83/54/72/971835472.db2.gz PLFYYIYTRKZQQB-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001480768332 971871111 /nfs/dbraw/zinc/87/11/11/971871111.db2.gz GPYNUZMSKZSLJM-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001324675773 953510346 /nfs/dbraw/zinc/51/03/46/953510346.db2.gz ZRGLJWIOVYEDDG-MRXNPFEDSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001325597781 953979412 /nfs/dbraw/zinc/97/94/12/953979412.db2.gz GDMJDZJTSCFKBI-CVEARBPZSA-N 2 1 295.471 1.977 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001326317019 954316958 /nfs/dbraw/zinc/31/69/58/954316958.db2.gz KRYYKVJYPHGGNF-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001293716190 954404418 /nfs/dbraw/zinc/40/44/18/954404418.db2.gz UZQDOPGRFIXPRQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001293716190 954404421 /nfs/dbraw/zinc/40/44/21/954404421.db2.gz UZQDOPGRFIXPRQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001293716190 954404428 /nfs/dbraw/zinc/40/44/28/954404428.db2.gz UZQDOPGRFIXPRQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001293716190 954404433 /nfs/dbraw/zinc/40/44/33/954404433.db2.gz UZQDOPGRFIXPRQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001328278047 955249200 /nfs/dbraw/zinc/24/92/00/955249200.db2.gz GURFNOLYXMGPAG-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421752084 955523376 /nfs/dbraw/zinc/52/33/76/955523376.db2.gz FHFOIHSMCJPXIY-AAEUAGOBSA-N 2 1 287.835 1.423 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001491934216 955534862 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C=CCOc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358151660 367471788 /nfs/dbraw/zinc/47/17/88/367471788.db2.gz BRSFTZANURVAAB-MRXNPFEDSA-N 2 1 276.380 1.408 10 30 CDEEMP C#CCSCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000375840379 391201093 /nfs/dbraw/zinc/20/10/93/391201093.db2.gz PCCDEKRQWAPDJO-MGPQQGTHSA-N 2 1 252.427 1.815 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665681493 1173035725 /nfs/dbraw/zinc/03/57/25/1173035725.db2.gz HZRWMSZSDHLCSC-ZIAGYGMSSA-N 2 1 267.417 1.291 10 30 CDEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CCCO1 ZINC000043688983 175095437 /nfs/dbraw/zinc/09/54/37/175095437.db2.gz GDAZMZVRJKGPTA-CYBMUJFWSA-N 2 1 264.394 1.669 10 30 CDEEMP C[N@@H+](Cc1ccc(F)c(C#CCO)c1)C[C@H]1CC[NH+](C)C1 ZINC000071190507 176066205 /nfs/dbraw/zinc/06/62/05/176066205.db2.gz OYHVQFKAUVMOIQ-HNNXBMFYSA-N 2 1 290.382 1.553 10 30 CDEEMP C[N@H+](Cc1ccc(F)c(C#CCO)c1)C[C@H]1CC[NH+](C)C1 ZINC000071190507 176066206 /nfs/dbraw/zinc/06/62/06/176066206.db2.gz OYHVQFKAUVMOIQ-HNNXBMFYSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)c(C#CCO)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190507 176066208 /nfs/dbraw/zinc/06/62/08/176066208.db2.gz OYHVQFKAUVMOIQ-HNNXBMFYSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)c(C#CCO)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190507 176066209 /nfs/dbraw/zinc/06/62/09/176066209.db2.gz OYHVQFKAUVMOIQ-HNNXBMFYSA-N 2 1 290.382 1.553 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001666673535 1173169400 /nfs/dbraw/zinc/16/94/00/1173169400.db2.gz QASMPZCTZPADAP-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001673483237 1173862988 /nfs/dbraw/zinc/86/29/88/1173862988.db2.gz NEGYBLODPWSEBA-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001673483237 1173862995 /nfs/dbraw/zinc/86/29/95/1173862995.db2.gz NEGYBLODPWSEBA-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001673483237 1173863002 /nfs/dbraw/zinc/86/30/02/1173863002.db2.gz NEGYBLODPWSEBA-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000183674860 329251844 /nfs/dbraw/zinc/25/18/44/329251844.db2.gz ATJMRZQZCHIENW-LBPRGKRZSA-N 2 1 297.362 1.471 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262473026 330015817 /nfs/dbraw/zinc/01/58/17/330015817.db2.gz BQFYQZINWIGTDY-QWHCGFSZSA-N 2 1 252.406 1.434 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262491858 330017400 /nfs/dbraw/zinc/01/74/00/330017400.db2.gz JKPJTJZFDPBZOT-XLNGHYISSA-N 2 1 298.434 1.713 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001672537489 1159752103 /nfs/dbraw/zinc/75/21/03/1159752103.db2.gz IKVGGUYIOQHMBL-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001672537489 1159752105 /nfs/dbraw/zinc/75/21/05/1159752105.db2.gz IKVGGUYIOQHMBL-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001672537489 1159752107 /nfs/dbraw/zinc/75/21/07/1159752107.db2.gz IKVGGUYIOQHMBL-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691845620 1161490367 /nfs/dbraw/zinc/49/03/67/1161490367.db2.gz HXDLEPOLRHTBHS-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691845620 1161490371 /nfs/dbraw/zinc/49/03/71/1161490371.db2.gz HXDLEPOLRHTBHS-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001691845620 1161490373 /nfs/dbraw/zinc/49/03/73/1161490373.db2.gz HXDLEPOLRHTBHS-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714054551 1178950126 /nfs/dbraw/zinc/95/01/26/1178950126.db2.gz XAMBREVXCJQZNY-AWEZNQCLSA-N 2 1 265.401 1.191 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490475 1180704278 /nfs/dbraw/zinc/70/42/78/1180704278.db2.gz NTWUXHGOKZYOCU-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC(C)N[C@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616313 519739294 /nfs/dbraw/zinc/73/92/94/519739294.db2.gz JLHFNHVMLRTBMY-OAGGEKHMSA-N 2 1 280.460 1.929 10 30 CDEEMP CC(C)N[C@](C)(C#N)C[C@@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616313 519739295 /nfs/dbraw/zinc/73/92/95/519739295.db2.gz JLHFNHVMLRTBMY-OAGGEKHMSA-N 2 1 280.460 1.929 10 30 CDEEMP CC(C)N[C@](C)(C#N)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000068616313 519739297 /nfs/dbraw/zinc/73/92/97/519739297.db2.gz JLHFNHVMLRTBMY-OAGGEKHMSA-N 2 1 280.460 1.929 10 30 CDEEMP CC(C)N[C@](C)(C#N)C[C@@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000068616313 519739298 /nfs/dbraw/zinc/73/92/98/519739298.db2.gz JLHFNHVMLRTBMY-OAGGEKHMSA-N 2 1 280.460 1.929 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001688916686 1175067406 /nfs/dbraw/zinc/06/74/06/1175067406.db2.gz PDMFCTZTGSZRSS-KFWWJZLASA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843111 613784107 /nfs/dbraw/zinc/78/41/07/613784107.db2.gz XGVYHMRFFSENNV-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843111 613784109 /nfs/dbraw/zinc/78/41/09/613784109.db2.gz XGVYHMRFFSENNV-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843111 613784112 /nfs/dbraw/zinc/78/41/12/613784112.db2.gz XGVYHMRFFSENNV-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000900936906 623692638 /nfs/dbraw/zinc/69/26/38/623692638.db2.gz JCSLORMCROSWHJ-UHFFFAOYSA-N 2 1 290.411 1.816 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000901027633 623820260 /nfs/dbraw/zinc/82/02/60/623820260.db2.gz WPPHKEBHQUIMPV-OCCSQVGLSA-N 2 1 265.401 1.093 10 30 CDEEMP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000905449028 626810784 /nfs/dbraw/zinc/81/07/84/626810784.db2.gz CMPIJTDUXBBRTN-IAGOWNOFSA-N 2 1 292.423 1.396 10 30 CDEEMP C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000905449028 626810786 /nfs/dbraw/zinc/81/07/86/626810786.db2.gz CMPIJTDUXBBRTN-IAGOWNOFSA-N 2 1 292.423 1.396 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+]1CCOC(C)(C)C1 ZINC000907835973 627853942 /nfs/dbraw/zinc/85/39/42/627853942.db2.gz LIKIRCUPBJIYFA-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+]1CCOC(C)(C)C1 ZINC000907835973 627853946 /nfs/dbraw/zinc/85/39/46/627853946.db2.gz LIKIRCUPBJIYFA-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874844815 685336440 /nfs/dbraw/zinc/33/64/40/685336440.db2.gz TYRDHBACQPWAKR-JKSUJKDBSA-N 2 1 289.423 1.027 10 30 CDEEMP CN(C)C(=[NH+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)N(C)C ZINC000849046344 685473829 /nfs/dbraw/zinc/47/38/29/685473829.db2.gz QKBUTANYYDIDTM-CVEARBPZSA-N 2 1 288.439 1.811 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC1CC[NH+](C)CC1 ZINC000878992003 684868965 /nfs/dbraw/zinc/86/89/65/684868965.db2.gz QXNHOQCDGPJDDZ-GASCZTMLSA-N 2 1 277.412 1.380 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000871153015 684888932 /nfs/dbraw/zinc/88/89/32/684888932.db2.gz COTXSQOGUTURSG-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261941709 686850330 /nfs/dbraw/zinc/85/03/30/686850330.db2.gz DRDOTZBYDKVKBI-ZQDZILKHSA-N 2 1 280.460 1.926 10 30 CDEEMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000933266632 687757552 /nfs/dbraw/zinc/75/75/52/687757552.db2.gz XKJPTOPEDSGHHZ-HNNXBMFYSA-N 2 1 264.413 1.757 10 30 CDEEMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000933266632 687757539 /nfs/dbraw/zinc/75/75/39/687757539.db2.gz XKJPTOPEDSGHHZ-HNNXBMFYSA-N 2 1 264.413 1.757 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979556 688012417 /nfs/dbraw/zinc/01/24/17/688012417.db2.gz JYDZVTFDEZHTSR-UONOGXRCSA-N 2 1 299.846 1.695 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125253 688094579 /nfs/dbraw/zinc/09/45/79/688094579.db2.gz VJFUGFIGNSKXRO-MRXNPFEDSA-N 2 1 284.444 1.604 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001266841361 1158885783 /nfs/dbraw/zinc/88/57/83/1158885783.db2.gz WIWVMKIJZKSJCM-SJORKVTESA-N 2 1 299.418 1.013 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691184162 1158950512 /nfs/dbraw/zinc/95/05/12/1158950512.db2.gz BXRRIUVTZYWVJV-VGWMRTNUSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001691636867 1161062742 /nfs/dbraw/zinc/06/27/42/1161062742.db2.gz OLOKBDYFJMWPJG-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479963680 1167496701 /nfs/dbraw/zinc/49/67/01/1167496701.db2.gz QWCNJHHESIAQML-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001479963680 1167496704 /nfs/dbraw/zinc/49/67/04/1167496704.db2.gz QWCNJHHESIAQML-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566671661 1168366960 /nfs/dbraw/zinc/36/69/60/1168366960.db2.gz DCTBBAMBXBPFEY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569145171 1169688861 /nfs/dbraw/zinc/68/88/61/1169688861.db2.gz CTUPOFKAZHAQES-AWEZNQCLSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001570046936 1170064730 /nfs/dbraw/zinc/06/47/30/1170064730.db2.gz REDVBUXGJREUIN-WKILWMFISA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570822985 1170288640 /nfs/dbraw/zinc/28/86/40/1170288640.db2.gz OYWXRVQHZJZHSU-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001657025788 1171915033 /nfs/dbraw/zinc/91/50/33/1171915033.db2.gz PEMWXOZODGAUNY-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001666115354 1173111832 /nfs/dbraw/zinc/11/18/32/1173111832.db2.gz NEXOLBMLZORCAP-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669411421 1173546237 /nfs/dbraw/zinc/54/62/37/1173546237.db2.gz HXHJVZMFIXLPEE-CYBMUJFWSA-N 2 1 278.400 1.677 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001672911718 1173809325 /nfs/dbraw/zinc/80/93/25/1173809325.db2.gz YXCMTDCSTVGYBO-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676814945 1174277713 /nfs/dbraw/zinc/27/77/13/1174277713.db2.gz KEDHWYZDJYHWSU-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001689960441 1175324116 /nfs/dbraw/zinc/32/41/16/1175324116.db2.gz MGNVTIKYFYJWBJ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001689960441 1175324122 /nfs/dbraw/zinc/32/41/22/1175324122.db2.gz MGNVTIKYFYJWBJ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001689960441 1175324125 /nfs/dbraw/zinc/32/41/25/1175324125.db2.gz MGNVTIKYFYJWBJ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001690650770 1175537030 /nfs/dbraw/zinc/53/70/30/1175537030.db2.gz RKWDXGDSNVHHMI-UKRRQHHQSA-N 2 1 273.380 1.017 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001692196554 1175698506 /nfs/dbraw/zinc/69/85/06/1175698506.db2.gz HPRQRDSVLYMYCT-KGLIPLIRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001692349567 1175746222 /nfs/dbraw/zinc/74/62/22/1175746222.db2.gz IRPUNOROIPWRAM-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001698667349 1175891524 /nfs/dbraw/zinc/89/15/24/1175891524.db2.gz FJJULYVERAXCNE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCC1 ZINC001698806354 1175935676 /nfs/dbraw/zinc/93/56/76/1175935676.db2.gz FYRZZMQRCOBBSB-UHFFFAOYSA-N 2 1 279.428 1.370 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001698869891 1175971971 /nfs/dbraw/zinc/97/19/71/1175971971.db2.gz GFDSMWBPGSNLFY-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001699662237 1176556715 /nfs/dbraw/zinc/55/67/15/1176556715.db2.gz KUFZCAFAKZKZBB-UHFFFAOYSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015532 1176719348 /nfs/dbraw/zinc/71/93/48/1176719348.db2.gz DPFXIKIVALURMB-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001700015532 1176719354 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CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731807134 1182598166 /nfs/dbraw/zinc/59/81/66/1182598166.db2.gz NKPSMCMMCXRADM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001731807134 1182598171 /nfs/dbraw/zinc/59/81/71/1182598171.db2.gz NKPSMCMMCXRADM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001731807134 1182598176 /nfs/dbraw/zinc/59/81/76/1182598176.db2.gz NKPSMCMMCXRADM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001732048818 1182739967 /nfs/dbraw/zinc/73/99/67/1182739967.db2.gz FOFQHQLZJZZBIC-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732048818 1182739973 /nfs/dbraw/zinc/73/99/73/1182739973.db2.gz FOFQHQLZJZZBIC-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732048818 1182739976 /nfs/dbraw/zinc/73/99/76/1182739976.db2.gz FOFQHQLZJZZBIC-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732172002 1182830309 /nfs/dbraw/zinc/83/03/09/1182830309.db2.gz WBCGJWWLYISJAF-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001732282727 1182894605 /nfs/dbraw/zinc/89/46/05/1182894605.db2.gz AUMMQNHWOUUTRR-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001732559502 1183010189 /nfs/dbraw/zinc/01/01/89/1183010189.db2.gz AEPRDQFEXVOYCH-CVEARBPZSA-N 2 1 293.455 1.470 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001733260623 1183374444 /nfs/dbraw/zinc/37/44/44/1183374444.db2.gz QPFVSGBGAJVDAE-GFCCVEGCSA-N 2 1 276.384 1.403 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001733361850 1183409046 /nfs/dbraw/zinc/40/90/46/1183409046.db2.gz JYEFDHUIEONIFF-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733869175 1183554875 /nfs/dbraw/zinc/55/48/75/1183554875.db2.gz YAAXPZDQCORWRZ-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001734627868 1183853122 /nfs/dbraw/zinc/85/31/22/1183853122.db2.gz KQEIWNOYXYRBEP-UHFFFAOYSA-N 2 1 291.439 1.795 10 30 CDEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001734627868 1183853125 /nfs/dbraw/zinc/85/31/25/1183853125.db2.gz KQEIWNOYXYRBEP-UHFFFAOYSA-N 2 1 291.439 1.795 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001734627868 1183853127 /nfs/dbraw/zinc/85/31/27/1183853127.db2.gz KQEIWNOYXYRBEP-UHFFFAOYSA-N 2 1 291.439 1.795 10 30 CDEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001570780760 1167585529 /nfs/dbraw/zinc/58/55/29/1167585529.db2.gz BTXOIOHPXXOJFJ-LSDHHAIUSA-N 2 1 279.428 1.034 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001565827815 1168176360 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UMUVDTMQOWDBBA-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001320862719 959426547 /nfs/dbraw/zinc/42/65/47/959426547.db2.gz LIIQAVKSMRQDEL-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320921080 959459220 /nfs/dbraw/zinc/45/92/20/959459220.db2.gz LMRKUWHGYOMWHS-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001321418751 959776650 /nfs/dbraw/zinc/77/66/50/959776650.db2.gz IMAVBWURRKUXRS-MVGZEHJDSA-N 2 1 277.412 1.146 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C(C)C ZINC001321421588 959777678 /nfs/dbraw/zinc/77/76/78/959777678.db2.gz WSJGPAYLRAYSLW-SREVYHEPSA-N 2 1 253.390 1.165 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001321533234 959839742 /nfs/dbraw/zinc/83/97/42/959839742.db2.gz SWAIZMIBIICTLP-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001371359809 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C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001506580670 975182290 /nfs/dbraw/zinc/18/22/90/975182290.db2.gz UNRZRVWOFUPYPZ-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507023470 975298931 /nfs/dbraw/zinc/29/89/31/975298931.db2.gz QIKIFUUUEYWIOX-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001507160761 975358808 /nfs/dbraw/zinc/35/88/08/975358808.db2.gz FSAXTOCXEBKNHX-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001379358259 975796542 /nfs/dbraw/zinc/79/65/42/975796542.db2.gz LXAOCIJJOSPGFH-IJLUTSLNSA-N 2 1 273.808 1.173 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001674441425 1173947636 /nfs/dbraw/zinc/94/76/36/1173947636.db2.gz ZEVKKDGHPLCLRP-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001674441425 1173947640 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10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001675504058 1174121683 /nfs/dbraw/zinc/12/16/83/1174121683.db2.gz IWTLHQGTXZSSAZ-LVQVYYBASA-N 2 1 291.439 1.341 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001675504058 1174121689 /nfs/dbraw/zinc/12/16/89/1174121689.db2.gz IWTLHQGTXZSSAZ-LVQVYYBASA-N 2 1 291.439 1.341 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001676893277 1174288010 /nfs/dbraw/zinc/28/80/10/1174288010.db2.gz IPRODDHWBYMQRU-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001676893277 1174288014 /nfs/dbraw/zinc/28/80/14/1174288014.db2.gz IPRODDHWBYMQRU-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001676893277 1174288023 /nfs/dbraw/zinc/28/80/23/1174288023.db2.gz IPRODDHWBYMQRU-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001677208508 1174334025 /nfs/dbraw/zinc/33/40/25/1174334025.db2.gz DPQDTWADAWDKTF-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1=CC[N@@H+](C)CC1 ZINC000600736628 342244283 /nfs/dbraw/zinc/24/42/83/342244283.db2.gz SLQXRTLFMXWCDL-GXTWGEPZSA-N 2 1 263.385 1.281 10 30 CDEEMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)cc1 ZINC000600708936 349875980 /nfs/dbraw/zinc/87/59/80/349875980.db2.gz LYLZXWUSKHKSCP-GFCCVEGCSA-N 2 1 259.353 1.717 10 30 CDEEMP Cc1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1C#N ZINC000600699722 349876100 /nfs/dbraw/zinc/87/61/00/349876100.db2.gz CGYWIZFCCUCXHW-UHFFFAOYSA-N 2 1 272.396 1.204 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001660369210 1172203775 /nfs/dbraw/zinc/20/37/75/1172203775.db2.gz RZXVSMCDWPYBIY-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001660369210 1172203781 /nfs/dbraw/zinc/20/37/81/1172203781.db2.gz RZXVSMCDWPYBIY-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001660369210 1172203788 /nfs/dbraw/zinc/20/37/88/1172203788.db2.gz RZXVSMCDWPYBIY-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)COC(C)C)CC1 ZINC000572713828 371283110 /nfs/dbraw/zinc/28/31/10/371283110.db2.gz HKHDWYRKVFZPMS-HNNXBMFYSA-N 2 1 270.417 1.402 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001661609971 1172416008 /nfs/dbraw/zinc/41/60/08/1172416008.db2.gz DOJAUQZTFDVEKI-KBXIAJHMSA-N 2 1 295.402 1.069 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@@H](C)F)C1 ZINC001661609971 1172416013 /nfs/dbraw/zinc/41/60/13/1172416013.db2.gz DOJAUQZTFDVEKI-KBXIAJHMSA-N 2 1 295.402 1.069 10 30 CDEEMP C[NH+](C)CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123141882 373981966 /nfs/dbraw/zinc/98/19/66/373981966.db2.gz WOWDKEQHDUDIAC-UHFFFAOYSA-N 2 1 257.341 1.247 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876025 374428271 /nfs/dbraw/zinc/42/82/71/374428271.db2.gz SQOQXHMNYYMPQD-CYBMUJFWSA-N 2 1 290.411 1.365 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000161302847 377566442 /nfs/dbraw/zinc/56/64/42/377566442.db2.gz SGNRBOMHJDHAGO-ZBFHGGJFSA-N 2 1 291.439 1.177 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335658 412903613 /nfs/dbraw/zinc/90/36/13/412903613.db2.gz ORPPPTIAXOXDKR-ZDUSSCGKSA-N 2 1 275.400 1.185 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001662639353 1172573403 /nfs/dbraw/zinc/57/34/03/1172573403.db2.gz AFUIOPNQNDQYJC-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nn1 ZINC000655938675 412956011 /nfs/dbraw/zinc/95/60/11/412956011.db2.gz BBYHYYCNPYODRZ-OAHLLOKOSA-N 2 1 289.427 1.676 10 30 CDEEMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC2CC2)C1 ZINC000058184986 390498094 /nfs/dbraw/zinc/49/80/94/390498094.db2.gz IPMGGSWNQQULLB-GFCCVEGCSA-N 2 1 252.406 1.565 10 30 CDEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCC#N)C[C@H]1C ZINC000339009746 391240706 /nfs/dbraw/zinc/24/07/06/391240706.db2.gz ICNYDYKSNPHLKS-ZIAGYGMSSA-N 2 1 253.390 1.721 10 30 CDEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCC#N)C[C@H]1C ZINC000339009746 391240707 /nfs/dbraw/zinc/24/07/07/391240707.db2.gz ICNYDYKSNPHLKS-ZIAGYGMSSA-N 2 1 253.390 1.721 10 30 CDEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCC#N)C[C@H]1C ZINC000339009746 391240710 /nfs/dbraw/zinc/24/07/10/391240710.db2.gz ICNYDYKSNPHLKS-ZIAGYGMSSA-N 2 1 253.390 1.721 10 30 CDEEMP C#CC[N@H+](CCNC(=O)CCC[NH+]1CCCCC1)C1CC1 ZINC001663777998 1172761076 /nfs/dbraw/zinc/76/10/76/1172761076.db2.gz ZACBOEMHWVDNAV-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP Cn1cc(C[N@H+](C)Cc2sccc2C#CC[NH3+])cn1 ZINC000043683972 175092368 /nfs/dbraw/zinc/09/23/68/175092368.db2.gz UYYAJEJKWHIMLP-UHFFFAOYSA-N 2 1 274.393 1.424 10 30 CDEEMP Cn1cc(C[N@@H+](C)Cc2sccc2C#CC[NH3+])cn1 ZINC000043683972 175092369 /nfs/dbraw/zinc/09/23/69/175092369.db2.gz UYYAJEJKWHIMLP-UHFFFAOYSA-N 2 1 274.393 1.424 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001667549161 1173285389 /nfs/dbraw/zinc/28/53/89/1173285389.db2.gz LUZDOKXOBYZSNX-HUUCEWRRSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001667549161 1173285401 /nfs/dbraw/zinc/28/54/01/1173285401.db2.gz LUZDOKXOBYZSNX-HUUCEWRRSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001667549161 1173285410 /nfs/dbraw/zinc/28/54/10/1173285410.db2.gz LUZDOKXOBYZSNX-HUUCEWRRSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001667549161 1173285436 /nfs/dbraw/zinc/28/54/36/1173285436.db2.gz LUZDOKXOBYZSNX-HUUCEWRRSA-N 2 1 297.443 1.062 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001669446365 1173550467 /nfs/dbraw/zinc/55/04/67/1173550467.db2.gz GPDSPOMOGQTZJS-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001669822183 1173614772 /nfs/dbraw/zinc/61/47/72/1173614772.db2.gz TUYGAJBBSBARHT-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001669867937 1173621334 /nfs/dbraw/zinc/62/13/34/1173621334.db2.gz LRBVMKBTYUCJLJ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001669867937 1173621336 /nfs/dbraw/zinc/62/13/36/1173621336.db2.gz LRBVMKBTYUCJLJ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001669867937 1173621339 /nfs/dbraw/zinc/62/13/39/1173621339.db2.gz LRBVMKBTYUCJLJ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001671675077 1173701382 /nfs/dbraw/zinc/70/13/82/1173701382.db2.gz SPLTYFJOVDYMCM-GOEBONIOSA-N 2 1 288.395 1.438 10 30 CDEEMP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000262491141 330017423 /nfs/dbraw/zinc/01/74/23/330017423.db2.gz VAJFBLLSFQVFGG-MGPQQGTHSA-N 2 1 282.432 1.142 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000328062091 330305117 /nfs/dbraw/zinc/30/51/17/330305117.db2.gz BQWZVDNLDRKBHU-BFHYXJOUSA-N 2 1 250.386 1.345 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000328062091 330305118 /nfs/dbraw/zinc/30/51/18/330305118.db2.gz BQWZVDNLDRKBHU-BFHYXJOUSA-N 2 1 250.386 1.345 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC=C ZINC001698828358 1175952938 /nfs/dbraw/zinc/95/29/38/1175952938.db2.gz HIZCBHVMYQIUTA-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001691510429 1160192444 /nfs/dbraw/zinc/19/24/44/1160192444.db2.gz KRWRWSCASQMWDE-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713477920 1178594480 /nfs/dbraw/zinc/59/44/80/1178594480.db2.gz JCMYYAUQXKVQQY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713477920 1178594488 /nfs/dbraw/zinc/59/44/88/1178594488.db2.gz JCMYYAUQXKVQQY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713477920 1178594493 /nfs/dbraw/zinc/59/44/93/1178594493.db2.gz JCMYYAUQXKVQQY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001688896301 1175058526 /nfs/dbraw/zinc/05/85/26/1175058526.db2.gz AFVLDVLAOKUDGS-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001688896301 1175058532 /nfs/dbraw/zinc/05/85/32/1175058532.db2.gz AFVLDVLAOKUDGS-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001690215464 1175405132 /nfs/dbraw/zinc/40/51/32/1175405132.db2.gz QZDPJLPPCIMMAE-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001690215464 1175405137 /nfs/dbraw/zinc/40/51/37/1175405137.db2.gz QZDPJLPPCIMMAE-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001690215464 1175405141 /nfs/dbraw/zinc/40/51/41/1175405141.db2.gz QZDPJLPPCIMMAE-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001690215464 1175405144 /nfs/dbraw/zinc/40/51/44/1175405144.db2.gz QZDPJLPPCIMMAE-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000900788134 623484794 /nfs/dbraw/zinc/48/47/94/623484794.db2.gz VDFAIQLIRZQNQX-CQSZACIVSA-N 2 1 267.417 1.293 10 30 CDEEMP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)ccc1C#N ZINC000903955878 626166989 /nfs/dbraw/zinc/16/69/89/626166989.db2.gz BPEKOPDIFUSIRA-CYBMUJFWSA-N 2 1 295.333 1.901 10 30 CDEEMP C[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]CC1CC1 ZINC000912507003 630047669 /nfs/dbraw/zinc/04/76/69/630047669.db2.gz SCFDHQRORBTWLN-ZDUSSCGKSA-N 2 1 266.433 1.824 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774602 693893366 /nfs/dbraw/zinc/89/33/66/693893366.db2.gz AWZZBSPAOFLNGD-UONOGXRCSA-N 2 1 299.846 1.647 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000178580579 688428110 /nfs/dbraw/zinc/42/81/10/688428110.db2.gz DDIRSWGIINPOHO-CHWSQXEVSA-N 2 1 254.422 1.667 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001691228490 1158968132 /nfs/dbraw/zinc/96/81/32/1158968132.db2.gz WDZVBILASIZLAE-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[C@@H](O)C[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288820 692813377 /nfs/dbraw/zinc/81/33/77/692813377.db2.gz VDCCAFSRWAWPOW-MRXNPFEDSA-N 2 1 282.428 1.500 10 30 CDEEMP C=CCC[C@@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288820 692813379 /nfs/dbraw/zinc/81/33/79/692813379.db2.gz VDCCAFSRWAWPOW-MRXNPFEDSA-N 2 1 282.428 1.500 10 30 CDEEMP CN(C)c1ccc(/C=C\C=[NH+]N2CC[NH+](C)CC2)cc1 ZINC000834913860 693279463 /nfs/dbraw/zinc/27/94/63/693279463.db2.gz IGANCGPJMLXZRE-GYTGXCFESA-N 2 1 272.396 1.999 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569674 694818072 /nfs/dbraw/zinc/81/80/72/694818072.db2.gz YCGVBGZGBWYFLL-GFCCVEGCSA-N 2 1 298.431 1.107 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001266942271 1159003801 /nfs/dbraw/zinc/00/38/01/1159003801.db2.gz LCSFCVDGTDTEPT-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000779342692 694768400 /nfs/dbraw/zinc/76/84/00/694768400.db2.gz VWTSWVHHHFPQBN-SJPCQFCGSA-N 2 1 275.440 1.643 10 30 CDEEMP C#CCCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000878247896 695052120 /nfs/dbraw/zinc/05/21/20/695052120.db2.gz LATMIXPNRUBNLD-QGZVFWFLSA-N 2 1 277.456 1.892 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266994578 1159073334 /nfs/dbraw/zinc/07/33/34/1159073334.db2.gz NPUDUNUWKUSNQY-GOEBONIOSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001691410064 1159058740 /nfs/dbraw/zinc/05/87/40/1159058740.db2.gz LDFNYWVOWSKWIA-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482290734 1160110903 /nfs/dbraw/zinc/11/09/03/1160110903.db2.gz AMCMJMPRUWPWAV-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482331141 1160155354 /nfs/dbraw/zinc/15/53/54/1160155354.db2.gz OCGXZCIINCBVOX-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001566600924 1168352747 /nfs/dbraw/zinc/35/27/47/1168352747.db2.gz QXNITEKXTBUNDQ-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566600924 1168352751 /nfs/dbraw/zinc/35/27/51/1168352751.db2.gz QXNITEKXTBUNDQ-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567178060 1168607390 /nfs/dbraw/zinc/60/73/90/1168607390.db2.gz JKVAAVAVRIAFAU-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567188293 1168611765 /nfs/dbraw/zinc/61/17/65/1168611765.db2.gz KQCRQNODNSNECG-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567188293 1168611769 /nfs/dbraw/zinc/61/17/69/1168611769.db2.gz KQCRQNODNSNECG-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001570265362 1170123805 /nfs/dbraw/zinc/12/38/05/1170123805.db2.gz KJDHIGYKIQBEAI-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571192701 1170345029 /nfs/dbraw/zinc/34/50/29/1170345029.db2.gz OKESPQIQLRCFMA-KLHDSHLOSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001656650476 1171856220 /nfs/dbraw/zinc/85/62/20/1171856220.db2.gz GEMBHVXFASQJAJ-BMFZPTHFSA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644994 1172737044 /nfs/dbraw/zinc/73/70/44/1172737044.db2.gz NSFBUFGMHXFGBI-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC001586975572 1172967282 /nfs/dbraw/zinc/96/72/82/1172967282.db2.gz ZWTSTZKHTSZOHQ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001666939181 1173210316 /nfs/dbraw/zinc/21/03/16/1173210316.db2.gz USZWWXOXJCKVLW-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001668477342 1173417621 /nfs/dbraw/zinc/41/76/21/1173417621.db2.gz ALSWZRHNOMOMPI-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)C(C)C ZINC001673445741 1173858393 /nfs/dbraw/zinc/85/83/93/1173858393.db2.gz KWHALNPBBMDSJI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)C(C)C ZINC001673445741 1173858398 /nfs/dbraw/zinc/85/83/98/1173858398.db2.gz KWHALNPBBMDSJI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C(C)C ZINC001673445741 1173858401 /nfs/dbraw/zinc/85/84/01/1173858401.db2.gz KWHALNPBBMDSJI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)C(C)C ZINC001673445741 1173858406 /nfs/dbraw/zinc/85/84/06/1173858406.db2.gz KWHALNPBBMDSJI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001677448299 1174361908 /nfs/dbraw/zinc/36/19/08/1174361908.db2.gz CWFXDWSXJJAEHF-UHFFFAOYSA-N 2 1 299.418 1.331 10 30 CDEEMP C#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001677448299 1174361914 /nfs/dbraw/zinc/36/19/14/1174361914.db2.gz CWFXDWSXJJAEHF-UHFFFAOYSA-N 2 1 299.418 1.331 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001692279092 1175723493 /nfs/dbraw/zinc/72/34/93/1175723493.db2.gz AIGMSUFOMYWEFZ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001698731087 1175906182 /nfs/dbraw/zinc/90/61/82/1175906182.db2.gz SYVYUHWMGZPGDP-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC=C ZINC001698828358 1175952932 /nfs/dbraw/zinc/95/29/32/1175952932.db2.gz HIZCBHVMYQIUTA-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001699826726 1176645769 /nfs/dbraw/zinc/64/57/69/1176645769.db2.gz UCTAWTITCPLGSB-AWEZNQCLSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001699826726 1176645773 /nfs/dbraw/zinc/64/57/73/1176645773.db2.gz UCTAWTITCPLGSB-AWEZNQCLSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001699826726 1176645777 /nfs/dbraw/zinc/64/57/77/1176645777.db2.gz UCTAWTITCPLGSB-AWEZNQCLSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+](C)CCOCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001700704347 1177082158 /nfs/dbraw/zinc/08/21/58/1177082158.db2.gz XLEVLICQPPOVPK-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700704347 1177082164 /nfs/dbraw/zinc/08/21/64/1177082164.db2.gz XLEVLICQPPOVPK-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001700704347 1177082168 /nfs/dbraw/zinc/08/21/68/1177082168.db2.gz XLEVLICQPPOVPK-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001707406550 1178025959 /nfs/dbraw/zinc/02/59/59/1178025959.db2.gz BTEBXIBYECRJNG-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001707406550 1178025969 /nfs/dbraw/zinc/02/59/69/1178025969.db2.gz BTEBXIBYECRJNG-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001713025022 1178312466 /nfs/dbraw/zinc/31/24/66/1178312466.db2.gz PWNNARQKHCLBIZ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001713025022 1178312474 /nfs/dbraw/zinc/31/24/74/1178312474.db2.gz PWNNARQKHCLBIZ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001713025022 1178312482 /nfs/dbraw/zinc/31/24/82/1178312482.db2.gz PWNNARQKHCLBIZ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713084391 1178356687 /nfs/dbraw/zinc/35/66/87/1178356687.db2.gz FHJYGNFMRRHODY-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001713084391 1178356695 /nfs/dbraw/zinc/35/66/95/1178356695.db2.gz FHJYGNFMRRHODY-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713084391 1178356701 /nfs/dbraw/zinc/35/67/01/1178356701.db2.gz FHJYGNFMRRHODY-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001713084391 1178356708 /nfs/dbraw/zinc/35/67/08/1178356708.db2.gz FHJYGNFMRRHODY-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001713124561 1178382494 /nfs/dbraw/zinc/38/24/94/1178382494.db2.gz IHSWHKJSQITIBJ-HUUCEWRRSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714024108 1178932844 /nfs/dbraw/zinc/93/28/44/1178932844.db2.gz BYFICPWSDFAFFA-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714047592 1178945588 /nfs/dbraw/zinc/94/55/88/1178945588.db2.gz CKNNYUXHJBFKEF-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001714047592 1178945592 /nfs/dbraw/zinc/94/55/92/1178945592.db2.gz CKNNYUXHJBFKEF-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001714047592 1178945595 /nfs/dbraw/zinc/94/55/95/1178945595.db2.gz CKNNYUXHJBFKEF-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155950 1178994147 /nfs/dbraw/zinc/99/41/47/1178994147.db2.gz LLVKPSCCZIRDNM-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155950 1178994151 /nfs/dbraw/zinc/99/41/51/1178994151.db2.gz LLVKPSCCZIRDNM-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155950 1178994155 /nfs/dbraw/zinc/99/41/55/1178994155.db2.gz LLVKPSCCZIRDNM-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714235570 1179039151 /nfs/dbraw/zinc/03/91/51/1179039151.db2.gz KUABUCLPPWMING-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714377784 1179112897 /nfs/dbraw/zinc/11/28/97/1179112897.db2.gz BXUGZMMWCYZCLK-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001714883656 1179436570 /nfs/dbraw/zinc/43/65/70/1179436570.db2.gz DBLKMJYATRRXDU-INIZCTEOSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714906641 1179446950 /nfs/dbraw/zinc/44/69/50/1179446950.db2.gz UMFYOPFBDVCGKA-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714906641 1179446952 /nfs/dbraw/zinc/44/69/52/1179446952.db2.gz UMFYOPFBDVCGKA-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714906641 1179446953 /nfs/dbraw/zinc/44/69/53/1179446953.db2.gz UMFYOPFBDVCGKA-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001714945312 1179471560 /nfs/dbraw/zinc/47/15/60/1179471560.db2.gz OASVYLLHLXEJAO-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001715335885 1179631389 /nfs/dbraw/zinc/63/13/89/1179631389.db2.gz CROMWUDTRRCNRQ-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715533854 1179705306 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293.455 1.731 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001717745143 1180823890 /nfs/dbraw/zinc/82/38/90/1180823890.db2.gz PRRLZYFARLPECK-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001717906752 1180920822 /nfs/dbraw/zinc/92/08/22/1180920822.db2.gz ZXHTWUFIUZSABF-CQSZACIVSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001724848580 1181772268 /nfs/dbraw/zinc/77/22/68/1181772268.db2.gz NROBWVKERMFQHF-LSDHHAIUSA-N 2 1 290.411 1.991 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001725056663 1181837916 /nfs/dbraw/zinc/83/79/16/1181837916.db2.gz DSGXKRAJNLDHSP-CQSZACIVSA-N 2 1 265.401 1.191 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001725115196 1181869627 /nfs/dbraw/zinc/86/96/27/1181869627.db2.gz RPJLALYWKFTXHD-KGLIPLIRSA-N 2 1 290.411 1.478 10 30 CDEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001725373207 1181978734 /nfs/dbraw/zinc/97/87/34/1181978734.db2.gz VATXDYPFXWOFDR-LDKKBFSKSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725391664 1181985887 /nfs/dbraw/zinc/98/58/87/1181985887.db2.gz UOLHAPUQWHGEMA-HRCADAONSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001725456254 1182007524 /nfs/dbraw/zinc/00/75/24/1182007524.db2.gz PWNVEEDXWVVTKX-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001725499299 1182026660 /nfs/dbraw/zinc/02/66/60/1182026660.db2.gz XLTDQQHNOCIMNG-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001725573575 1182055721 /nfs/dbraw/zinc/05/57/21/1182055721.db2.gz GOOBAWDPEWDZQH-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001725746145 1182120544 /nfs/dbraw/zinc/12/05/44/1182120544.db2.gz NDXPYNWSZZNRPM-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001731445636 1182391641 /nfs/dbraw/zinc/39/16/41/1182391641.db2.gz UCNXCBHGAYXVFE-HDJSIYSDSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001731482827 1182413653 /nfs/dbraw/zinc/41/36/53/1182413653.db2.gz HWJKNAAOBODEIY-OAGGEKHMSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001731795145 1182584797 /nfs/dbraw/zinc/58/47/97/1182584797.db2.gz BLPIIZDCZIDZGS-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001731795145 1182584805 /nfs/dbraw/zinc/58/48/05/1182584805.db2.gz BLPIIZDCZIDZGS-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731806499 1182596353 /nfs/dbraw/zinc/59/63/53/1182596353.db2.gz AULFQTWJFVRRAS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001731806499 1182596359 /nfs/dbraw/zinc/59/63/59/1182596359.db2.gz AULFQTWJFVRRAS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001731806499 1182596365 /nfs/dbraw/zinc/59/63/65/1182596365.db2.gz AULFQTWJFVRRAS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732168823 1182828346 /nfs/dbraw/zinc/82/83/46/1182828346.db2.gz OXLKNJIKJMFTPT-AWEZNQCLSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC1 ZINC001732202168 1182855051 /nfs/dbraw/zinc/85/50/51/1182855051.db2.gz YBNNOMAJSOERSL-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC1 ZINC001732202168 1182855056 /nfs/dbraw/zinc/85/50/56/1182855056.db2.gz YBNNOMAJSOERSL-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001732232797 1182873181 /nfs/dbraw/zinc/87/31/81/1182873181.db2.gz MBOPBIJXZHFFJY-HNNXBMFYSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001733296814 1183382009 /nfs/dbraw/zinc/38/20/09/1183382009.db2.gz KYMGKAQXRZFPSK-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733296814 1183382014 /nfs/dbraw/zinc/38/20/14/1183382014.db2.gz KYMGKAQXRZFPSK-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001733296814 1183382020 /nfs/dbraw/zinc/38/20/20/1183382020.db2.gz KYMGKAQXRZFPSK-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001733409282 1183424350 /nfs/dbraw/zinc/42/43/50/1183424350.db2.gz BTMJBNMZAQHFLI-NVXWUHKLSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001734153668 1183676931 /nfs/dbraw/zinc/67/69/31/1183676931.db2.gz JMYLKAMJUJGMPR-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001734153668 1183676932 /nfs/dbraw/zinc/67/69/32/1183676932.db2.gz JMYLKAMJUJGMPR-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001734153668 1183676933 /nfs/dbraw/zinc/67/69/33/1183676933.db2.gz JMYLKAMJUJGMPR-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001734265860 1183707928 /nfs/dbraw/zinc/70/79/28/1183707928.db2.gz UQWYGFXFRMCCFI-LBPRGKRZSA-N 2 1 298.818 1.819 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001734549514 1183820943 /nfs/dbraw/zinc/82/09/43/1183820943.db2.gz NZFPMZDXULSCGS-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001734549514 1183820947 /nfs/dbraw/zinc/82/09/47/1183820947.db2.gz NZFPMZDXULSCGS-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001734549514 1183820951 /nfs/dbraw/zinc/82/09/51/1183820951.db2.gz NZFPMZDXULSCGS-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001734557518 1183825535 /nfs/dbraw/zinc/82/55/35/1183825535.db2.gz YWIQUTOHGXWBCU-UONOGXRCSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001734557518 1183825536 /nfs/dbraw/zinc/82/55/36/1183825536.db2.gz YWIQUTOHGXWBCU-UONOGXRCSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)nn1 ZINC000923495152 723630081 /nfs/dbraw/zinc/63/00/81/723630081.db2.gz ULLIUMBZPYIIGT-STQMWFEESA-N 2 1 263.389 1.271 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000862628707 723661038 /nfs/dbraw/zinc/66/10/38/723661038.db2.gz ISBPCRKUGNWWKK-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001566694337 1168032364 /nfs/dbraw/zinc/03/23/64/1168032364.db2.gz FGWVFDNNRKUGER-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001566601066 1168353039 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CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482532480 906873224 /nfs/dbraw/zinc/87/32/24/906873224.db2.gz SELLCBDATKPDKW-RBSFLKMASA-N 2 1 279.428 1.080 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001271890901 906939238 /nfs/dbraw/zinc/93/92/38/906939238.db2.gz DDSWDABDQSRVHE-IYBDPMFKSA-N 2 1 291.439 1.439 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001272223027 909222025 /nfs/dbraw/zinc/22/20/25/909222025.db2.gz CCBFNGLCUHPKFP-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001272223027 909222034 /nfs/dbraw/zinc/22/20/34/909222034.db2.gz CCBFNGLCUHPKFP-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001272223027 909222043 /nfs/dbraw/zinc/22/20/43/909222043.db2.gz CCBFNGLCUHPKFP-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000714994624 909774087 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C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485260716 916706258 /nfs/dbraw/zinc/70/62/58/916706258.db2.gz OWOOYGNXXNTTDY-AWEZNQCLSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485762917 917264778 /nfs/dbraw/zinc/26/47/78/917264778.db2.gz KOTZWLZJNIZFBZ-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001568277786 1169219108 /nfs/dbraw/zinc/21/91/08/1169219108.db2.gz GBZACWUXABAVDM-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(C)C ZINC001568277786 1169219119 /nfs/dbraw/zinc/21/91/19/1169219119.db2.gz GBZACWUXABAVDM-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272913670 920026851 /nfs/dbraw/zinc/02/68/51/920026851.db2.gz JDFFDHDABYXRDI-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001485915410 920572700 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C#CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000852206387 927739787 /nfs/dbraw/zinc/73/97/87/927739787.db2.gz IVZZZULAYYSVQV-GJZGRUSLSA-N 2 1 252.402 1.423 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001274153731 931206782 /nfs/dbraw/zinc/20/67/82/931206782.db2.gz MHYKPMAKEVAMDR-FYCOFBDGSA-N 2 1 291.439 1.392 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274654889 931531930 /nfs/dbraw/zinc/53/19/30/931531930.db2.gz POOUWOSFZFTBKC-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001276432357 939717348 /nfs/dbraw/zinc/71/73/48/939717348.db2.gz MBJVAVALRXJCIY-UONOGXRCSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276602014 940408499 /nfs/dbraw/zinc/40/84/99/940408499.db2.gz VNBNKNDAYXIXIB-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277271823 942277304 /nfs/dbraw/zinc/27/73/04/942277304.db2.gz LARVENCDELMQBX-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001277298991 942314213 /nfs/dbraw/zinc/31/42/13/942314213.db2.gz KJTGCTOYVRPQMF-OAHLLOKOSA-N 2 1 295.471 1.862 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001280197485 942422933 /nfs/dbraw/zinc/42/29/33/942422933.db2.gz ILIQMAIJHORPED-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001281892878 942628722 /nfs/dbraw/zinc/62/87/22/942628722.db2.gz FTLIHLOZSQRGJJ-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001282240007 942683031 /nfs/dbraw/zinc/68/30/31/942683031.db2.gz AYJIFBZMUMKSLG-OLZOCXBDSA-N 2 1 255.406 1.386 10 30 CDEEMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001277495448 942818519 /nfs/dbraw/zinc/81/85/19/942818519.db2.gz CXFQWBCZIGIYNR-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]C(C)C ZINC001283188107 942850099 /nfs/dbraw/zinc/85/00/99/942850099.db2.gz DFTOYWDCXSAGGW-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]C(C)C ZINC001283188107 942850106 /nfs/dbraw/zinc/85/01/06/942850106.db2.gz DFTOYWDCXSAGGW-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001284784900 943258655 /nfs/dbraw/zinc/25/86/55/943258655.db2.gz YUHLVLNVTMKMFW-NRXISQOPSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001263811907 943983167 /nfs/dbraw/zinc/98/31/67/943983167.db2.gz CGVDWIDEVUUFKS-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001263833808 943994928 /nfs/dbraw/zinc/99/49/28/943994928.db2.gz NJMLGHBJXCCWDI-XUWVNRHRSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001263868490 944014071 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C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265558337 944429059 /nfs/dbraw/zinc/42/90/59/944429059.db2.gz VSBAIVXCZBDWKC-OKILXGFUSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001265597055 944442624 /nfs/dbraw/zinc/44/26/24/944442624.db2.gz PNECMPCTLQIYAB-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277981653 944471599 /nfs/dbraw/zinc/47/15/99/944471599.db2.gz OBTUBKQRRHNPEA-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001265942187 944586256 /nfs/dbraw/zinc/58/62/56/944586256.db2.gz YLFIPALIQGXZSI-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001279274379 944789278 /nfs/dbraw/zinc/78/92/78/944789278.db2.gz YGFJIESPOCKGMV-YMAMQOFZSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479371438 971314217 /nfs/dbraw/zinc/31/42/17/971314217.db2.gz PPWWQNZMHHMBOE-SHTZXODSSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001479833340 971440966 /nfs/dbraw/zinc/44/09/66/971440966.db2.gz XVYCBQWSCFUOKI-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001278917750 948223768 /nfs/dbraw/zinc/22/37/68/948223768.db2.gz HOSTXHUPNDICRC-AWEZNQCLSA-N 2 1 267.417 1.129 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278497616 948926503 /nfs/dbraw/zinc/92/65/03/948926503.db2.gz CTHWWPKPQAUFKT-INMHGKMJSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001480142133 971599847 /nfs/dbraw/zinc/59/98/47/971599847.db2.gz LOIBCKMAOSXLNF-JYJNAYRXSA-N 2 1 289.423 1.287 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC=C(C)C)C1 ZINC001480142133 971599852 /nfs/dbraw/zinc/59/98/52/971599852.db2.gz LOIBCKMAOSXLNF-JYJNAYRXSA-N 2 1 289.423 1.287 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001493083572 971942132 /nfs/dbraw/zinc/94/21/32/971942132.db2.gz JQJJRWIPVHEBAX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493083572 971942137 /nfs/dbraw/zinc/94/21/37/971942137.db2.gz JQJJRWIPVHEBAX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001493083572 971942143 /nfs/dbraw/zinc/94/21/43/971942143.db2.gz JQJJRWIPVHEBAX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001569153297 1169695715 /nfs/dbraw/zinc/69/57/15/1169695715.db2.gz RUCJXDPEXCOXDC-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001493138840 971958640 /nfs/dbraw/zinc/95/86/40/971958640.db2.gz XXMBSIPFGZWGJK-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493138840 971958644 /nfs/dbraw/zinc/95/86/44/971958644.db2.gz XXMBSIPFGZWGJK-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493138840 971958647 /nfs/dbraw/zinc/95/86/47/971958647.db2.gz XXMBSIPFGZWGJK-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001493334040 972019320 /nfs/dbraw/zinc/01/93/20/972019320.db2.gz LCRIXXVOZRWMTJ-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001493334040 972019331 /nfs/dbraw/zinc/01/93/31/972019331.db2.gz LCRIXXVOZRWMTJ-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001493334040 972019339 /nfs/dbraw/zinc/01/93/39/972019339.db2.gz LCRIXXVOZRWMTJ-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328103881 955191954 /nfs/dbraw/zinc/19/19/54/955191954.db2.gz XOSYIIUOMVLWOC-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001328903766 955544755 /nfs/dbraw/zinc/54/47/55/955544755.db2.gz DPRJHMQPEONEJH-UIDBIOKJSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329150618 955718758 /nfs/dbraw/zinc/71/87/58/955718758.db2.gz YNNPHKRLBWHEDY-CHWSQXEVSA-N 2 1 278.400 1.641 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001316733373 956192747 /nfs/dbraw/zinc/19/27/47/956192747.db2.gz ALXXXUKSTKKYNH-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1CC ZINC001316733373 956192756 /nfs/dbraw/zinc/19/27/56/956192756.db2.gz ALXXXUKSTKKYNH-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1CC ZINC001316733373 956192762 /nfs/dbraw/zinc/19/27/62/956192762.db2.gz ALXXXUKSTKKYNH-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001494387848 972223366 /nfs/dbraw/zinc/22/33/66/972223366.db2.gz SVUXMPUEBKLYDY-CWRNSKLLSA-N 2 1 293.455 1.872 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317091310 956954980 /nfs/dbraw/zinc/95/49/80/956954980.db2.gz PVNMLROBGBNIKV-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001316844168 957065552 /nfs/dbraw/zinc/06/55/52/957065552.db2.gz JCWLEKQBJBQBHC-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001316844168 957065567 /nfs/dbraw/zinc/06/55/67/957065567.db2.gz JCWLEKQBJBQBHC-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001316844168 957065578 /nfs/dbraw/zinc/06/55/78/957065578.db2.gz JCWLEKQBJBQBHC-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317045815 957223745 /nfs/dbraw/zinc/22/37/45/957223745.db2.gz RLFKPBKUMVGKIZ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317045815 957223754 /nfs/dbraw/zinc/22/37/54/957223754.db2.gz RLFKPBKUMVGKIZ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317045815 957223763 /nfs/dbraw/zinc/22/37/63/957223763.db2.gz RLFKPBKUMVGKIZ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317042733 957223854 /nfs/dbraw/zinc/22/38/54/957223854.db2.gz GJPVZBRZXBCMKO-HZPDHXFCSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317078220 957253333 /nfs/dbraw/zinc/25/33/33/957253333.db2.gz KPGGGKOVKQADQC-AAVRWANBSA-N 2 1 265.401 1.140 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317114761 957280394 /nfs/dbraw/zinc/28/03/94/957280394.db2.gz GANKNVIOXBIRNT-MJBXVCDLSA-N 2 1 265.401 1.284 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001317272615 957395551 /nfs/dbraw/zinc/39/55/51/957395551.db2.gz ZSKURMUAQZLIGI-OLZOCXBDSA-N 2 1 278.400 1.649 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317320946 957422545 /nfs/dbraw/zinc/42/25/45/957422545.db2.gz CSWZGDQKRGQLID-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317381721 957442431 /nfs/dbraw/zinc/44/24/31/957442431.db2.gz BVDKOMSIWLVIAS-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317381721 957442437 /nfs/dbraw/zinc/44/24/37/957442437.db2.gz BVDKOMSIWLVIAS-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317381721 957442444 /nfs/dbraw/zinc/44/24/44/957442444.db2.gz BVDKOMSIWLVIAS-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317981373 957838617 /nfs/dbraw/zinc/83/86/17/957838617.db2.gz JWLLBWIURWKFFF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317981373 957838625 /nfs/dbraw/zinc/83/86/25/957838625.db2.gz JWLLBWIURWKFFF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001333004491 958009092 /nfs/dbraw/zinc/00/90/92/958009092.db2.gz KXWQZLPPZKNTBB-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001318564145 958173527 /nfs/dbraw/zinc/17/35/27/958173527.db2.gz YELPTPNRVGLNKR-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494864886 972326103 /nfs/dbraw/zinc/32/61/03/972326103.db2.gz VYVWDSFPMALNSU-GJZGRUSLSA-N 2 1 281.444 1.681 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001318593083 958191348 /nfs/dbraw/zinc/19/13/48/958191348.db2.gz ZCAYLEOGIOZTSY-CQSZACIVSA-N 2 1 299.378 1.551 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001494874112 972327801 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CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571388593 1170405194 /nfs/dbraw/zinc/40/51/94/1170405194.db2.gz SYPYGQBFCZZRLL-BFHYXJOUSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001656830953 1171884369 /nfs/dbraw/zinc/88/43/69/1171884369.db2.gz PZWRJDPNQWJUSF-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@H+]1C ZINC000600723787 342244986 /nfs/dbraw/zinc/24/49/86/342244986.db2.gz LZLYLDCRIPYMGM-AGIUHOORSA-N 2 1 251.374 1.113 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccncc1C#N ZINC000596360454 343310847 /nfs/dbraw/zinc/31/08/47/343310847.db2.gz LGTVBDSIONQZME-ZDUSSCGKSA-N 2 1 275.400 1.059 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccncc1C#N ZINC000596360454 343310848 /nfs/dbraw/zinc/31/08/48/343310848.db2.gz LGTVBDSIONQZME-ZDUSSCGKSA-N 2 1 275.400 1.059 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634702232 357374096 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10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001690165477 1175393181 /nfs/dbraw/zinc/39/31/81/1175393181.db2.gz ZVINGVUBNGKXDC-AEGPPILISA-N 2 1 279.428 1.387 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001690231168 1175408504 /nfs/dbraw/zinc/40/85/04/1175408504.db2.gz HLZVQUDUMBHGBE-PMPSAXMXSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001690231168 1175408515 /nfs/dbraw/zinc/40/85/15/1175408515.db2.gz HLZVQUDUMBHGBE-PMPSAXMXSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941220810 613580868 /nfs/dbraw/zinc/58/08/68/613580868.db2.gz IDPXFIKZEPWZTD-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941220810 613580870 /nfs/dbraw/zinc/58/08/70/613580870.db2.gz IDPXFIKZEPWZTD-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP 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C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001691968116 1158506433 /nfs/dbraw/zinc/50/64/33/1158506433.db2.gz BPYOTVTZJJGSSD-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001691968116 1158506434 /nfs/dbraw/zinc/50/64/34/1158506434.db2.gz BPYOTVTZJJGSSD-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266409598 1158534242 /nfs/dbraw/zinc/53/42/42/1158534242.db2.gz MURIECTZVATLHV-CVEARBPZSA-N 2 1 291.439 1.367 10 30 CDEEMP N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000819322640 695211660 /nfs/dbraw/zinc/21/16/60/695211660.db2.gz UKTYNJURJSXMCT-XJKSGUPXSA-N 2 1 282.347 1.462 10 30 CDEEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)C[C@H]1C ZINC000852870404 695286326 /nfs/dbraw/zinc/28/63/26/695286326.db2.gz NPBCNNZZAGZGLP-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001691347966 1159030225 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C=CC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001616329934 1165565325 /nfs/dbraw/zinc/56/53/25/1165565325.db2.gz BLBADWIVKXMDJX-CYBMUJFWSA-N 2 1 283.391 1.187 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001566508079 1168316627 /nfs/dbraw/zinc/31/66/27/1168316627.db2.gz RKKOXHWUZUCSPT-UHFFFAOYSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001566913851 1168465129 /nfs/dbraw/zinc/46/51/29/1168465129.db2.gz VQQNRBSGRVWPIP-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381482 1169832794 /nfs/dbraw/zinc/83/27/94/1169832794.db2.gz QVHXFHVHUNPMHM-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001569860559 1170020662 /nfs/dbraw/zinc/02/06/62/1170020662.db2.gz WIYLGBYNJQNKJB-MUJYYYPQSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001570186226 1170105026 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CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001700468220 1176956234 /nfs/dbraw/zinc/95/62/34/1176956234.db2.gz XSINPOUMZYPOQY-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001700468220 1176956237 /nfs/dbraw/zinc/95/62/37/1176956237.db2.gz XSINPOUMZYPOQY-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700520864 1176992772 /nfs/dbraw/zinc/99/27/72/1176992772.db2.gz RADHVOVAULHNID-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001700905002 1177189894 /nfs/dbraw/zinc/18/98/94/1177189894.db2.gz CLHYTKOJQHFBAE-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001707067096 1177938711 /nfs/dbraw/zinc/93/87/11/1177938711.db2.gz ZUXIZIYEJJIPOE-XHSDSOJGSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001707276697 1177988278 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293.455 1.472 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715040477 1179522095 /nfs/dbraw/zinc/52/20/95/1179522095.db2.gz QCCVYHVCJJRUPW-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715040477 1179522099 /nfs/dbraw/zinc/52/20/99/1179522099.db2.gz QCCVYHVCJJRUPW-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715040477 1179522105 /nfs/dbraw/zinc/52/21/05/1179522105.db2.gz QCCVYHVCJJRUPW-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001715179999 1179571393 /nfs/dbraw/zinc/57/13/93/1179571393.db2.gz SWUVRLKZMUBXAY-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001715547745 1179711743 /nfs/dbraw/zinc/71/17/43/1179711743.db2.gz ACGKUZFQDHAIDF-CABCVRRESA-N 2 1 288.395 1.089 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC1CC1 ZINC001715857619 1179873992 /nfs/dbraw/zinc/87/39/92/1179873992.db2.gz DIJWEJRLYNLTDQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC1CC1 ZINC001715857619 1179873995 /nfs/dbraw/zinc/87/39/95/1179873995.db2.gz DIJWEJRLYNLTDQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CC1 ZINC001715857619 1179874005 /nfs/dbraw/zinc/87/40/05/1179874005.db2.gz DIJWEJRLYNLTDQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1CC1 ZINC001715857619 1179874026 /nfs/dbraw/zinc/87/40/26/1179874026.db2.gz DIJWEJRLYNLTDQ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715916318 1179911583 /nfs/dbraw/zinc/91/15/83/1179911583.db2.gz WHJPQMMUDLLXRK-LZNQSLFOSA-N 2 1 277.412 1.146 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001716695588 1180374267 /nfs/dbraw/zinc/37/42/67/1180374267.db2.gz HUNWKWQPDIGDEB-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001716884544 1180453641 /nfs/dbraw/zinc/45/36/41/1180453641.db2.gz XZXJPTBMLGQJRI-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001717151874 1180550445 /nfs/dbraw/zinc/55/04/45/1180550445.db2.gz GNGXUMVINKCLQA-UHFFFAOYSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001717454368 1180677900 /nfs/dbraw/zinc/67/79/00/1180677900.db2.gz YTIPQKMWILHDGB-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001717854904 1180895611 /nfs/dbraw/zinc/89/56/11/1180895611.db2.gz ZWUAWYDIHDGPKX-KGLIPLIRSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001723310326 1181536092 /nfs/dbraw/zinc/53/60/92/1181536092.db2.gz CJKSTUNAJAEDCU-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001723384343 1181546225 /nfs/dbraw/zinc/54/62/25/1181546225.db2.gz ICWRCNOISDWKLJ-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723748936 1181600459 /nfs/dbraw/zinc/60/04/59/1181600459.db2.gz WHDQUCJJBPNJSY-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001724758578 1181739815 /nfs/dbraw/zinc/73/98/15/1181739815.db2.gz FYHYPBOAWZVOBW-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001725369033 1181977842 /nfs/dbraw/zinc/97/78/42/1181977842.db2.gz MSAPOBISLXKMOC-HDJSIYSDSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001731308690 1182310480 /nfs/dbraw/zinc/31/04/80/1182310480.db2.gz DTTYXALBFBLCOO-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001731308690 1182310486 /nfs/dbraw/zinc/31/04/86/1182310486.db2.gz DTTYXALBFBLCOO-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001731308690 1182310489 /nfs/dbraw/zinc/31/04/89/1182310489.db2.gz DTTYXALBFBLCOO-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732049355 1182741539 /nfs/dbraw/zinc/74/15/39/1182741539.db2.gz QIXMULFILUVUBJ-GJZGRUSLSA-N 2 1 297.418 1.128 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001732118168 1182782131 /nfs/dbraw/zinc/78/21/31/1182782131.db2.gz ANVJRDBWIGGPGA-INIZCTEOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001732533461 1182999182 /nfs/dbraw/zinc/99/91/82/1182999182.db2.gz SDKCESBQSSZXAY-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001732908305 1183179430 /nfs/dbraw/zinc/17/94/30/1183179430.db2.gz CRNZFDYAEGKXFI-SWJNODNISA-N 2 1 289.423 1.289 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001733605115 1183478318 /nfs/dbraw/zinc/47/83/18/1183478318.db2.gz FLWNCWXILUPPSO-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001733605115 1183478319 /nfs/dbraw/zinc/47/83/19/1183478319.db2.gz FLWNCWXILUPPSO-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001733605115 1183478321 /nfs/dbraw/zinc/47/83/21/1183478321.db2.gz FLWNCWXILUPPSO-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001733669497 1183493134 /nfs/dbraw/zinc/49/31/34/1183493134.db2.gz BTEXTDKQWBRCSE-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001733939674 1183576648 /nfs/dbraw/zinc/57/66/48/1183576648.db2.gz OYUAVVYBFVCAEC-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001733939674 1183576650 /nfs/dbraw/zinc/57/66/50/1183576650.db2.gz OYUAVVYBFVCAEC-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001734039293 1183629990 /nfs/dbraw/zinc/62/99/90/1183629990.db2.gz KAYXXOBCKQDSSV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001734039293 1183629991 /nfs/dbraw/zinc/62/99/91/1183629991.db2.gz KAYXXOBCKQDSSV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001734039293 1183629992 /nfs/dbraw/zinc/62/99/92/1183629992.db2.gz KAYXXOBCKQDSSV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001734045382 1183632727 /nfs/dbraw/zinc/63/27/27/1183632727.db2.gz SKVVYEJVOOXTRF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001734045382 1183632729 /nfs/dbraw/zinc/63/27/29/1183632729.db2.gz SKVVYEJVOOXTRF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001734045382 1183632732 /nfs/dbraw/zinc/63/27/32/1183632732.db2.gz SKVVYEJVOOXTRF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001734350246 1183743036 /nfs/dbraw/zinc/74/30/36/1183743036.db2.gz GDXWNPQLJYKDRK-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000829775231 723751472 /nfs/dbraw/zinc/75/14/72/723751472.db2.gz ZQBAOSFMBROWCY-CABCVRRESA-N 2 1 250.386 1.178 10 30 CDEEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OCC#N)cc1 ZINC000863540525 724452425 /nfs/dbraw/zinc/45/24/25/724452425.db2.gz FLHNDPRZHCQYAO-ZDUSSCGKSA-N 2 1 289.379 1.747 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000837159772 724668698 /nfs/dbraw/zinc/66/86/98/724668698.db2.gz MYBVDZFAVXGQNR-OAHLLOKOSA-N 2 1 273.380 1.277 10 30 CDEEMP COc1c[nH+]ccc1N1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801953193 724097509 /nfs/dbraw/zinc/09/75/09/724097509.db2.gz KRBHGQMDOKYDKP-ZDUSSCGKSA-N 2 1 290.367 1.141 10 30 CDEEMP CCO[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)C[NH+](C)C ZINC000926963525 724260218 /nfs/dbraw/zinc/26/02/18/724260218.db2.gz UVZULPSWICVSHU-HZSPNIEDSA-N 2 1 253.390 1.625 10 30 CDEEMP C#CC[NH+]1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1 ZINC000856592206 725362406 /nfs/dbraw/zinc/36/24/06/725362406.db2.gz GIXYTNAGLQACEH-MRXNPFEDSA-N 2 1 273.380 1.620 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592206 725362409 /nfs/dbraw/zinc/36/24/09/725362409.db2.gz GIXYTNAGLQACEH-MRXNPFEDSA-N 2 1 273.380 1.620 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592206 725362412 /nfs/dbraw/zinc/36/24/12/725362412.db2.gz GIXYTNAGLQACEH-MRXNPFEDSA-N 2 1 273.380 1.620 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261944229 725442241 /nfs/dbraw/zinc/44/22/41/725442241.db2.gz FGVZBYPJWJWEGB-HZSPNIEDSA-N 2 1 282.432 1.059 10 30 CDEEMP C#CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566878170 1168452411 /nfs/dbraw/zinc/45/24/11/1168452411.db2.gz NDJNCELXJUGNMM-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566878170 1168452414 /nfs/dbraw/zinc/45/24/14/1168452414.db2.gz NDJNCELXJUGNMM-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566878170 1168452420 /nfs/dbraw/zinc/45/24/20/1168452420.db2.gz NDJNCELXJUGNMM-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566878169 1168454165 /nfs/dbraw/zinc/45/41/65/1168454165.db2.gz NDJNCELXJUGNMM-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566878169 1168454168 /nfs/dbraw/zinc/45/41/68/1168454168.db2.gz NDJNCELXJUGNMM-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001566878169 1168454173 /nfs/dbraw/zinc/45/41/73/1168454173.db2.gz NDJNCELXJUGNMM-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001566925763 1168471521 /nfs/dbraw/zinc/47/15/21/1168471521.db2.gz OYYBDLZWFVLUCH-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001567324677 1168680428 /nfs/dbraw/zinc/68/04/28/1168680428.db2.gz YAKXTHYCXWMNHR-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266347605 894485926 /nfs/dbraw/zinc/48/59/26/894485926.db2.gz OEGWIDKWNAZYBV-UHFFFAOYSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001266348293 894488175 /nfs/dbraw/zinc/48/81/75/894488175.db2.gz YVUVCFLYLQZXOW-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001266348293 894488181 /nfs/dbraw/zinc/48/81/81/894488181.db2.gz YVUVCFLYLQZXOW-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001266348293 894488191 /nfs/dbraw/zinc/48/81/91/894488191.db2.gz YVUVCFLYLQZXOW-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266467786 894994342 /nfs/dbraw/zinc/99/43/42/894994342.db2.gz DAWKZHMGQGNCTM-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266495346 895057278 /nfs/dbraw/zinc/05/72/78/895057278.db2.gz LBQWGNOCCVMLBS-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266495346 895057294 /nfs/dbraw/zinc/05/72/94/895057294.db2.gz LBQWGNOCCVMLBS-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267185276 897057288 /nfs/dbraw/zinc/05/72/88/897057288.db2.gz LWRMZXZFVZBCEP-SQWLQELKSA-N 2 1 293.455 1.729 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001267513997 898195099 /nfs/dbraw/zinc/19/50/99/898195099.db2.gz HZKHPJDQPWLMFO-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001267558298 898355607 /nfs/dbraw/zinc/35/56/07/898355607.db2.gz WDCSZYVKCWOSLW-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001267558298 898355616 /nfs/dbraw/zinc/35/56/16/898355616.db2.gz WDCSZYVKCWOSLW-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](C(C)C)C1 ZINC001267558298 898355627 /nfs/dbraw/zinc/35/56/27/898355627.db2.gz WDCSZYVKCWOSLW-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](C(C)C)C1 ZINC001267558298 898355639 /nfs/dbraw/zinc/35/56/39/898355639.db2.gz WDCSZYVKCWOSLW-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](C(C)C)C1 ZINC001267558298 898355649 /nfs/dbraw/zinc/35/56/49/898355649.db2.gz WDCSZYVKCWOSLW-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001481044543 898673363 /nfs/dbraw/zinc/67/33/63/898673363.db2.gz QZRYINVTYRRLGX-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001481044543 898673369 /nfs/dbraw/zinc/67/33/69/898673369.db2.gz QZRYINVTYRRLGX-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001481044543 898673376 /nfs/dbraw/zinc/67/33/76/898673376.db2.gz QZRYINVTYRRLGX-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001481045170 898676320 /nfs/dbraw/zinc/67/63/20/898676320.db2.gz HWOGVJHGWMLTTB-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001267619279 899028726 /nfs/dbraw/zinc/02/87/26/899028726.db2.gz FQLHCXVJUSULRS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267619279 899028736 /nfs/dbraw/zinc/02/87/36/899028736.db2.gz FQLHCXVJUSULRS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001267619279 899028745 /nfs/dbraw/zinc/02/87/45/899028745.db2.gz FQLHCXVJUSULRS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267687536 899281570 /nfs/dbraw/zinc/28/15/70/899281570.db2.gz HGYWYLLQWLYMOX-DZGCQCFKSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001567748633 1168948686 /nfs/dbraw/zinc/94/86/86/1168948686.db2.gz NBOPWKWLMRKFRR-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001567748633 1168948690 /nfs/dbraw/zinc/94/86/90/1168948690.db2.gz NBOPWKWLMRKFRR-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001567748633 1168948699 /nfs/dbraw/zinc/94/86/99/1168948699.db2.gz NBOPWKWLMRKFRR-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001567749901 1168952226 /nfs/dbraw/zinc/95/22/26/1168952226.db2.gz UFJIQGHUAUMYAD-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001567749901 1168952243 /nfs/dbraw/zinc/95/22/43/1168952243.db2.gz UFJIQGHUAUMYAD-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001567749901 1168952254 /nfs/dbraw/zinc/95/22/54/1168952254.db2.gz UFJIQGHUAUMYAD-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268473055 902264955 /nfs/dbraw/zinc/26/49/55/902264955.db2.gz ASGUGYHATYNOFQ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269350476 903725363 /nfs/dbraw/zinc/72/53/63/903725363.db2.gz IZEVQJXSKZJQSR-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001269350476 903725373 /nfs/dbraw/zinc/72/53/73/903725373.db2.gz IZEVQJXSKZJQSR-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356339 903729264 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ZINC001570530696 1170182294 /nfs/dbraw/zinc/18/22/94/1170182294.db2.gz PDFUGBIMQARPIX-RBSFLKMASA-N 2 1 279.428 1.435 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@H]2CCC[C@@H]21 ZINC000586789963 342469123 /nfs/dbraw/zinc/46/91/23/342469123.db2.gz VBQGLNXOPZSLQC-PMPSAXMXSA-N 2 1 276.428 1.437 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc(C#N)cc1)CCO2 ZINC000592183093 342679539 /nfs/dbraw/zinc/67/95/39/342679539.db2.gz RGHNPLJSCCNKGV-UHFFFAOYSA-N 2 1 285.391 1.855 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C#N)cc1)CCO2 ZINC000592183093 342679541 /nfs/dbraw/zinc/67/95/41/342679541.db2.gz RGHNPLJSCCNKGV-UHFFFAOYSA-N 2 1 285.391 1.855 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000594439404 342906798 /nfs/dbraw/zinc/90/67/98/342906798.db2.gz VLYGGUMWTROQLV-CQSZACIVSA-N 2 1 278.400 1.094 10 30 CDEEMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600729789 342245598 /nfs/dbraw/zinc/24/55/98/342245598.db2.gz HXZRZLCTQPMNQH-GJZGRUSLSA-N 2 1 279.428 1.609 10 30 CDEEMP COCC[NH2+]C1CC[NH+](CCc2ccc(C#N)cc2)CC1 ZINC000595896009 343183112 /nfs/dbraw/zinc/18/31/12/343183112.db2.gz CHDXXSPJNZMYMA-UHFFFAOYSA-N 2 1 287.407 1.801 10 30 CDEEMP C[C@@H](CCC#N)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908210 343189052 /nfs/dbraw/zinc/18/90/52/343189052.db2.gz ZZKGXQPGFZAQGE-KBPBESRZSA-N 2 1 253.390 1.721 10 30 CDEEMP C[C@@H](CCC#N)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908210 343189054 /nfs/dbraw/zinc/18/90/54/343189054.db2.gz ZZKGXQPGFZAQGE-KBPBESRZSA-N 2 1 253.390 1.721 10 30 CDEEMP Cc1ccnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596360922 343310894 /nfs/dbraw/zinc/31/08/94/343310894.db2.gz NQUMYGSPOWMWOV-AWEZNQCLSA-N 2 1 289.427 1.946 10 30 CDEEMP Cc1ccnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596360922 343310897 /nfs/dbraw/zinc/31/08/97/343310897.db2.gz NQUMYGSPOWMWOV-AWEZNQCLSA-N 2 1 289.427 1.946 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ncc(C#N)cc1Cl ZINC000596424670 343311501 /nfs/dbraw/zinc/31/15/01/343311501.db2.gz JXCMGTBWCZFKRZ-UHFFFAOYSA-N 2 1 295.818 1.902 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(C#N)cc1Cl ZINC000596424670 343311503 /nfs/dbraw/zinc/31/15/03/343311503.db2.gz JXCMGTBWCZFKRZ-UHFFFAOYSA-N 2 1 295.818 1.902 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001660631431 1172244947 /nfs/dbraw/zinc/24/49/47/1172244947.db2.gz GOURUBKDVFKNFQ-UHFFFAOYSA-N 2 1 279.428 1.324 10 30 CDEEMP CCN(CCC#N)C(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247090719 361009024 /nfs/dbraw/zinc/00/90/24/361009024.db2.gz XNAOAQHEVMSUIB-UONOGXRCSA-N 2 1 280.416 1.163 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001661027943 1172322527 /nfs/dbraw/zinc/32/25/27/1172322527.db2.gz FEFJRTLMKUJRIS-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001661027943 1172322536 /nfs/dbraw/zinc/32/25/36/1172322536.db2.gz FEFJRTLMKUJRIS-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001661280111 1172362536 /nfs/dbraw/zinc/36/25/36/1172362536.db2.gz NDVOBMGUEXQRDK-GASCZTMLSA-N 2 1 279.428 1.578 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001661280111 1172362545 /nfs/dbraw/zinc/36/25/45/1172362545.db2.gz NDVOBMGUEXQRDK-GASCZTMLSA-N 2 1 279.428 1.578 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001661280111 1172362551 /nfs/dbraw/zinc/36/25/51/1172362551.db2.gz NDVOBMGUEXQRDK-GASCZTMLSA-N 2 1 279.428 1.578 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001661280111 1172362533 /nfs/dbraw/zinc/36/25/33/1172362533.db2.gz NDVOBMGUEXQRDK-GASCZTMLSA-N 2 1 279.428 1.578 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001661437019 1172390980 /nfs/dbraw/zinc/39/09/80/1172390980.db2.gz WUAYIOUKPGBKKV-YHUYYLMFSA-N 2 1 291.439 1.816 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001661881346 1172461901 /nfs/dbraw/zinc/46/19/01/1172461901.db2.gz WCEXCXPRUFISQE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001661881346 1172461908 /nfs/dbraw/zinc/46/19/08/1172461908.db2.gz WCEXCXPRUFISQE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001661881346 1172461915 /nfs/dbraw/zinc/46/19/15/1172461915.db2.gz WCEXCXPRUFISQE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001661881346 1172461929 /nfs/dbraw/zinc/46/19/29/1172461929.db2.gz WCEXCXPRUFISQE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC(C[NH2+]CC)CC2)nn1 ZINC000655937588 412952772 /nfs/dbraw/zinc/95/27/72/412952772.db2.gz BKZLLNJOQLGRQL-UHFFFAOYSA-N 2 1 277.416 1.676 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001662839178 1172603343 /nfs/dbraw/zinc/60/33/43/1172603343.db2.gz ORKBTGVXFTWCLI-BZUAXINKSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001662839178 1172603347 /nfs/dbraw/zinc/60/33/47/1172603347.db2.gz ORKBTGVXFTWCLI-BZUAXINKSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001662839178 1172603353 /nfs/dbraw/zinc/60/33/53/1172603353.db2.gz ORKBTGVXFTWCLI-BZUAXINKSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000655941415 412954359 /nfs/dbraw/zinc/95/43/59/412954359.db2.gz TUDGKKAWFJIBRI-CABCVRRESA-N 2 1 289.427 1.676 10 30 CDEEMP C[C@H](CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000575062830 335061005 /nfs/dbraw/zinc/06/10/05/335061005.db2.gz AQMZVFPRSISENV-HZPDHXFCSA-N 2 1 278.444 1.781 10 30 CDEEMP C[C@H](CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000575062830 335061006 /nfs/dbraw/zinc/06/10/06/335061006.db2.gz AQMZVFPRSISENV-HZPDHXFCSA-N 2 1 278.444 1.781 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647525252 390672066 /nfs/dbraw/zinc/67/20/66/390672066.db2.gz IHOCODCAKFTGFF-JKSUJKDBSA-N 2 1 278.396 1.006 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647525252 390672068 /nfs/dbraw/zinc/67/20/68/390672068.db2.gz IHOCODCAKFTGFF-JKSUJKDBSA-N 2 1 278.396 1.006 10 30 CDEEMP C=CC(C)(C)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665023184 413796294 /nfs/dbraw/zinc/79/62/94/413796294.db2.gz DBGPQVPMNSVYIS-AWEZNQCLSA-N 2 1 298.475 1.770 10 30 CDEEMP C=CC(C)(C)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665023184 413796306 /nfs/dbraw/zinc/79/63/06/413796306.db2.gz DBGPQVPMNSVYIS-AWEZNQCLSA-N 2 1 298.475 1.770 10 30 CDEEMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000661114531 413806377 /nfs/dbraw/zinc/80/63/77/413806377.db2.gz IXKVEOMUJPGNLJ-OAGGEKHMSA-N 2 1 284.444 1.650 10 30 CDEEMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000661114531 413806382 /nfs/dbraw/zinc/80/63/82/413806382.db2.gz IXKVEOMUJPGNLJ-OAGGEKHMSA-N 2 1 284.444 1.650 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCCC[C@@H]2CO)c1 ZINC000043689007 175095851 /nfs/dbraw/zinc/09/58/51/175095851.db2.gz CVCVSGBMUCGMLO-CYBMUJFWSA-N 2 1 264.394 1.405 10 30 CDEEMP CC(C)C[N@H+](CCCC[C@](C)([NH3+])C#N)CCN(C)C ZINC000045314014 175357469 /nfs/dbraw/zinc/35/74/69/175357469.db2.gz DKTFZLVIWDPMJX-HNNXBMFYSA-N 2 1 268.449 1.917 10 30 CDEEMP CC(C)C[N@@H+](CCCC[C@](C)([NH3+])C#N)CCN(C)C ZINC000045314014 175357470 /nfs/dbraw/zinc/35/74/70/175357470.db2.gz DKTFZLVIWDPMJX-HNNXBMFYSA-N 2 1 268.449 1.917 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])s1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190469 176067130 /nfs/dbraw/zinc/06/71/30/176067130.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 2 1 277.437 1.442 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CC[NH+](C)C1 ZINC000071190469 176067131 /nfs/dbraw/zinc/06/71/31/176067131.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CC[NH+](C)C1 ZINC000071190469 176067132 /nfs/dbraw/zinc/06/71/32/176067132.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CC[N@H+](C)C1 ZINC000071190469 176067134 /nfs/dbraw/zinc/06/71/34/176067134.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])s1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190469 176067135 /nfs/dbraw/zinc/06/71/35/176067135.db2.gz FWHLWTFPCCLAGU-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001667203897 1173244878 /nfs/dbraw/zinc/24/48/78/1173244878.db2.gz MQPQIMPCAABEHO-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001667508244 1173278990 /nfs/dbraw/zinc/27/89/90/1173278990.db2.gz HKCSGFBXOZDYNL-LSDHHAIUSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001667663865 1173308195 /nfs/dbraw/zinc/30/81/95/1173308195.db2.gz CWXGIKXJHXODDS-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001667663865 1173308204 /nfs/dbraw/zinc/30/82/04/1173308204.db2.gz CWXGIKXJHXODDS-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001667663865 1173308212 /nfs/dbraw/zinc/30/82/12/1173308212.db2.gz CWXGIKXJHXODDS-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668833784 1173471287 /nfs/dbraw/zinc/47/12/87/1173471287.db2.gz KJMDYTBLXDVWDP-AVFOFMLLSA-N 2 1 293.455 1.943 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001669380201 1173542950 /nfs/dbraw/zinc/54/29/50/1173542950.db2.gz BSNLVOKODMEJBV-ILXRZTDVSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001672319907 1173764783 /nfs/dbraw/zinc/76/47/83/1173764783.db2.gz BKXVMXGPQMXKKW-KGLIPLIRSA-N 2 1 267.417 1.198 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267054912 1159101760 /nfs/dbraw/zinc/10/17/60/1159101760.db2.gz HLURDGCBMKEVOC-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@H](COC)C1 ZINC000262486522 330016926 /nfs/dbraw/zinc/01/69/26/330016926.db2.gz SSRVNSSNMAJAPT-KBPBESRZSA-N 2 1 282.432 1.014 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000424297255 330336359 /nfs/dbraw/zinc/33/63/59/330336359.db2.gz QAEQSRUDKAENBD-QPSCCSFWSA-N 2 1 252.402 1.897 10 30 CDEEMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001481857314 1159950782 /nfs/dbraw/zinc/95/07/82/1159950782.db2.gz UUZJLAAUWGGONN-HOTGVXAUSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001271711945 1160348966 /nfs/dbraw/zinc/34/89/66/1160348966.db2.gz NCJULLNSSNZCBQ-JSGCOSHPSA-N 2 1 276.384 1.062 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001483480098 1160928453 /nfs/dbraw/zinc/92/84/53/1160928453.db2.gz YRDUPUUEJWOIDI-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707420810 1178036680 /nfs/dbraw/zinc/03/66/80/1178036680.db2.gz BUMVEKWRAZVASG-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661664 1161441478 /nfs/dbraw/zinc/44/14/78/1161441478.db2.gz WNAANUPJCQOMLQ-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661664 1161441482 /nfs/dbraw/zinc/44/14/82/1161441482.db2.gz WNAANUPJCQOMLQ-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717497660 1180710955 /nfs/dbraw/zinc/71/09/55/1180710955.db2.gz HJGXSHFKXUUMSH-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001717497660 1180710959 /nfs/dbraw/zinc/71/09/59/1180710959.db2.gz HJGXSHFKXUUMSH-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001717497660 1180710962 /nfs/dbraw/zinc/71/09/62/1180710962.db2.gz HJGXSHFKXUUMSH-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733052567 1183266207 /nfs/dbraw/zinc/26/62/07/1183266207.db2.gz DPIJLVBGHAGJFT-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733052567 1183266212 /nfs/dbraw/zinc/26/62/12/1183266212.db2.gz DPIJLVBGHAGJFT-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733052567 1183266217 /nfs/dbraw/zinc/26/62/17/1183266217.db2.gz DPIJLVBGHAGJFT-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001689059463 1175090306 /nfs/dbraw/zinc/09/03/06/1175090306.db2.gz ZUZKZXYNAFYNIS-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690114303 1175380502 /nfs/dbraw/zinc/38/05/02/1175380502.db2.gz MPBOZDJROHUHPY-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753044 613228652 /nfs/dbraw/zinc/22/86/52/613228652.db2.gz INHMLQSQMQRKMR-RBSFLKMASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753044 613228654 /nfs/dbraw/zinc/22/86/54/613228654.db2.gz INHMLQSQMQRKMR-RBSFLKMASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753044 613228655 /nfs/dbraw/zinc/22/86/55/613228655.db2.gz INHMLQSQMQRKMR-RBSFLKMASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842627 613229088 /nfs/dbraw/zinc/22/90/88/613229088.db2.gz KUDDVCGKVBZOPH-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842627 613229089 /nfs/dbraw/zinc/22/90/89/613229089.db2.gz KUDDVCGKVBZOPH-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842627 613229090 /nfs/dbraw/zinc/22/90/90/613229090.db2.gz KUDDVCGKVBZOPH-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941221622 613522606 /nfs/dbraw/zinc/52/26/06/613522606.db2.gz YXJGOJLJZIENRC-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221622 613522608 /nfs/dbraw/zinc/52/26/08/613522608.db2.gz YXJGOJLJZIENRC-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221622 613522612 /nfs/dbraw/zinc/52/26/12/613522612.db2.gz YXJGOJLJZIENRC-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+](C)C(C)C ZINC000900186520 622782472 /nfs/dbraw/zinc/78/24/72/622782472.db2.gz WGEOWBIFGLKWBG-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](C)CCCC ZINC000900671918 623358292 /nfs/dbraw/zinc/35/82/92/623358292.db2.gz GLPAOIZBRSILDZ-UHFFFAOYSA-N 2 1 255.406 1.342 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151769 625877458 /nfs/dbraw/zinc/87/74/58/625877458.db2.gz KERIEWYIQOPHJX-IKKMQULASA-N 2 1 250.386 1.671 10 30 CDEEMP C=CC[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505616 626009567 /nfs/dbraw/zinc/00/95/67/626009567.db2.gz FGCJDDAOUCBKNF-BMFZPTHFSA-N 2 1 263.429 1.852 10 30 CDEEMP C=CC[C@@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505616 626009568 /nfs/dbraw/zinc/00/95/68/626009568.db2.gz FGCJDDAOUCBKNF-BMFZPTHFSA-N 2 1 263.429 1.852 10 30 CDEEMP C=CC[C@@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505616 626009569 /nfs/dbraw/zinc/00/95/69/626009569.db2.gz FGCJDDAOUCBKNF-BMFZPTHFSA-N 2 1 263.429 1.852 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903936124 626154358 /nfs/dbraw/zinc/15/43/58/626154358.db2.gz YNXLHEKFPMBYIH-KGLIPLIRSA-N 2 1 275.400 1.601 10 30 CDEEMP COCC[N@H+]1CCC[C@@H]1CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509816 630049202 /nfs/dbraw/zinc/04/92/02/630049202.db2.gz SMGQOWGRTAOVIZ-CQSZACIVSA-N 2 1 298.475 1.839 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266533245 1158599341 /nfs/dbraw/zinc/59/93/41/1158599341.db2.gz GMWOLUBMKFVSPZ-AWEZNQCLSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266533245 1158599344 /nfs/dbraw/zinc/59/93/44/1158599344.db2.gz GMWOLUBMKFVSPZ-AWEZNQCLSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001266533245 1158599346 /nfs/dbraw/zinc/59/93/46/1158599346.db2.gz GMWOLUBMKFVSPZ-AWEZNQCLSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCC(=C)C ZINC001691023446 1158539290 /nfs/dbraw/zinc/53/92/90/1158539290.db2.gz FDEVJCIOEFJJJA-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCC(=C)C ZINC001691023446 1158539292 /nfs/dbraw/zinc/53/92/92/1158539292.db2.gz FDEVJCIOEFJJJA-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC(=C)C ZINC001691023446 1158539294 /nfs/dbraw/zinc/53/92/94/1158539294.db2.gz FDEVJCIOEFJJJA-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC(=C)C ZINC001691023446 1158539295 /nfs/dbraw/zinc/53/92/95/1158539295.db2.gz FDEVJCIOEFJJJA-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691040458 1158668941 /nfs/dbraw/zinc/66/89/41/1158668941.db2.gz LVVILKOSDUDNQN-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001691040458 1158668943 /nfs/dbraw/zinc/66/89/43/1158668943.db2.gz LVVILKOSDUDNQN-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001691040458 1158668945 /nfs/dbraw/zinc/66/89/45/1158668945.db2.gz LVVILKOSDUDNQN-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691553665 1160699307 /nfs/dbraw/zinc/69/93/07/1160699307.db2.gz BLDQCOLVSFQYIM-DLBZAZTESA-N 2 1 299.418 1.156 10 30 CDEEMP C#CC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691553665 1160699309 /nfs/dbraw/zinc/69/93/09/1160699309.db2.gz BLDQCOLVSFQYIM-DLBZAZTESA-N 2 1 299.418 1.156 10 30 CDEEMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001700735376 1160798713 /nfs/dbraw/zinc/79/87/13/1160798713.db2.gz BHZMZRPUIXZTGA-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568274606 1168101465 /nfs/dbraw/zinc/10/14/65/1168101465.db2.gz XSXUECJUZWKIKI-SOUVJXGZSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567764077 1168958459 /nfs/dbraw/zinc/95/84/59/1168958459.db2.gz BJARRQVRCIOEFM-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001567861043 1169023958 /nfs/dbraw/zinc/02/39/58/1169023958.db2.gz HNEMREHBKFGMAR-KKUMJFAQSA-N 2 1 279.428 1.578 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC=C ZINC001568176054 1169161684 /nfs/dbraw/zinc/16/16/84/1169161684.db2.gz BUENDKATERTWSK-CABCVRRESA-N 2 1 277.412 1.002 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC=C ZINC001568176054 1169161687 /nfs/dbraw/zinc/16/16/87/1169161687.db2.gz BUENDKATERTWSK-CABCVRRESA-N 2 1 277.412 1.002 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001568497538 1169333049 /nfs/dbraw/zinc/33/30/49/1169333049.db2.gz HZVTUZSVADFSFI-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001570192549 1170106849 /nfs/dbraw/zinc/10/68/49/1170106849.db2.gz KOFXXGGUNWXMBN-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001570192549 1170106851 /nfs/dbraw/zinc/10/68/51/1170106851.db2.gz KOFXXGGUNWXMBN-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001570192549 1170106854 /nfs/dbraw/zinc/10/68/54/1170106854.db2.gz KOFXXGGUNWXMBN-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001570385063 1170148297 /nfs/dbraw/zinc/14/82/97/1170148297.db2.gz XZUHCTNMDPWFEB-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC=C)C1 ZINC001661609877 1172415544 /nfs/dbraw/zinc/41/55/44/1172415544.db2.gz COBJWHYGYTYWDU-XHSDSOJGSA-N 2 1 289.423 1.287 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC=C)C1 ZINC001661609877 1172415554 /nfs/dbraw/zinc/41/55/54/1172415554.db2.gz COBJWHYGYTYWDU-XHSDSOJGSA-N 2 1 289.423 1.287 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001661792989 1172448255 /nfs/dbraw/zinc/44/82/55/1172448255.db2.gz JYOYVNXPBUMCOD-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001663301243 1172670349 /nfs/dbraw/zinc/67/03/49/1172670349.db2.gz VCPXQPXFKQOAIW-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001663301243 1172670352 /nfs/dbraw/zinc/67/03/52/1172670352.db2.gz VCPXQPXFKQOAIW-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001666323529 1173126500 /nfs/dbraw/zinc/12/65/00/1173126500.db2.gz SEYJWMVTLJRCHL-SHTZXODSSA-N 2 1 288.395 1.232 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001666606295 1173161376 /nfs/dbraw/zinc/16/13/76/1173161376.db2.gz YJGAUIWGSWMJAQ-HZPDHXFCSA-N 2 1 293.455 1.474 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667023740 1173223512 /nfs/dbraw/zinc/22/35/12/1173223512.db2.gz PTYXYTDRXQVEGF-CYBMUJFWSA-N 2 1 299.378 1.503 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001669214792 1173518987 /nfs/dbraw/zinc/51/89/87/1173518987.db2.gz ZQPXEORCNCCCMW-CMDGGOBGSA-N 2 1 299.418 1.404 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001669214792 1173518992 /nfs/dbraw/zinc/51/89/92/1173518992.db2.gz ZQPXEORCNCCCMW-CMDGGOBGSA-N 2 1 299.418 1.404 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCCC ZINC001669320287 1173536856 /nfs/dbraw/zinc/53/68/56/1173536856.db2.gz HFASGHBWLOWQMJ-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCCC ZINC001669320287 1173536861 /nfs/dbraw/zinc/53/68/61/1173536861.db2.gz HFASGHBWLOWQMJ-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001674551336 1173961989 /nfs/dbraw/zinc/96/19/89/1173961989.db2.gz OGUGXVMZZQOSKM-NRXISQOPSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001690164686 1175391583 /nfs/dbraw/zinc/39/15/83/1175391583.db2.gz LHRUOZCBWBDOLZ-CVEARBPZSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001690586772 1175514273 /nfs/dbraw/zinc/51/42/73/1175514273.db2.gz HPFZRGDGLPXSIQ-RDJZCZTQSA-N 2 1 299.418 1.379 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1 ZINC001690586772 1175514278 /nfs/dbraw/zinc/51/42/78/1175514278.db2.gz HPFZRGDGLPXSIQ-RDJZCZTQSA-N 2 1 299.418 1.379 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001698564727 1175847032 /nfs/dbraw/zinc/84/70/32/1175847032.db2.gz WREZLBVDVYJKBA-AWEZNQCLSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698564727 1175847037 /nfs/dbraw/zinc/84/70/37/1175847037.db2.gz WREZLBVDVYJKBA-AWEZNQCLSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001698564727 1175847044 /nfs/dbraw/zinc/84/70/44/1175847044.db2.gz WREZLBVDVYJKBA-AWEZNQCLSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001698944313 1175991821 /nfs/dbraw/zinc/99/18/21/1175991821.db2.gz GNQNGECKPVGDLB-ZFWWWQNUSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699098444 1176092009 /nfs/dbraw/zinc/09/20/09/1176092009.db2.gz DJBMTUKJSVVOEX-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001699426898 1176389810 /nfs/dbraw/zinc/38/98/10/1176389810.db2.gz FGNXNSYTEDDTCW-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001699794281 1176624885 /nfs/dbraw/zinc/62/48/85/1176624885.db2.gz ZSLRZHKAPDHNEM-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCC1 ZINC001700142107 1176767916 /nfs/dbraw/zinc/76/79/16/1176767916.db2.gz OJWAFNOERDVHIS-UHFFFAOYSA-N 2 1 253.390 1.143 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001700644630 1177053847 /nfs/dbraw/zinc/05/38/47/1177053847.db2.gz YLIRQQAXCRZWGQ-SHTZXODSSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001700822082 1177151133 /nfs/dbraw/zinc/15/11/33/1177151133.db2.gz IRWSQPLTIMXUKK-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001700847837 1177163587 /nfs/dbraw/zinc/16/35/87/1177163587.db2.gz RQEWPTQHUWDGBK-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001701024886 1177243732 /nfs/dbraw/zinc/24/37/32/1177243732.db2.gz JDANDFJZAGPBJL-UHFFFAOYSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001707062276 1177934096 /nfs/dbraw/zinc/93/40/96/1177934096.db2.gz MHPSDYPVICOUSS-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001713142635 1178391586 /nfs/dbraw/zinc/39/15/86/1178391586.db2.gz BRIAAHXJBODFEF-OKILXGFUSA-N 2 1 277.412 1.189 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001713142635 1178391593 /nfs/dbraw/zinc/39/15/93/1178391593.db2.gz BRIAAHXJBODFEF-OKILXGFUSA-N 2 1 277.412 1.189 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001713679430 1178706735 /nfs/dbraw/zinc/70/67/35/1178706735.db2.gz QGFBEGXBVMSHPA-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001713897135 1178828912 /nfs/dbraw/zinc/82/89/12/1178828912.db2.gz OKMBKBLUXDPYAQ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001713897135 1178828917 /nfs/dbraw/zinc/82/89/17/1178828917.db2.gz OKMBKBLUXDPYAQ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001713897135 1178828923 /nfs/dbraw/zinc/82/89/23/1178828923.db2.gz OKMBKBLUXDPYAQ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001713925865 1178851549 /nfs/dbraw/zinc/85/15/49/1178851549.db2.gz PCVVCELZFKINEQ-GASCZTMLSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713926905 1178854137 /nfs/dbraw/zinc/85/41/37/1178854137.db2.gz AYEOTISHIOQYTI-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001714024107 1178932349 /nfs/dbraw/zinc/93/23/49/1178932349.db2.gz BYFICPWSDFAFFA-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001714080872 1178964985 /nfs/dbraw/zinc/96/49/85/1178964985.db2.gz ZGVKGCGABVLRRP-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001714107529 1178975926 /nfs/dbraw/zinc/97/59/26/1178975926.db2.gz RTXGJRZTFJARBE-ZDUSSCGKSA-N 2 1 267.417 1.082 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714250304 1179046893 /nfs/dbraw/zinc/04/68/93/1179046893.db2.gz CNTZSCYSAUOXQY-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714377785 1179112858 /nfs/dbraw/zinc/11/28/58/1179112858.db2.gz BXUGZMMWCYZCLK-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714573144 1179229083 /nfs/dbraw/zinc/22/90/83/1179229083.db2.gz UKYCJXWDDFIVMW-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001714584298 1179240800 /nfs/dbraw/zinc/24/08/00/1179240800.db2.gz FQPLAJVSWPQRLA-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001714884097 1179437457 /nfs/dbraw/zinc/43/74/57/1179437457.db2.gz GRRYRIKGERTTGR-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001714884097 1179437460 /nfs/dbraw/zinc/43/74/60/1179437460.db2.gz GRRYRIKGERTTGR-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001714918735 1179451030 /nfs/dbraw/zinc/45/10/30/1179451030.db2.gz SIBURVZQUUWKBJ-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001715214008 1179578873 /nfs/dbraw/zinc/57/88/73/1179578873.db2.gz QOTOGTUXBHKKSZ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001715319075 1179620924 /nfs/dbraw/zinc/62/09/24/1179620924.db2.gz FUZMPHKNYASEDE-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001715375755 1179648383 /nfs/dbraw/zinc/64/83/83/1179648383.db2.gz NJTKNHZFQWKBTN-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001715496013 1179682817 /nfs/dbraw/zinc/68/28/17/1179682817.db2.gz WBWRUOHKMUVQGV-ZIAGYGMSSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001716329941 1180156274 /nfs/dbraw/zinc/15/62/74/1180156274.db2.gz MLANCYPFIPSETG-YOVCOIKASA-N 2 1 279.428 1.697 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716479119 1180243213 /nfs/dbraw/zinc/24/32/13/1180243213.db2.gz ZCUBTXXURPNHAH-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716479119 1180243217 /nfs/dbraw/zinc/24/32/17/1180243217.db2.gz ZCUBTXXURPNHAH-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716479119 1180243222 /nfs/dbraw/zinc/24/32/22/1180243222.db2.gz ZCUBTXXURPNHAH-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001716519925 1180264257 /nfs/dbraw/zinc/26/42/57/1180264257.db2.gz IEFJSIUIWKWHJB-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001716889368 1180454954 /nfs/dbraw/zinc/45/49/54/1180454954.db2.gz HFRHIAYBEDOWNN-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716963055 1180482654 /nfs/dbraw/zinc/48/26/54/1180482654.db2.gz JEYAPQZYTBWARJ-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001717456523 1180678980 /nfs/dbraw/zinc/67/89/80/1180678980.db2.gz AFFZEXWSEKWKIE-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001717645801 1180771989 /nfs/dbraw/zinc/77/19/89/1180771989.db2.gz MPQCYQDFRWLFLO-MGPQQGTHSA-N 2 1 265.401 1.141 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001717883861 1180912657 /nfs/dbraw/zinc/91/26/57/1180912657.db2.gz FBSLQUKAJNBGET-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001717996746 1180963369 /nfs/dbraw/zinc/96/33/69/1180963369.db2.gz QQUSOCQOOACFRO-NFOMZHRRSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C/C=C/Cl ZINC001723043196 1181513044 /nfs/dbraw/zinc/51/30/44/1181513044.db2.gz FCVDXPPFKPOJHC-GPAKFWEMSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C/C=C/Cl ZINC001723043196 1181513050 /nfs/dbraw/zinc/51/30/50/1181513050.db2.gz FCVDXPPFKPOJHC-GPAKFWEMSA-N 2 1 297.830 1.275 10 30 CDEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001723124063 1181520004 /nfs/dbraw/zinc/52/00/04/1181520004.db2.gz RNVUNIKEMCCBDD-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724539218 1181693037 /nfs/dbraw/zinc/69/30/37/1181693037.db2.gz JVRJZLSUSKCMET-GJZGRUSLSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001725497137 1182024643 /nfs/dbraw/zinc/02/46/43/1182024643.db2.gz VPXMJDGEUOUUPD-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001731251042 1182275190 /nfs/dbraw/zinc/27/51/90/1182275190.db2.gz FWQYERFGAMKBPG-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001731536160 1182438788 /nfs/dbraw/zinc/43/87/88/1182438788.db2.gz LPIDGUYETZTZRA-CABCVRRESA-N 2 1 299.434 1.823 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001731878184 1182646262 /nfs/dbraw/zinc/64/62/62/1182646262.db2.gz UQXGBVFENGCAGG-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001731878184 1182646264 /nfs/dbraw/zinc/64/62/64/1182646264.db2.gz UQXGBVFENGCAGG-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001731878184 1182646267 /nfs/dbraw/zinc/64/62/67/1182646267.db2.gz UQXGBVFENGCAGG-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001731878184 1182646269 /nfs/dbraw/zinc/64/62/69/1182646269.db2.gz UQXGBVFENGCAGG-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001731954001 1182697551 /nfs/dbraw/zinc/69/75/51/1182697551.db2.gz RPISECFZJBSJFS-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001732187963 1182841513 /nfs/dbraw/zinc/84/15/13/1182841513.db2.gz WPVDWSMLLYBLOP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001732302194 1182899056 /nfs/dbraw/zinc/89/90/56/1182899056.db2.gz VUHRZVDQHCAUPP-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001732331698 1182908360 /nfs/dbraw/zinc/90/83/60/1182908360.db2.gz QZXOJWWSDZIEKQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001732331698 1182908365 /nfs/dbraw/zinc/90/83/65/1182908365.db2.gz QZXOJWWSDZIEKQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001732331698 1182908368 /nfs/dbraw/zinc/90/83/68/1182908368.db2.gz QZXOJWWSDZIEKQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001732940722 1183191272 /nfs/dbraw/zinc/19/12/72/1183191272.db2.gz SCFNTXYITSGEKV-XTBPLBNGSA-N 2 1 299.846 1.874 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733224826 1183351108 /nfs/dbraw/zinc/35/11/08/1183351108.db2.gz DBOZPTALIQYYFS-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733226127 1183351518 /nfs/dbraw/zinc/35/15/18/1183351518.db2.gz PDUNXULTIHNTRG-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001733226127 1183351524 /nfs/dbraw/zinc/35/15/24/1183351524.db2.gz PDUNXULTIHNTRG-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001733226127 1183351527 /nfs/dbraw/zinc/35/15/27/1183351527.db2.gz PDUNXULTIHNTRG-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001733223857 1183352586 /nfs/dbraw/zinc/35/25/86/1183352586.db2.gz PFXTZRZIDLWQMH-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733360455 1183409059 /nfs/dbraw/zinc/40/90/59/1183409059.db2.gz UFWMIAFZXZRHMJ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001733409285 1183424392 /nfs/dbraw/zinc/42/43/92/1183424392.db2.gz BTMJBNMZAQHFLI-WBVHZDCISA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001733726469 1183510426 /nfs/dbraw/zinc/51/04/26/1183510426.db2.gz OYWXRQYQMITEGG-CYBMUJFWSA-N 2 1 265.401 1.143 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001734019329 1183615728 /nfs/dbraw/zinc/61/57/28/1183615728.db2.gz CSWDWDWHOFFPIM-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001734263351 1183707724 /nfs/dbraw/zinc/70/77/24/1183707724.db2.gz OYECBOBJWSBLSE-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001734345776 1183742167 /nfs/dbraw/zinc/74/21/67/1183742167.db2.gz WQMRZANYSKWZPJ-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001734601746 1183841241 /nfs/dbraw/zinc/84/12/41/1183841241.db2.gz YJAVOLWVLNVGMQ-QQFBHYJXSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC1(O)CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000880483706 726234346 /nfs/dbraw/zinc/23/43/46/726234346.db2.gz JNCOOTPWKFOQPO-UHFFFAOYSA-N 2 1 252.402 1.569 10 30 CDEEMP C#CCCCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000878769493 727027705 /nfs/dbraw/zinc/02/77/05/727027705.db2.gz PIXHLBVVPAFFLI-UHFFFAOYSA-N 2 1 264.413 1.977 10 30 CDEEMP CCNC(NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)=[NH+]CC ZINC000303368311 727294658 /nfs/dbraw/zinc/29/46/58/727294658.db2.gz ISYGRFDSWZHMRB-OLZOCXBDSA-N 2 1 254.422 1.682 10 30 CDEEMP Nc1ccc2c(c1)CCC2=[NH+]NCCC[NH+]1CCOCC1 ZINC000834976579 727332079 /nfs/dbraw/zinc/33/20/79/727332079.db2.gz MHUYDJIFGQXMFP-UHFFFAOYSA-N 2 1 288.395 1.231 10 30 CDEEMP C[N@H+]1C[C@@H]2CN(C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740413 728322834 /nfs/dbraw/zinc/32/28/34/728322834.db2.gz SRXOTQOMZWCUBK-ZACQAIPSSA-N 2 1 285.391 1.475 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740413 728322847 /nfs/dbraw/zinc/32/28/47/728322847.db2.gz SRXOTQOMZWCUBK-ZACQAIPSSA-N 2 1 285.391 1.475 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740413 728322851 /nfs/dbraw/zinc/32/28/51/728322851.db2.gz SRXOTQOMZWCUBK-ZACQAIPSSA-N 2 1 285.391 1.475 10 30 CDEEMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386735 728359145 /nfs/dbraw/zinc/35/91/45/728359145.db2.gz RDLWOCOXPABSEJ-KGLIPLIRSA-N 2 1 250.386 1.653 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000876883477 728374959 /nfs/dbraw/zinc/37/49/59/728374959.db2.gz CQYXJYYNZBDJAM-RYUDHWBXSA-N 2 1 273.808 1.255 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000876883477 728374962 /nfs/dbraw/zinc/37/49/62/728374962.db2.gz CQYXJYYNZBDJAM-RYUDHWBXSA-N 2 1 273.808 1.255 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001565827816 1168176397 /nfs/dbraw/zinc/17/63/97/1168176397.db2.gz HHOWPPPNAALNMF-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001565827816 1168176402 /nfs/dbraw/zinc/17/64/02/1168176402.db2.gz HHOWPPPNAALNMF-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001566025172 1168216622 /nfs/dbraw/zinc/21/66/22/1168216622.db2.gz GSLDXWOAJQPHKO-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001566025172 1168216631 /nfs/dbraw/zinc/21/66/31/1168216631.db2.gz GSLDXWOAJQPHKO-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001566025172 1168216638 /nfs/dbraw/zinc/21/66/38/1168216638.db2.gz GSLDXWOAJQPHKO-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001566844857 1168442113 /nfs/dbraw/zinc/44/21/13/1168442113.db2.gz WUAYIOUKPGBKKV-FZKCQIBNSA-N 2 1 291.439 1.816 10 30 CDEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001566929943 1168471413 /nfs/dbraw/zinc/47/14/13/1168471413.db2.gz MNLGRUQIVUEYHV-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001566929943 1168471416 /nfs/dbraw/zinc/47/14/16/1168471416.db2.gz MNLGRUQIVUEYHV-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001566929943 1168471420 /nfs/dbraw/zinc/47/14/20/1168471420.db2.gz MNLGRUQIVUEYHV-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054331 1168536831 /nfs/dbraw/zinc/53/68/31/1168536831.db2.gz PSQVLJJGCPWOIP-CJNGLKHVSA-N 2 1 299.434 1.869 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001272292592 912713294 /nfs/dbraw/zinc/71/32/94/912713294.db2.gz WRCYOSAFTCSENE-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567201778 1168616405 /nfs/dbraw/zinc/61/64/05/1168616405.db2.gz HXRVYSOVCZAJPB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001567201778 1168616407 /nfs/dbraw/zinc/61/64/07/1168616407.db2.gz HXRVYSOVCZAJPB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001567201778 1168616411 /nfs/dbraw/zinc/61/64/11/1168616411.db2.gz HXRVYSOVCZAJPB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567403637 1168738531 /nfs/dbraw/zinc/73/85/31/1168738531.db2.gz PLPWMYYVYDCLKF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567403637 1168738534 /nfs/dbraw/zinc/73/85/34/1168738534.db2.gz PLPWMYYVYDCLKF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567403637 1168738546 /nfs/dbraw/zinc/73/85/46/1168738546.db2.gz PLPWMYYVYDCLKF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001266348292 894488234 /nfs/dbraw/zinc/48/82/34/894488234.db2.gz YVUVCFLYLQZXOW-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001266348292 894488244 /nfs/dbraw/zinc/48/82/44/894488244.db2.gz YVUVCFLYLQZXOW-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001266348292 894488248 /nfs/dbraw/zinc/48/82/48/894488248.db2.gz YVUVCFLYLQZXOW-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266350515 894505291 /nfs/dbraw/zinc/50/52/91/894505291.db2.gz VEXOKCZYDDAKDJ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266350515 894505301 /nfs/dbraw/zinc/50/53/01/894505301.db2.gz VEXOKCZYDDAKDJ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266350515 894505313 /nfs/dbraw/zinc/50/53/13/894505313.db2.gz VEXOKCZYDDAKDJ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001266562184 895373258 /nfs/dbraw/zinc/37/32/58/895373258.db2.gz POPAUSSXSPDNSF-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266743386 895954752 /nfs/dbraw/zinc/95/47/52/895954752.db2.gz GVPOKXGXPOVWQW-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266770421 896014220 /nfs/dbraw/zinc/01/42/20/896014220.db2.gz VWOQEKNWCLQQHI-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266770421 896014232 /nfs/dbraw/zinc/01/42/32/896014232.db2.gz VWOQEKNWCLQQHI-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266770421 896014245 /nfs/dbraw/zinc/01/42/45/896014245.db2.gz VWOQEKNWCLQQHI-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 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30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+](C)CC ZINC001267176862 897015113 /nfs/dbraw/zinc/01/51/13/897015113.db2.gz MXMGJBKBTZIWOR-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001480938927 897809980 /nfs/dbraw/zinc/80/99/80/897809980.db2.gz OOHUWQNCLDUQSR-CQSZACIVSA-N 2 1 269.433 1.587 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267456430 897931348 /nfs/dbraw/zinc/93/13/48/897931348.db2.gz XDOLKLNRMAVRET-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001480983168 898427296 /nfs/dbraw/zinc/42/72/96/898427296.db2.gz RIUUTDOXUVLIIO-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001480983168 898427305 /nfs/dbraw/zinc/42/73/05/898427305.db2.gz RIUUTDOXUVLIIO-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001480983168 898427312 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CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267749493 899568790 /nfs/dbraw/zinc/56/87/90/899568790.db2.gz QWCNJHHESIAQML-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001496352920 899672114 /nfs/dbraw/zinc/67/21/14/899672114.db2.gz WBHCQCDZWNUGKC-UKRRQHHQSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267992719 900212728 /nfs/dbraw/zinc/21/27/28/900212728.db2.gz VMGYGBRJGAXTDN-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001567699345 1168927430 /nfs/dbraw/zinc/92/74/30/1168927430.db2.gz JPSLRJDARYSJSQ-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567699345 1168927440 /nfs/dbraw/zinc/92/74/40/1168927440.db2.gz JPSLRJDARYSJSQ-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001567699345 1168927448 /nfs/dbraw/zinc/92/74/48/1168927448.db2.gz JPSLRJDARYSJSQ-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001481354343 900483254 /nfs/dbraw/zinc/48/32/54/900483254.db2.gz PCEGYFIFTRCFPF-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001268227749 901608223 /nfs/dbraw/zinc/60/82/23/901608223.db2.gz WTFCMVAMXWUXET-CQSZACIVSA-N 2 1 278.400 1.498 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001268236652 901633935 /nfs/dbraw/zinc/63/39/35/901633935.db2.gz LEYNYRGYANRKOS-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001268236652 901633939 /nfs/dbraw/zinc/63/39/39/901633939.db2.gz LEYNYRGYANRKOS-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001481935527 902368761 /nfs/dbraw/zinc/36/87/61/902368761.db2.gz CBCYRFWYTHMYPJ-MRXNPFEDSA-N 2 1 288.395 1.089 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001268734291 903057596 /nfs/dbraw/zinc/05/75/96/903057596.db2.gz TZMBCKGDRCWJHC-JHJVBQTASA-N 2 1 276.384 1.526 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001270516627 904691636 /nfs/dbraw/zinc/69/16/36/904691636.db2.gz GFBVKXFQBOKJMS-CZUORRHYSA-N 2 1 299.434 1.727 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001270624378 904834775 /nfs/dbraw/zinc/83/47/75/904834775.db2.gz PEJBHQVWIJVFFL-ZBFHGGJFSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567977501 1169104264 /nfs/dbraw/zinc/10/42/64/1169104264.db2.gz YIXYNAAPXSDGOE-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001483376636 911010332 /nfs/dbraw/zinc/01/03/32/911010332.db2.gz KBROUFZHXNOHNZ-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001483376636 911010336 /nfs/dbraw/zinc/01/03/36/911010336.db2.gz KBROUFZHXNOHNZ-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001483376636 911010355 /nfs/dbraw/zinc/01/03/55/911010355.db2.gz KBROUFZHXNOHNZ-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484927038 916272018 /nfs/dbraw/zinc/27/20/18/916272018.db2.gz GSTNRELISMOPDL-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001485060039 916460317 /nfs/dbraw/zinc/46/03/17/916460317.db2.gz NBPTVIWMQWJPFP-CVEARBPZSA-N 2 1 293.455 1.519 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001485340978 916856978 /nfs/dbraw/zinc/85/69/78/916856978.db2.gz AJJHWCAHCXRIQQ-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001273523712 920103431 /nfs/dbraw/zinc/10/34/31/920103431.db2.gz CZYFNIVCEYGMML-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001273523712 920103442 /nfs/dbraw/zinc/10/34/42/920103442.db2.gz CZYFNIVCEYGMML-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001273523712 920103446 /nfs/dbraw/zinc/10/34/46/920103446.db2.gz CZYFNIVCEYGMML-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001486118663 920727328 /nfs/dbraw/zinc/72/73/28/920727328.db2.gz HEDSIPFBRATCLO-JSGCOSHPSA-N 2 1 276.384 1.347 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001486127941 920759015 /nfs/dbraw/zinc/75/90/15/920759015.db2.gz HZOXOYOOYGBMGE-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568303604 1169234091 /nfs/dbraw/zinc/23/40/91/1169234091.db2.gz BMXNYOGDHYBVCO-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001486424399 920995040 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C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001276320675 935008620 /nfs/dbraw/zinc/00/86/20/935008620.db2.gz VBCZPELJQLBGSQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001276610745 940430104 /nfs/dbraw/zinc/43/01/04/940430104.db2.gz DEPAEFCHBNUPTC-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001276910242 941690327 /nfs/dbraw/zinc/69/03/27/941690327.db2.gz XPKMNHLRUUMPOF-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001276910242 941690328 /nfs/dbraw/zinc/69/03/28/941690328.db2.gz XPKMNHLRUUMPOF-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001276910242 941690330 /nfs/dbraw/zinc/69/03/30/941690330.db2.gz XPKMNHLRUUMPOF-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001280546382 942460791 /nfs/dbraw/zinc/46/07/91/942460791.db2.gz ZHMDROCAKNVYJU-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001281928081 942631776 /nfs/dbraw/zinc/63/17/76/942631776.db2.gz IXCQPEUHDYMRCU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001281928081 942631779 /nfs/dbraw/zinc/63/17/79/942631779.db2.gz IXCQPEUHDYMRCU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001281928081 942631781 /nfs/dbraw/zinc/63/17/81/942631781.db2.gz IXCQPEUHDYMRCU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001277474764 942744432 /nfs/dbraw/zinc/74/44/32/942744432.db2.gz TYQADTLNVMMNMU-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001283296471 942872529 /nfs/dbraw/zinc/87/25/29/942872529.db2.gz JOBCUHKIQJKZDT-OAHLLOKOSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001283296471 942872534 /nfs/dbraw/zinc/87/25/34/942872534.db2.gz JOBCUHKIQJKZDT-OAHLLOKOSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001283296471 942872535 /nfs/dbraw/zinc/87/25/35/942872535.db2.gz JOBCUHKIQJKZDT-OAHLLOKOSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001316631936 943135409 /nfs/dbraw/zinc/13/54/09/943135409.db2.gz BESNLSWWXKCWRE-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277622604 943156162 /nfs/dbraw/zinc/15/61/62/943156162.db2.gz PSOGAMJZZNDASD-CABCVRRESA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001284653828 943234613 /nfs/dbraw/zinc/23/46/13/943234613.db2.gz VNTICSZSWNKGAG-ZDUSSCGKSA-N 2 1 269.433 1.633 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001277777248 943510676 /nfs/dbraw/zinc/51/06/76/943510676.db2.gz WBCLWMAPRLTIMK-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001263820696 943988480 /nfs/dbraw/zinc/98/84/80/943988480.db2.gz FGHCFPMECYOERF-CQSZACIVSA-N 2 1 265.401 1.191 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264363553 944111551 /nfs/dbraw/zinc/11/15/51/944111551.db2.gz RBRHSVXQIYTYSG-UONOGXRCSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371082 944113699 /nfs/dbraw/zinc/11/36/99/944113699.db2.gz PCRNPOHEYLVEAS-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001265147813 944247972 /nfs/dbraw/zinc/24/79/72/944247972.db2.gz LHPFKAXDCKIZOI-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001265147813 944247978 /nfs/dbraw/zinc/24/79/78/944247978.db2.gz LHPFKAXDCKIZOI-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001265147813 944247983 /nfs/dbraw/zinc/24/79/83/944247983.db2.gz LHPFKAXDCKIZOI-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001265416408 944376817 /nfs/dbraw/zinc/37/68/17/944376817.db2.gz ZISHEVBOLAZUID-HRCADAONSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001265416408 944376824 /nfs/dbraw/zinc/37/68/24/944376824.db2.gz ZISHEVBOLAZUID-HRCADAONSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)C1 ZINC001265416408 944376827 /nfs/dbraw/zinc/37/68/27/944376827.db2.gz ZISHEVBOLAZUID-HRCADAONSA-N 2 1 291.439 1.580 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001265793788 944511521 /nfs/dbraw/zinc/51/15/21/944511521.db2.gz AMLVVKGULZEMFF-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265979657 944610689 /nfs/dbraw/zinc/61/06/89/944610689.db2.gz QELASHDNZFRJII-QLFBSQMISA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265982640 944612904 /nfs/dbraw/zinc/61/29/04/944612904.db2.gz IVNVBAZVYNEAOI-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266042618 944650282 /nfs/dbraw/zinc/65/02/82/944650282.db2.gz JCRQVSDPEPKQPF-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001278908648 948193819 /nfs/dbraw/zinc/19/38/19/948193819.db2.gz VCMPTXHPQHREPR-HZPDHXFCSA-N 2 1 293.455 1.519 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001278908648 948193824 /nfs/dbraw/zinc/19/38/24/948193824.db2.gz VCMPTXHPQHREPR-HZPDHXFCSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278450081 948200000 /nfs/dbraw/zinc/20/00/00/948200000.db2.gz BAFXJEYANWIIMD-IIAWOOMASA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001324620692 953478316 /nfs/dbraw/zinc/47/83/16/953478316.db2.gz TVXSIDVGAHXDIX-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001324620692 953478322 /nfs/dbraw/zinc/47/83/22/953478322.db2.gz TVXSIDVGAHXDIX-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001324620692 953478330 /nfs/dbraw/zinc/47/83/30/953478330.db2.gz TVXSIDVGAHXDIX-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325434307 953901541 /nfs/dbraw/zinc/90/15/41/953901541.db2.gz AGMGUNAZLNLIHF-HUUCEWRRSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001326899940 954607009 /nfs/dbraw/zinc/60/70/09/954607009.db2.gz RADRZPUJDMIDRJ-OAHLLOKOSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491732902 955398813 /nfs/dbraw/zinc/39/88/13/955398813.db2.gz RASWTLXPZYMBML-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCOCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001331038845 956782548 /nfs/dbraw/zinc/78/25/48/956782548.db2.gz LMTSSQUBEWBAOS-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001316870082 957081379 /nfs/dbraw/zinc/08/13/79/957081379.db2.gz MASWKVXBUYYBAY-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001316870082 957081389 /nfs/dbraw/zinc/08/13/89/957081389.db2.gz MASWKVXBUYYBAY-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001316870082 957081398 /nfs/dbraw/zinc/08/13/98/957081398.db2.gz MASWKVXBUYYBAY-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001317034236 957217661 /nfs/dbraw/zinc/21/76/61/957217661.db2.gz LPYCVFMJBRTICO-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317464078 957495190 /nfs/dbraw/zinc/49/51/90/957495190.db2.gz RCHNZZPLLDEZRP-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001317491625 957509828 /nfs/dbraw/zinc/50/98/28/957509828.db2.gz DHIHJNBWUIAOHV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317491625 957509836 /nfs/dbraw/zinc/50/98/36/957509836.db2.gz DHIHJNBWUIAOHV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001317491625 957509847 /nfs/dbraw/zinc/50/98/47/957509847.db2.gz DHIHJNBWUIAOHV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001317540837 957536694 /nfs/dbraw/zinc/53/66/94/957536694.db2.gz MKJFLEDEIPNTFC-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001494666227 972282938 /nfs/dbraw/zinc/28/29/38/972282938.db2.gz DCLOWLJUNYKSTB-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318830502 958277471 /nfs/dbraw/zinc/27/74/71/958277471.db2.gz GYXHWOMPLGEJAG-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001319831418 958742560 /nfs/dbraw/zinc/74/25/60/958742560.db2.gz JQBXTFOQADDCRM-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001569329085 1169768145 /nfs/dbraw/zinc/76/81/45/1169768145.db2.gz FSLDUAQIBGGFNW-JKSUJKDBSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001322442576 960221911 /nfs/dbraw/zinc/22/19/11/960221911.db2.gz MVGIIAZDTOHADK-GFCCVEGCSA-N 2 1 273.808 1.271 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001324100237 961166285 /nfs/dbraw/zinc/16/62/85/961166285.db2.gz WVRUFBKABIJVDT-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001324286072 961287307 /nfs/dbraw/zinc/28/73/07/961287307.db2.gz NSTQUXZNPXDJPD-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)CC[NH2+]C(C)(C)C ZINC001448869655 967287500 /nfs/dbraw/zinc/28/75/00/967287500.db2.gz BHUAALOKXMCLRY-UHFFFAOYSA-N 2 1 269.433 1.731 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480459506 967839073 /nfs/dbraw/zinc/83/90/73/967839073.db2.gz LLLPMRXOVZOTOM-OLZOCXBDSA-N 2 1 287.835 1.706 10 30 CDEEMP CNC(NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)=[NH+]C ZINC000849046041 969433221 /nfs/dbraw/zinc/43/32/21/969433221.db2.gz NGISIQQJFIMKMI-KGLIPLIRSA-N 2 1 260.385 1.127 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646138 1169950311 /nfs/dbraw/zinc/95/03/11/1169950311.db2.gz DUNKPRDOZFCAQW-OAHLLOKOSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650736 1169954150 /nfs/dbraw/zinc/95/41/50/1169954150.db2.gz HBEDEQCZJUGZTP-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497414302 973336036 /nfs/dbraw/zinc/33/60/36/973336036.db2.gz LBJGCFQDLVTTRO-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001498118552 973692664 /nfs/dbraw/zinc/69/26/64/973692664.db2.gz RMSNPFPMQBUDMB-XJKSGUPXSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001498367339 973863230 /nfs/dbraw/zinc/86/32/30/973863230.db2.gz VQEGAAVFSNOFED-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001498367339 973863238 /nfs/dbraw/zinc/86/32/38/973863238.db2.gz VQEGAAVFSNOFED-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001498367339 973863248 /nfs/dbraw/zinc/86/32/48/973863248.db2.gz VQEGAAVFSNOFED-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376727374 974745612 /nfs/dbraw/zinc/74/56/12/974745612.db2.gz BSYBZQQPAIXHHF-QJPTWQEYSA-N 2 1 273.808 1.173 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001377008764 974851289 /nfs/dbraw/zinc/85/12/89/974851289.db2.gz CUFIFKKWISDADE-RYUDHWBXSA-N 2 1 273.808 1.318 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001506027198 975091446 /nfs/dbraw/zinc/09/14/46/975091446.db2.gz HBMSIKHDPGELDB-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001506741398 975215250 /nfs/dbraw/zinc/21/52/50/975215250.db2.gz GIFWZIZLCLHRHS-KGLIPLIRSA-N 2 1 299.434 1.679 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001506853229 975234752 /nfs/dbraw/zinc/23/47/52/975234752.db2.gz TUWJDXWJCDSEPF-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001676667346 1174253047 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CDEEMP C#CCC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614643 1170497160 /nfs/dbraw/zinc/49/71/60/1170497160.db2.gz OKMADCCCDYXYAT-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437768 342906019 /nfs/dbraw/zinc/90/60/19/342906019.db2.gz PFICNWILOPWIGX-QLFBSQMISA-N 2 1 292.427 1.340 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000595958736 343196032 /nfs/dbraw/zinc/19/60/32/343196032.db2.gz GYXAPQNJWJMQJB-KKUMJFAQSA-N 2 1 292.427 1.531 10 30 CDEEMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000602966380 344669432 /nfs/dbraw/zinc/66/94/32/344669432.db2.gz CDGRAJPREPKHTE-CQSZACIVSA-N 2 1 279.428 1.847 10 30 CDEEMP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435770 358623917 /nfs/dbraw/zinc/62/39/17/358623917.db2.gz CUKWHMKEHYEHCF-UONOGXRCSA-N 2 1 280.416 1.196 10 30 CDEEMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594435770 358623920 /nfs/dbraw/zinc/62/39/20/358623920.db2.gz CUKWHMKEHYEHCF-UONOGXRCSA-N 2 1 280.416 1.196 10 30 CDEEMP CNC(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000153557417 361358763 /nfs/dbraw/zinc/35/87/63/361358763.db2.gz RFPJFIMGWYTQFR-OAHLLOKOSA-N 2 1 260.385 1.575 10 30 CDEEMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000528390761 367820151 /nfs/dbraw/zinc/82/01/51/367820151.db2.gz XAANNYPOUSVOEM-HUUCEWRRSA-N 2 1 277.412 1.459 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001662642135 1172573638 /nfs/dbraw/zinc/57/36/38/1172573638.db2.gz ZWYNZWMCWLERMI-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nn1 ZINC000655940607 412954007 /nfs/dbraw/zinc/95/40/07/412954007.db2.gz DHHBAEARSDDXCP-INIZCTEOSA-N 2 1 289.427 1.818 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001664072601 1172807061 /nfs/dbraw/zinc/80/70/61/1172807061.db2.gz DLBGDJXIHKAGJQ-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP 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C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001698855576 1159116621 /nfs/dbraw/zinc/11/66/21/1159116621.db2.gz HDDIAHSYZHJNRB-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262658989 330024937 /nfs/dbraw/zinc/02/49/37/330024937.db2.gz MKSXABSMLCJBHK-CYBMUJFWSA-N 2 1 252.406 1.388 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482331149 1160155241 /nfs/dbraw/zinc/15/52/41/1160155241.db2.gz OCGXZCIINCBVOX-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691670128 1161485607 /nfs/dbraw/zinc/48/56/07/1161485607.db2.gz IGVVLMFFXORJEZ-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691670128 1161485611 /nfs/dbraw/zinc/48/56/11/1161485611.db2.gz IGVVLMFFXORJEZ-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691670128 1161485616 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CC#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001690197959 1175400706 /nfs/dbraw/zinc/40/07/06/1175400706.db2.gz YUVCWHOCTMMKES-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001690197959 1175400710 /nfs/dbraw/zinc/40/07/10/1175400710.db2.gz YUVCWHOCTMMKES-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166909 613741144 /nfs/dbraw/zinc/74/11/44/613741144.db2.gz LOTCAPGKRVDFJO-CQSZACIVSA-N 2 1 291.439 1.485 10 30 CDEEMP C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813566 626101761 /nfs/dbraw/zinc/10/17/61/626101761.db2.gz GYLPODUKOWABGP-CYBMUJFWSA-N 2 1 265.401 1.272 10 30 CDEEMP C=CCNC(=O)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903813566 626101765 /nfs/dbraw/zinc/10/17/65/626101765.db2.gz GYLPODUKOWABGP-CYBMUJFWSA-N 2 1 265.401 1.272 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001566746982 1168035122 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1.391 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC=C)C(C)C ZINC001700712947 1177086665 /nfs/dbraw/zinc/08/66/65/1177086665.db2.gz MZIAZCZJSMLHPG-CVEARBPZSA-N 2 1 291.439 1.391 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC)C1CC1 ZINC001700723503 1177094492 /nfs/dbraw/zinc/09/44/92/1177094492.db2.gz JHZYMJKRNNWAMR-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC)C1CC1 ZINC001700723503 1177094499 /nfs/dbraw/zinc/09/44/99/1177094499.db2.gz JHZYMJKRNNWAMR-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001700888962 1177179899 /nfs/dbraw/zinc/17/98/99/1177179899.db2.gz RUYJZPASHCZLDB-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001700888962 1177179910 /nfs/dbraw/zinc/17/99/10/1177179910.db2.gz RUYJZPASHCZLDB-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001700888962 1177179913 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1.224 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001714713533 1179353040 /nfs/dbraw/zinc/35/30/40/1179353040.db2.gz APCVPDOXXHYBTG-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001715257381 1179598438 /nfs/dbraw/zinc/59/84/38/1179598438.db2.gz OJNJGUQOGKJOSU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001715312346 1179618600 /nfs/dbraw/zinc/61/86/00/1179618600.db2.gz SABFGWIDVMTWDT-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001716174067 1180084054 /nfs/dbraw/zinc/08/40/54/1180084054.db2.gz KKTXRMNXLGNQRR-XJKSGUPXSA-N 2 1 297.418 1.317 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001716223829 1180110493 /nfs/dbraw/zinc/11/04/93/1180110493.db2.gz FSKMWNLJEDNESG-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001716501285 1180256155 /nfs/dbraw/zinc/25/61/55/1180256155.db2.gz CLWXHAKEIRIMJP-AWEZNQCLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001716691310 1180372638 /nfs/dbraw/zinc/37/26/38/1180372638.db2.gz GXXSHLRNMWXTDS-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001716874276 1180449109 /nfs/dbraw/zinc/44/91/09/1180449109.db2.gz KSLQMEIBVYEQGJ-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001716985519 1180491622 /nfs/dbraw/zinc/49/16/22/1180491622.db2.gz BFGYIEJOXQPABP-HIFRSBDPSA-N 2 1 290.411 1.452 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001717092942 1180529416 /nfs/dbraw/zinc/52/94/16/1180529416.db2.gz HIXZOHOUQDDERP-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717126127 1180538518 /nfs/dbraw/zinc/53/85/18/1180538518.db2.gz WGVWYCPRCZDWNJ-JYJNAYRXSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001717186831 1180563895 /nfs/dbraw/zinc/56/38/95/1180563895.db2.gz TZFCIKRVOYCYBW-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001717309850 1180614357 /nfs/dbraw/zinc/61/43/57/1180614357.db2.gz VJAOXAZCYBGBGE-AWEZNQCLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001717757847 1180834063 /nfs/dbraw/zinc/83/40/63/1180834063.db2.gz RIRZIJYMDRSAGH-AWEZNQCLSA-N 2 1 269.433 1.729 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001717843183 1180887844 /nfs/dbraw/zinc/88/78/44/1180887844.db2.gz WHOPXAFJRGGZHG-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001723689649 1181592636 /nfs/dbraw/zinc/59/26/36/1181592636.db2.gz AEKJQFMOTCAZPJ-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001723689649 1181592640 /nfs/dbraw/zinc/59/26/40/1181592640.db2.gz AEKJQFMOTCAZPJ-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001723689649 1181592646 /nfs/dbraw/zinc/59/26/46/1181592646.db2.gz AEKJQFMOTCAZPJ-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725051921 1181834991 /nfs/dbraw/zinc/83/49/91/1181834991.db2.gz DZYIMDSHXUJAFU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001725051921 1181834996 /nfs/dbraw/zinc/83/49/96/1181834996.db2.gz DZYIMDSHXUJAFU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725051921 1181835001 /nfs/dbraw/zinc/83/50/01/1181835001.db2.gz DZYIMDSHXUJAFU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725148251 1181882548 /nfs/dbraw/zinc/88/25/48/1181882548.db2.gz ZLUQHTOAVVVSEX-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001725684955 1182097387 /nfs/dbraw/zinc/09/73/87/1182097387.db2.gz ZAIGGWIWSYHLET-UONOGXRCSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC001725740344 1182118065 /nfs/dbraw/zinc/11/80/65/1182118065.db2.gz PHKBNTGHYCIHMR-YRGRVCCFSA-N 2 1 288.395 1.267 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001731535492 1182439939 /nfs/dbraw/zinc/43/99/39/1182439939.db2.gz GHJAVZFCPHOQHR-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001731729097 1182536678 /nfs/dbraw/zinc/53/66/78/1182536678.db2.gz HKRKHXOTINQQGQ-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001731833593 1182616102 /nfs/dbraw/zinc/61/61/02/1182616102.db2.gz HRZLBPFWJUXKSD-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731961456 1182701631 /nfs/dbraw/zinc/70/16/31/1182701631.db2.gz PLHVFHMWGRXMBK-UONOGXRCSA-N 2 1 299.846 1.804 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001732004700 1182721864 /nfs/dbraw/zinc/72/18/64/1182721864.db2.gz VLPAOURBIHFEAN-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001732187187 1182842036 /nfs/dbraw/zinc/84/20/36/1182842036.db2.gz YJSAWCPMEZTUAI-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001732187187 1182842044 /nfs/dbraw/zinc/84/20/44/1182842044.db2.gz YJSAWCPMEZTUAI-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001732187187 1182842052 /nfs/dbraw/zinc/84/20/52/1182842052.db2.gz YJSAWCPMEZTUAI-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001732550630 1183004030 /nfs/dbraw/zinc/00/40/30/1183004030.db2.gz AMDNVUGHGCUIKR-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001732550630 1183004037 /nfs/dbraw/zinc/00/40/37/1183004037.db2.gz AMDNVUGHGCUIKR-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001732550630 1183004043 /nfs/dbraw/zinc/00/40/43/1183004043.db2.gz AMDNVUGHGCUIKR-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C(C)C ZINC001732558126 1183008812 /nfs/dbraw/zinc/00/88/12/1183008812.db2.gz OFDYRIMMBUQJAB-GJZGRUSLSA-N 2 1 297.418 1.174 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCF)C(C)C ZINC001732558126 1183008815 /nfs/dbraw/zinc/00/88/15/1183008815.db2.gz OFDYRIMMBUQJAB-GJZGRUSLSA-N 2 1 297.418 1.174 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001733106313 1183293080 /nfs/dbraw/zinc/29/30/80/1183293080.db2.gz DNLFJYKPWRYELU-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733248005 1183369011 /nfs/dbraw/zinc/36/90/11/1183369011.db2.gz VFFUJUKGKYZKSU-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](C(C)C)CC1 ZINC001733374209 1183412096 /nfs/dbraw/zinc/41/20/96/1183412096.db2.gz XYSPPQWRIWKFMO-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001733930937 1183572607 /nfs/dbraw/zinc/57/26/07/1183572607.db2.gz ZULNISCQQPOJSI-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001733930937 1183572609 /nfs/dbraw/zinc/57/26/09/1183572609.db2.gz ZULNISCQQPOJSI-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001733930937 1183572613 /nfs/dbraw/zinc/57/26/13/1183572613.db2.gz ZULNISCQQPOJSI-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001733943358 1183578544 /nfs/dbraw/zinc/57/85/44/1183578544.db2.gz JIKGKWSSWBONHW-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001733943358 1183578549 /nfs/dbraw/zinc/57/85/49/1183578549.db2.gz JIKGKWSSWBONHW-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001733943358 1183578552 /nfs/dbraw/zinc/57/85/52/1183578552.db2.gz JIKGKWSSWBONHW-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C(C)C ZINC001734019335 1183615625 /nfs/dbraw/zinc/61/56/25/1183615625.db2.gz DBXQNMAVTCXKPD-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C(C)C ZINC001734019335 1183615628 /nfs/dbraw/zinc/61/56/28/1183615628.db2.gz DBXQNMAVTCXKPD-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000876713597 728543847 /nfs/dbraw/zinc/54/38/47/728543847.db2.gz RMHYSZUOJNVARD-CHWSQXEVSA-N 2 1 287.835 1.837 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000928658725 729054519 /nfs/dbraw/zinc/05/45/19/729054519.db2.gz ZURIDXKBPOXAQA-QLFBSQMISA-N 2 1 291.439 1.462 10 30 CDEEMP C#CC[C@H](CCOC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335127 730044982 /nfs/dbraw/zinc/04/49/82/730044982.db2.gz VXMAXGQFTIBHHW-ZIAGYGMSSA-N 2 1 252.402 1.877 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876958594 1165948293 /nfs/dbraw/zinc/94/82/93/1165948293.db2.gz IDLJLOBSLINPEG-GHMZBOCLSA-N 2 1 273.808 1.445 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001707057171 1167072918 /nfs/dbraw/zinc/07/29/18/1167072918.db2.gz YMRKTGLQIPQLAT-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001707057171 1167072923 /nfs/dbraw/zinc/07/29/23/1167072923.db2.gz YMRKTGLQIPQLAT-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001707057171 1167072929 /nfs/dbraw/zinc/07/29/29/1167072929.db2.gz YMRKTGLQIPQLAT-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1CC ZINC001569342115 1167556749 /nfs/dbraw/zinc/55/67/49/1167556749.db2.gz FRFXKKDQPRRCFG-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001566714261 1168034181 /nfs/dbraw/zinc/03/41/81/1168034181.db2.gz JGNDZOQRKWVAED-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675352 912572113 /nfs/dbraw/zinc/57/21/13/912572113.db2.gz CCALMZCVYNDHLU-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675352 912572120 /nfs/dbraw/zinc/57/21/20/912572120.db2.gz CCALMZCVYNDHLU-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567348002 1168693752 /nfs/dbraw/zinc/69/37/52/1168693752.db2.gz QRJKMHRDJZWEEI-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567348002 1168693756 /nfs/dbraw/zinc/69/37/56/1168693756.db2.gz QRJKMHRDJZWEEI-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439690 894907854 /nfs/dbraw/zinc/90/78/54/894907854.db2.gz UOAUFWLUAZHHMA-UKRRQHHQSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(=C)C ZINC001266947841 896413296 /nfs/dbraw/zinc/41/32/96/896413296.db2.gz BTUGRMBWPMHZFA-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(=C)C ZINC001266947841 896413299 /nfs/dbraw/zinc/41/32/99/896413299.db2.gz BTUGRMBWPMHZFA-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001267323331 897590433 /nfs/dbraw/zinc/59/04/33/897590433.db2.gz XEIIONXOAOYOQA-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001267323331 897590449 /nfs/dbraw/zinc/59/04/49/897590449.db2.gz XEIIONXOAOYOQA-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001267323331 897590456 /nfs/dbraw/zinc/59/04/56/897590456.db2.gz XEIIONXOAOYOQA-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267373092 897750065 /nfs/dbraw/zinc/75/00/65/897750065.db2.gz MPSZPPFQELLZLP-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC=C(C)C ZINC001480981117 898426083 /nfs/dbraw/zinc/42/60/83/898426083.db2.gz XNHOXKYCYDUNPC-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC=C(C)C ZINC001480981117 898426089 /nfs/dbraw/zinc/42/60/89/898426089.db2.gz XNHOXKYCYDUNPC-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC=C(C)C ZINC001480981117 898426094 /nfs/dbraw/zinc/42/60/94/898426094.db2.gz XNHOXKYCYDUNPC-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC=C(C)C ZINC001480981117 898426098 /nfs/dbraw/zinc/42/60/98/898426098.db2.gz XNHOXKYCYDUNPC-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267777386 899699745 /nfs/dbraw/zinc/69/97/45/899699745.db2.gz QOKPICPJGSIITG-KBPBESRZSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267937130 900008881 /nfs/dbraw/zinc/00/88/81/900008881.db2.gz IDLVQBZVJZXOFL-ZIAGYGMSSA-N 2 1 285.407 1.433 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567709444 1168930690 /nfs/dbraw/zinc/93/06/90/1168930690.db2.gz ORJLEMSZXOCIHX-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481696724 901824231 /nfs/dbraw/zinc/82/42/31/901824231.db2.gz QTJWNKRDKAUAMH-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001481769086 902104901 /nfs/dbraw/zinc/10/49/01/902104901.db2.gz OTYJSOMUNRXSBM-LSDHHAIUSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001481769086 902104905 /nfs/dbraw/zinc/10/49/05/902104905.db2.gz OTYJSOMUNRXSBM-LSDHHAIUSA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001268547972 902547276 /nfs/dbraw/zinc/54/72/76/902547276.db2.gz IZRDWGZQXZQPSQ-WSNITJDQSA-N 2 1 299.846 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C ZINC001268742420 903066197 /nfs/dbraw/zinc/06/61/97/903066197.db2.gz HPTDKMVKAMYUKG-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001269180802 903510425 /nfs/dbraw/zinc/51/04/25/903510425.db2.gz FNTRHKFSSOXMCU-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001482246716 904156689 /nfs/dbraw/zinc/15/66/89/904156689.db2.gz QAFSWOBLHIKPRS-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001270421136 904624599 /nfs/dbraw/zinc/62/45/99/904624599.db2.gz AETJUCVVLNMWII-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482493646 906633587 /nfs/dbraw/zinc/63/35/87/906633587.db2.gz LQSBNEGTTGRFSA-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001505625401 908088798 /nfs/dbraw/zinc/08/87/98/908088798.db2.gz JRRZQCNJGYAWIQ-KGLIPLIRSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001272125679 908594338 /nfs/dbraw/zinc/59/43/38/908594338.db2.gz MGXMRABAVCVPGN-UHFFFAOYSA-N 2 1 290.411 1.420 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001272125679 908594354 /nfs/dbraw/zinc/59/43/54/908594354.db2.gz MGXMRABAVCVPGN-UHFFFAOYSA-N 2 1 290.411 1.420 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001273017801 921565469 /nfs/dbraw/zinc/56/54/69/921565469.db2.gz RWQUTDMWRAOSDA-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483392554 911046737 /nfs/dbraw/zinc/04/67/37/911046737.db2.gz ABDLPZFJWHKJIJ-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001568147640 1169148145 /nfs/dbraw/zinc/14/81/45/1169148145.db2.gz LCTDDJMLHLWXLK-HZPDHXFCSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001483914723 915187958 /nfs/dbraw/zinc/18/79/58/915187958.db2.gz ARODHTMVTKVPAQ-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001484414945 915740486 /nfs/dbraw/zinc/74/04/86/915740486.db2.gz HRSFHTDJEQVQIY-GASCZTMLSA-N 2 1 279.428 1.293 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001484414945 915740502 /nfs/dbraw/zinc/74/05/02/915740502.db2.gz HRSFHTDJEQVQIY-GASCZTMLSA-N 2 1 279.428 1.293 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001484414945 915740508 /nfs/dbraw/zinc/74/05/08/915740508.db2.gz HRSFHTDJEQVQIY-GASCZTMLSA-N 2 1 279.428 1.293 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484526087 915855963 /nfs/dbraw/zinc/85/59/63/915855963.db2.gz WEAZUWJCTHKCLD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCC1 ZINC001273100259 921971353 /nfs/dbraw/zinc/97/13/53/921971353.db2.gz SRSNQONWIAIRIW-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC)CCC1 ZINC001273100259 921971368 /nfs/dbraw/zinc/97/13/68/921971368.db2.gz SRSNQONWIAIRIW-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001568366659 1169261506 /nfs/dbraw/zinc/26/15/06/1169261506.db2.gz ACNYMWRNXDYNCG-UKRRQHHQSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001273298044 925759793 /nfs/dbraw/zinc/75/97/93/925759793.db2.gz HFWHLIPPYWITKT-LBPRGKRZSA-N 2 1 273.808 1.271 10 30 CDEEMP 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IRLUWBRYWDCVBX-HUUCEWRRSA-N 2 1 266.433 1.542 10 30 CDEEMP CCCN[C@@](C)(C#N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190750 176068307 /nfs/dbraw/zinc/06/83/07/176068307.db2.gz IRLUWBRYWDCVBX-HUUCEWRRSA-N 2 1 266.433 1.542 10 30 CDEEMP CCCN[C@@](C)(C#N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190750 176068309 /nfs/dbraw/zinc/06/83/09/176068309.db2.gz IRLUWBRYWDCVBX-HUUCEWRRSA-N 2 1 266.433 1.542 10 30 CDEEMP CCCN[C@@](C)(C#N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190750 176068310 /nfs/dbraw/zinc/06/83/10/176068310.db2.gz IRLUWBRYWDCVBX-HUUCEWRRSA-N 2 1 266.433 1.542 10 30 CDEEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000071192981 176074694 /nfs/dbraw/zinc/07/46/94/176074694.db2.gz YTQLIZKFZGZWSW-LBPRGKRZSA-N 2 1 291.420 1.082 10 30 CDEEMP N#C[C@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333616987 228207137 /nfs/dbraw/zinc/20/71/37/228207137.db2.gz SVRXRRDWDRWLDR-AAEUAGOBSA-N 2 1 288.399 1.444 10 30 CDEEMP 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1 291.439 1.321 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001724848577 1181773116 /nfs/dbraw/zinc/77/31/16/1181773116.db2.gz NROBWVKERMFQHF-CABCVRRESA-N 2 1 290.411 1.991 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001725072338 1181845405 /nfs/dbraw/zinc/84/54/05/1181845405.db2.gz IIMVSUKHTJFVHT-SHARSMKWSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001725242508 1181935179 /nfs/dbraw/zinc/93/51/79/1181935179.db2.gz ONKATWGNGPXASK-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001731362973 1182336241 /nfs/dbraw/zinc/33/62/41/1182336241.db2.gz LTBFMADTCDLFGH-OAHLLOKOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001731696217 1182521662 /nfs/dbraw/zinc/52/16/62/1182521662.db2.gz DBBOCSKZFYQKLL-LSDHHAIUSA-N 2 1 288.395 1.232 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732057422 1182742498 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C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001266094697 944676748 /nfs/dbraw/zinc/67/67/48/944676748.db2.gz YMICSEUCOGRYGW-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266116491 944690906 /nfs/dbraw/zinc/69/09/06/944690906.db2.gz KZKYXQQCYZKPCZ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001266116491 944690911 /nfs/dbraw/zinc/69/09/11/944690911.db2.gz KZKYXQQCYZKPCZ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001266116491 944690916 /nfs/dbraw/zinc/69/09/16/944690916.db2.gz KZKYXQQCYZKPCZ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001479301770 971293803 /nfs/dbraw/zinc/29/38/03/971293803.db2.gz BESNLSWWXKCWRE-OWCLPIDISA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001479390638 971317266 /nfs/dbraw/zinc/31/72/66/971317266.db2.gz UYXNESMKXJCMAC-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001278443870 948140148 /nfs/dbraw/zinc/14/01/48/948140148.db2.gz JTFVVGPSIJPWIZ-HNNXBMFYSA-N 2 1 265.401 1.239 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001279045289 948637165 /nfs/dbraw/zinc/63/71/65/948637165.db2.gz KEJGFZMXBRXKIA-UKRRQHHQSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061736 971558643 /nfs/dbraw/zinc/55/86/43/971558643.db2.gz LWTAFROJKNDPJG-HUUCEWRRSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001480208938 971628771 /nfs/dbraw/zinc/62/87/71/971628771.db2.gz KBPDJUGEYRVLOE-QLFBSQMISA-N 2 1 277.412 1.121 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001493083569 971941786 /nfs/dbraw/zinc/94/17/86/971941786.db2.gz JQJJRWIPVHEBAX-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP 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DSCKZQWZHUKLBB-JKSUJKDBSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001493592079 972086011 /nfs/dbraw/zinc/08/60/11/972086011.db2.gz RVTQANULPXGOIC-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491804836 955443761 /nfs/dbraw/zinc/44/37/61/955443761.db2.gz LFVRLKKXGWFQFI-QLFBSQMISA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001491894197 955494537 /nfs/dbraw/zinc/49/45/37/955494537.db2.gz NAFAMSCZQRAVLA-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001328869584 955526866 /nfs/dbraw/zinc/52/68/66/955526866.db2.gz SBWOTYYTVWMDQU-UYSNPLJNSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@H+](CCF)C(C)C ZINC001493860912 972128569 /nfs/dbraw/zinc/12/85/69/972128569.db2.gz XCWRRXVVKGPVHX-HNNXBMFYSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CCF)C(C)C 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10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001329515612 955960467 /nfs/dbraw/zinc/96/04/67/955960467.db2.gz PADBFONJLBBIHJ-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001329515612 955960476 /nfs/dbraw/zinc/96/04/76/955960476.db2.gz PADBFONJLBBIHJ-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001331031074 956772053 /nfs/dbraw/zinc/77/20/53/956772053.db2.gz SOGVRVSMUKFKTK-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001331031074 956772076 /nfs/dbraw/zinc/77/20/76/956772076.db2.gz SOGVRVSMUKFKTK-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001331031074 956772088 /nfs/dbraw/zinc/77/20/88/956772088.db2.gz SOGVRVSMUKFKTK-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331320861 956965841 /nfs/dbraw/zinc/96/58/41/956965841.db2.gz WAIIDYPQBFVRSF-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001316758526 957000605 /nfs/dbraw/zinc/00/06/05/957000605.db2.gz FPBLYYMHWILQNA-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316906441 957111088 /nfs/dbraw/zinc/11/10/88/957111088.db2.gz BKKMSKBQRJZGOT-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316951411 957149562 /nfs/dbraw/zinc/14/95/62/957149562.db2.gz BLJSIIINLWSPJL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316951411 957149569 /nfs/dbraw/zinc/14/95/69/957149569.db2.gz BLJSIIINLWSPJL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316951411 957149573 /nfs/dbraw/zinc/14/95/73/957149573.db2.gz BLJSIIINLWSPJL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317024034 957208508 /nfs/dbraw/zinc/20/85/08/957208508.db2.gz CVGZZQXIFUITNN-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001317435029 957468638 /nfs/dbraw/zinc/46/86/38/957468638.db2.gz PQVRXURAMRMCFS-HNNXBMFYSA-N 2 1 291.439 1.629 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CCCC)CC1 ZINC001317493381 957511435 /nfs/dbraw/zinc/51/14/35/957511435.db2.gz XPEWNYKPAGMROU-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511765 957520125 /nfs/dbraw/zinc/52/01/25/957520125.db2.gz DAWKZHMGQGNCTM-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317861961 957697532 /nfs/dbraw/zinc/69/75/32/957697532.db2.gz FSXKCUYDCQXNLO-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001317861961 957697539 /nfs/dbraw/zinc/69/75/39/957697539.db2.gz FSXKCUYDCQXNLO-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001332837539 957875534 /nfs/dbraw/zinc/87/55/34/957875534.db2.gz LKRZSTMLOSACTC-KGLIPLIRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494790795 972309206 /nfs/dbraw/zinc/30/92/06/972309206.db2.gz FQKDRZGBSYCZGN-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001494790795 972309209 /nfs/dbraw/zinc/30/92/09/972309209.db2.gz FQKDRZGBSYCZGN-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001321057136 959564098 /nfs/dbraw/zinc/56/40/98/959564098.db2.gz NMGLFVWUSQRGMN-LLYBFZRZSA-N 2 1 279.428 1.697 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001321418749 959775643 /nfs/dbraw/zinc/77/56/43/959775643.db2.gz IMAVBWURRKUXRS-KIUWMYQTSA-N 2 1 277.412 1.146 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001322542455 960252763 /nfs/dbraw/zinc/25/27/63/960252763.db2.gz CGCJCYGLOZAXLE-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001323016350 960408119 /nfs/dbraw/zinc/40/81/19/960408119.db2.gz WDSAIVZDOVXIHD-MGPQQGTHSA-N 2 1 286.379 1.021 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001324099003 961162414 /nfs/dbraw/zinc/16/24/14/961162414.db2.gz UUPSADUWNCOZAN-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439781750 963858109 /nfs/dbraw/zinc/85/81/09/963858109.db2.gz CTUGBQPFMUQZSK-CHWSQXEVSA-N 2 1 285.819 1.271 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001455947789 968835752 /nfs/dbraw/zinc/83/57/52/968835752.db2.gz TYHCOMFAMKNAAH-HNNXBMFYSA-N 2 1 291.439 1.321 10 30 CDEEMP CCNC(NC[C@@H]1CCCC[N@H+]1C1CC1)=[NH+]CC ZINC000849023113 969410734 /nfs/dbraw/zinc/41/07/34/969410734.db2.gz MYVNKUSFVWXQHX-ZDUSSCGKSA-N 2 1 252.406 1.578 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496797253 973103328 /nfs/dbraw/zinc/10/33/28/973103328.db2.gz UQAUZCVDHLGZOY-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496797253 973103331 /nfs/dbraw/zinc/10/33/31/973103331.db2.gz UQAUZCVDHLGZOY-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001496797253 973103334 /nfs/dbraw/zinc/10/33/34/973103334.db2.gz UQAUZCVDHLGZOY-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001496797253 973103336 /nfs/dbraw/zinc/10/33/36/973103336.db2.gz UQAUZCVDHLGZOY-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497619747 973436387 /nfs/dbraw/zinc/43/63/87/973436387.db2.gz GOPCMCPMJCILDP-YVACAVLKSA-N 2 1 277.412 1.002 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001498119032 973693341 /nfs/dbraw/zinc/69/33/41/973693341.db2.gz XQXMZGJZDBIEEW-AAEUAGOBSA-N 2 1 276.384 1.034 10 30 CDEEMP C=CCC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001500003314 974351063 /nfs/dbraw/zinc/35/10/63/974351063.db2.gz MTFSIPIWTDYYAB-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001506063132 975104170 /nfs/dbraw/zinc/10/41/70/975104170.db2.gz LITGVVYVIPOVSK-AWEZNQCLSA-N 2 1 289.423 1.984 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001377715040 975118392 /nfs/dbraw/zinc/11/83/92/975118392.db2.gz UGURUXJXHCZFJN-RUXDESIVSA-N 2 1 299.846 1.708 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507029665 975300097 /nfs/dbraw/zinc/30/00/97/975300097.db2.gz XNTRRQRFKNUIJU-GDBMZVCRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001399246282 976395511 /nfs/dbraw/zinc/39/55/11/976395511.db2.gz INECLZLWAIILMJ-STQMWFEESA-N 2 1 285.819 1.271 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001674495699 1173953971 /nfs/dbraw/zinc/95/39/71/1173953971.db2.gz MGIWDKHTUPZPFF-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001674876685 1174019322 /nfs/dbraw/zinc/01/93/22/1174019322.db2.gz HMKYQIPBVJJWGN-UHFFFAOYSA-N 2 1 269.433 1.587 10 30 CDEEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440650 342907162 /nfs/dbraw/zinc/90/71/62/342907162.db2.gz HJQAUYWMZOKEMJ-KBPBESRZSA-N 2 1 280.416 1.198 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600719849 342244684 /nfs/dbraw/zinc/24/46/84/342244684.db2.gz KXNUBEIHLWUXTR-JSGCOSHPSA-N 2 1 263.385 1.115 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600728404 342245435 /nfs/dbraw/zinc/24/54/35/342245435.db2.gz PICLJRFBPUNKAK-HOTGVXAUSA-N 2 1 293.455 1.999 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000595958737 343196162 /nfs/dbraw/zinc/19/61/62/343196162.db2.gz GYXAPQNJWJMQJB-RRFJBIMHSA-N 2 1 292.427 1.531 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CCC[N@H+](C3CC3)CC2)CC1 ZINC000195410264 375998104 /nfs/dbraw/zinc/99/81/04/375998104.db2.gz SRJXIMNINMSTFC-UHFFFAOYSA-N 2 1 289.423 1.028 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001663209244 1172655857 /nfs/dbraw/zinc/65/58/57/1172655857.db2.gz GTVRISXRQGMACM-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001663209244 1172655860 /nfs/dbraw/zinc/65/58/60/1172655860.db2.gz GTVRISXRQGMACM-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001663209244 1172655865 /nfs/dbraw/zinc/65/58/65/1172655865.db2.gz GTVRISXRQGMACM-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001663209244 1172655869 /nfs/dbraw/zinc/65/58/69/1172655869.db2.gz GTVRISXRQGMACM-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C#N)cc1 ZINC000122743242 392019445 /nfs/dbraw/zinc/01/94/45/392019445.db2.gz MDHYJYCQZRILNP-UHFFFAOYSA-N 2 1 286.423 1.628 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663684278 1172746631 /nfs/dbraw/zinc/74/66/31/1172746631.db2.gz VBBYNVRJPTWNQA-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001663684278 1172746636 /nfs/dbraw/zinc/74/66/36/1172746636.db2.gz VBBYNVRJPTWNQA-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001663684278 1172746641 /nfs/dbraw/zinc/74/66/41/1172746641.db2.gz VBBYNVRJPTWNQA-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694944 413326332 /nfs/dbraw/zinc/32/63/32/413326332.db2.gz FAOVEBTXLQPOPD-YQQAZPJKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665642221 1173029931 /nfs/dbraw/zinc/02/99/31/1173029931.db2.gz OSCXMTFUZSZIKD-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001665642221 1173029938 /nfs/dbraw/zinc/02/99/38/1173029938.db2.gz OSCXMTFUZSZIKD-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001665787789 1173060685 /nfs/dbraw/zinc/06/06/85/1173060685.db2.gz JSZJYRSUZIZXEE-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CCO)C[C@H]1CC[NH+](C)C1 ZINC000071190509 176067175 /nfs/dbraw/zinc/06/71/75/176067175.db2.gz UYHDXKZIGIMNGM-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@H+](Cc1sccc1C#CCO)C[C@H]1CC[NH+](C)C1 ZINC000071190509 176067176 /nfs/dbraw/zinc/06/71/76/176067176.db2.gz UYHDXKZIGIMNGM-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1sccc1C#CCO)C[C@H]1CC[N@H+](C)C1 ZINC000071190509 176067178 /nfs/dbraw/zinc/06/71/78/176067178.db2.gz UYHDXKZIGIMNGM-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1sccc1C#CCO)C[C@H]1CC[N@@H+](C)C1 ZINC000071190509 176067179 /nfs/dbraw/zinc/06/71/79/176067179.db2.gz UYHDXKZIGIMNGM-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@@H+](CCCC[C@](C)(N)C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190775 176067946 /nfs/dbraw/zinc/06/79/46/176067946.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 2 1 252.406 1.281 10 30 CDEEMP C[NH+](CCCC[C@](C)(N)C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000071190775 176067947 /nfs/dbraw/zinc/06/79/47/176067947.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 2 1 252.406 1.281 10 30 CDEEMP C[NH+](CCCC[C@](C)(N)C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190775 176067948 /nfs/dbraw/zinc/06/79/48/176067948.db2.gz KHLNFPLHYQRKEZ-KBPBESRZSA-N 2 1 252.406 1.281 10 30 CDEEMP C=CCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415114025 263274157 /nfs/dbraw/zinc/27/41/57/263274157.db2.gz SKFLNYHBCKWUSK-INIZCTEOSA-N 2 1 276.380 1.801 10 30 CDEEMP C=CCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415114025 263274159 /nfs/dbraw/zinc/27/41/59/263274159.db2.gz SKFLNYHBCKWUSK-INIZCTEOSA-N 2 1 276.380 1.801 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000662679664 424301025 /nfs/dbraw/zinc/30/10/25/424301025.db2.gz ATIZIHDANCNQBD-HOCLYGCPSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000662710340 424356751 /nfs/dbraw/zinc/35/67/51/424356751.db2.gz GYSMGCLIEHGKHD-AWEZNQCLSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001667664294 1173306674 /nfs/dbraw/zinc/30/66/74/1173306674.db2.gz NIEQPDPJTHSVDE-UHFFFAOYSA-N 2 1 267.417 1.439 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001668178981 1173378734 /nfs/dbraw/zinc/37/87/34/1173378734.db2.gz PXKJEQFBWYMDJW-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531405 1173781934 /nfs/dbraw/zinc/78/19/34/1173781934.db2.gz UQWSKVOLXQADNL-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000328062097 330305145 /nfs/dbraw/zinc/30/51/45/330305145.db2.gz BQWZVDNLDRKBHU-MJBXVCDLSA-N 2 1 250.386 1.345 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000328062097 330305146 /nfs/dbraw/zinc/30/51/46/330305146.db2.gz BQWZVDNLDRKBHU-MJBXVCDLSA-N 2 1 250.386 1.345 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268392511 1159923914 /nfs/dbraw/zinc/92/39/14/1159923914.db2.gz GTLBQEGOJVMVRS-IHRRRGAJSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001279156260 1160768729 /nfs/dbraw/zinc/76/87/29/1160768729.db2.gz NOQPCHVFUJANSB-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001707417036 1178031693 /nfs/dbraw/zinc/03/16/93/1178031693.db2.gz DDDFYVKJJKCYNU-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001707417036 1178031704 /nfs/dbraw/zinc/03/17/04/1178031704.db2.gz DDDFYVKJJKCYNU-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001707417036 1178031716 /nfs/dbraw/zinc/03/17/16/1178031716.db2.gz DDDFYVKJJKCYNU-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001707417036 1178031725 /nfs/dbraw/zinc/03/17/25/1178031725.db2.gz DDDFYVKJJKCYNU-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001713737457 1178730624 /nfs/dbraw/zinc/73/06/24/1178730624.db2.gz GMWFWFIJWHHPNR-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001713737457 1178730626 /nfs/dbraw/zinc/73/06/26/1178730626.db2.gz GMWFWFIJWHHPNR-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001713737457 1178730629 /nfs/dbraw/zinc/73/06/29/1178730629.db2.gz GMWFWFIJWHHPNR-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 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CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218425 613018407 /nfs/dbraw/zinc/01/84/07/613018407.db2.gz XMMOHERNOUZBQS-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218425 613018409 /nfs/dbraw/zinc/01/84/09/613018409.db2.gz XMMOHERNOUZBQS-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214909 613335025 /nfs/dbraw/zinc/33/50/25/613335025.db2.gz GLMMSPJVYVBTFF-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902782492 625374324 /nfs/dbraw/zinc/37/43/24/625374324.db2.gz IEBYMVYIXYUTPQ-NSHDSACASA-N 2 1 255.325 1.809 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@@]1(C)CCCCO1 ZINC000902795117 625413100 /nfs/dbraw/zinc/41/31/00/625413100.db2.gz AIPSMKGXIPREJO-HRCADAONSA-N 2 1 284.444 1.793 10 30 CDEEMP C=CC(C)(C)[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000898456771 621746500 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CDEEMP C=C(C)C[NH+]1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921702337 633213009 /nfs/dbraw/zinc/21/30/09/633213009.db2.gz JJLFKIGIFSQQGH-UHFFFAOYSA-N 2 1 261.369 1.917 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001691020447 1158535713 /nfs/dbraw/zinc/53/57/13/1158535713.db2.gz TYLDNBBXMCEQSS-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670687091 1158691480 /nfs/dbraw/zinc/69/14/80/1158691480.db2.gz OVNLDMNTEBRDFF-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001724858486 1158836955 /nfs/dbraw/zinc/83/69/55/1158836955.db2.gz UXFJOCNFODNAIK-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001691083637 1158898100 /nfs/dbraw/zinc/89/81/00/1158898100.db2.gz YJVLYMYXDFDDFI-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001266741280 1158796879 /nfs/dbraw/zinc/79/68/79/1158796879.db2.gz PJXKAGVMEUVPIL-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268068005 1159774373 /nfs/dbraw/zinc/77/43/73/1159774373.db2.gz IFIBOZSPWGMMBK-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCc2cnc[nH]2)C1 ZINC001481728244 1159913598 /nfs/dbraw/zinc/91/35/98/1159913598.db2.gz WLPYZIUXSTUCFX-CYBMUJFWSA-N 2 1 262.357 1.061 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001618273108 1165627384 /nfs/dbraw/zinc/62/73/84/1165627384.db2.gz HONOFPJJFILVQA-QWHCGFSZSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001571628729 1170502292 /nfs/dbraw/zinc/50/22/92/1170502292.db2.gz VLHKFMXOZVIVEW-AWEZNQCLSA-N 2 1 292.427 1.888 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001664760502 1172904173 /nfs/dbraw/zinc/90/41/73/1172904173.db2.gz UHTCFDCLDBIIFU-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001664760502 1172904181 /nfs/dbraw/zinc/90/41/81/1172904181.db2.gz UHTCFDCLDBIIFU-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001664760502 1172904182 /nfs/dbraw/zinc/90/41/82/1172904182.db2.gz UHTCFDCLDBIIFU-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001665362514 1172986087 /nfs/dbraw/zinc/98/60/87/1172986087.db2.gz CIGRFSAKAKEACO-UHFFFAOYSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001689336646 1175148893 /nfs/dbraw/zinc/14/88/93/1175148893.db2.gz WMUOIUAHBHNBGA-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001690389206 1175457393 /nfs/dbraw/zinc/45/73/93/1175457393.db2.gz ZMRXYHXHQAIMBC-HZPDHXFCSA-N 2 1 293.455 1.424 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001692338026 1175740830 /nfs/dbraw/zinc/74/08/30/1175740830.db2.gz RNRFCLAKIGPHAR-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001692368103 1175752965 /nfs/dbraw/zinc/75/29/65/1175752965.db2.gz HUKDGFVWFZSTHA-PMPSAXMXSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1C ZINC001692368103 1175752973 /nfs/dbraw/zinc/75/29/73/1175752973.db2.gz HUKDGFVWFZSTHA-PMPSAXMXSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001692368103 1175752980 /nfs/dbraw/zinc/75/29/80/1175752980.db2.gz HUKDGFVWFZSTHA-PMPSAXMXSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001698609436 1175870931 /nfs/dbraw/zinc/87/09/31/1175870931.db2.gz FALIJSNFNIWKFJ-KKUMJFAQSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001698878602 1175976410 /nfs/dbraw/zinc/97/64/10/1175976410.db2.gz LIIYTAQOZLCDRJ-CVEARBPZSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001698894973 1175980447 /nfs/dbraw/zinc/98/04/47/1175980447.db2.gz XGOVTOMBAPSVIK-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001699461317 1176423146 /nfs/dbraw/zinc/42/31/46/1176423146.db2.gz RSVLBQSLHIXJTJ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699461317 1176423153 /nfs/dbraw/zinc/42/31/53/1176423153.db2.gz RSVLBQSLHIXJTJ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699461317 1176423166 /nfs/dbraw/zinc/42/31/66/1176423166.db2.gz RSVLBQSLHIXJTJ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699508238 1176454936 /nfs/dbraw/zinc/45/49/36/1176454936.db2.gz ONVUHOBWIGWFTB-GOEBONIOSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001699598373 1176494150 /nfs/dbraw/zinc/49/41/50/1176494150.db2.gz RACOVYRSFHZMIQ-HNNXBMFYSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001699675414 1176565259 /nfs/dbraw/zinc/56/52/59/1176565259.db2.gz INIXJQSNTIUNLY-HNNXBMFYSA-N 2 1 285.391 1.161 10 30 CDEEMP C=CCOCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001699823550 1176641861 /nfs/dbraw/zinc/64/18/61/1176641861.db2.gz HCBSGUSDEHGQEO-INIZCTEOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001699823550 1176641850 /nfs/dbraw/zinc/64/18/50/1176641850.db2.gz HCBSGUSDEHGQEO-INIZCTEOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001699823550 1176641857 /nfs/dbraw/zinc/64/18/57/1176641857.db2.gz HCBSGUSDEHGQEO-INIZCTEOSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001700016768 1176718321 /nfs/dbraw/zinc/71/83/21/1176718321.db2.gz KWEPRPPGOHPTAI-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 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DXYVDBCEQKZINA-ZDUSSCGKSA-N 2 1 278.400 1.555 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001640019666 1166985568 /nfs/dbraw/zinc/98/55/68/1166985568.db2.gz DXYVDBCEQKZINA-ZDUSSCGKSA-N 2 1 278.400 1.555 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001644762200 1167347163 /nfs/dbraw/zinc/34/71/63/1167347163.db2.gz VNUUODLUTOKYQJ-CABCVRRESA-N 2 1 298.427 1.537 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC001644762200 1167347167 /nfs/dbraw/zinc/34/71/67/1167347167.db2.gz VNUUODLUTOKYQJ-CABCVRRESA-N 2 1 298.427 1.537 10 30 CDEEMP C#CCC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001571048635 1167588448 /nfs/dbraw/zinc/58/84/48/1167588448.db2.gz HJNWECCBDRTWOP-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001571048635 1167588454 /nfs/dbraw/zinc/58/84/54/1167588454.db2.gz HJNWECCBDRTWOP-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001571048635 1167588460 /nfs/dbraw/zinc/58/84/60/1167588460.db2.gz HJNWECCBDRTWOP-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826380 1168434639 /nfs/dbraw/zinc/43/46/39/1168434639.db2.gz GZCHBGSQARQMJV-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566897053 1168460513 /nfs/dbraw/zinc/46/05/13/1168460513.db2.gz PTGGMWJPOXFAEW-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567201777 1168616223 /nfs/dbraw/zinc/61/62/23/1168616223.db2.gz HXRVYSOVCZAJPB-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001567201777 1168616230 /nfs/dbraw/zinc/61/62/30/1168616230.db2.gz HXRVYSOVCZAJPB-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001567201777 1168616234 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C#CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481043932 898676521 /nfs/dbraw/zinc/67/65/21/898676521.db2.gz HAHLFQRMCBABMN-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001481043932 898676525 /nfs/dbraw/zinc/67/65/25/898676525.db2.gz HAHLFQRMCBABMN-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001481043932 898676529 /nfs/dbraw/zinc/67/65/29/898676529.db2.gz HAHLFQRMCBABMN-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001267864625 899902207 /nfs/dbraw/zinc/90/22/07/899902207.db2.gz HQDSANQKGGUHAS-MRXNPFEDSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267936858 900011542 /nfs/dbraw/zinc/01/15/42/900011542.db2.gz COTZCTYIRWRAIG-HUUCEWRRSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268003943 900256773 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C#CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481436971 900662068 /nfs/dbraw/zinc/66/20/68/900662068.db2.gz BPLKSDQILKMMQZ-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268079414 901121598 /nfs/dbraw/zinc/12/15/98/901121598.db2.gz BNLSJLREAFGTAV-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268160886 901453271 /nfs/dbraw/zinc/45/32/71/901453271.db2.gz BTTPCUOBBRGGNK-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001268217892 901589223 /nfs/dbraw/zinc/58/92/23/901589223.db2.gz DUKHYUMBDYSWOR-HRCADAONSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253065 901674143 /nfs/dbraw/zinc/67/41/43/901674143.db2.gz JXTQFCCIQBLQQS-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253065 901674149 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C#CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270222549 904455403 /nfs/dbraw/zinc/45/54/03/904455403.db2.gz ZJHBMCITGUQYOY-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC=C)CC1 ZINC001270358514 904561887 /nfs/dbraw/zinc/56/18/87/904561887.db2.gz KAWXSFFBWJYMBR-UHFFFAOYSA-N 2 1 291.439 1.440 10 30 CDEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001270696894 904956479 /nfs/dbraw/zinc/95/64/79/904956479.db2.gz CWHROHRJLHLABE-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001271007029 905543473 /nfs/dbraw/zinc/54/34/73/905543473.db2.gz HGOWUFWFXGCAPD-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271007029 905543477 /nfs/dbraw/zinc/54/34/77/905543477.db2.gz HGOWUFWFXGCAPD-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001271007029 905543491 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C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001483376648 911007698 /nfs/dbraw/zinc/00/76/98/911007698.db2.gz KBROUFZHXNOHNZ-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001483888563 915179381 /nfs/dbraw/zinc/17/93/81/915179381.db2.gz CKCSIRDMJPNVMU-HNNXBMFYSA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001484662775 916011615 /nfs/dbraw/zinc/01/16/15/916011615.db2.gz UOIRSDQVWXAMMS-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001485060040 916458222 /nfs/dbraw/zinc/45/82/22/916458222.db2.gz NBPTVIWMQWJPFP-HOTGVXAUSA-N 2 1 293.455 1.519 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001485837556 920086713 /nfs/dbraw/zinc/08/67/13/920086713.db2.gz PVKWDCXFXIZODK-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001139869558 936654800 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C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491082364 936854168 /nfs/dbraw/zinc/85/41/68/936854168.db2.gz FXYIVLTYXNMLTQ-OWCLPIDISA-N 2 1 285.391 1.159 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491124742 936861499 /nfs/dbraw/zinc/86/14/99/936861499.db2.gz BGBKHEAWGHZRTH-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001491353557 936897867 /nfs/dbraw/zinc/89/78/67/936897867.db2.gz CPUUDKDIVGDVIK-UHFFFAOYSA-N 2 1 288.395 1.232 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001489333853 926872375 /nfs/dbraw/zinc/87/23/75/926872375.db2.gz XHCPWKLSOBGETR-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489333853 926872383 /nfs/dbraw/zinc/87/23/83/926872383.db2.gz XHCPWKLSOBGETR-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001489333853 926872397 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CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001274460498 931501759 /nfs/dbraw/zinc/50/17/59/931501759.db2.gz VWXJLHCLISWJFX-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275649780 931927925 /nfs/dbraw/zinc/92/79/25/931927925.db2.gz YCWADSBMQLEUMI-TZMCWYRMSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275649780 931927929 /nfs/dbraw/zinc/92/79/29/931927929.db2.gz YCWADSBMQLEUMI-TZMCWYRMSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCOCC[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001473791804 970850656 /nfs/dbraw/zinc/85/06/56/970850656.db2.gz BAXCBWFFRVXOFN-UHFFFAOYSA-N 2 1 268.401 1.422 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001279575023 942395320 /nfs/dbraw/zinc/39/53/20/942395320.db2.gz XZVXYSBJULZLRS-OAHLLOKOSA-N 2 1 295.402 1.048 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001281939420 942633739 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CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001277736175 943438157 /nfs/dbraw/zinc/43/81/57/943438157.db2.gz XMTWWVNIFBLJPI-OAHLLOKOSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264115591 944081863 /nfs/dbraw/zinc/08/18/63/944081863.db2.gz ZJECDJKCBXYLDF-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001264626930 944156093 /nfs/dbraw/zinc/15/60/93/944156093.db2.gz BUAZPLHGHDWAOA-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001264626930 944156099 /nfs/dbraw/zinc/15/60/99/944156099.db2.gz BUAZPLHGHDWAOA-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001264626930 944156107 /nfs/dbraw/zinc/15/61/07/944156107.db2.gz BUAZPLHGHDWAOA-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1CC1 ZINC001265174760 944259233 /nfs/dbraw/zinc/25/92/33/944259233.db2.gz JDEZJTVQCBSKRF-MRXNPFEDSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001265491740 944407331 /nfs/dbraw/zinc/40/73/31/944407331.db2.gz BIAODSHBIHDMPO-VGWMRTNUSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265687510 944469863 /nfs/dbraw/zinc/46/98/63/944469863.db2.gz BDFZESCPMAKAMV-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001479326860 971299210 /nfs/dbraw/zinc/29/92/10/971299210.db2.gz DMLXICOOCFNRPZ-OKILXGFUSA-N 2 1 290.411 1.677 10 30 CDEEMP C=CCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001479895677 971473782 /nfs/dbraw/zinc/47/37/82/971473782.db2.gz NZDCZWJWMDLOIJ-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001480320819 971670759 /nfs/dbraw/zinc/67/07/59/971670759.db2.gz ASSPJOXBSRAGBR-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001480320819 971670763 /nfs/dbraw/zinc/67/07/63/971670763.db2.gz ASSPJOXBSRAGBR-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001569121472 1169669492 /nfs/dbraw/zinc/66/94/92/1169669492.db2.gz IVRJHINTLQBKNE-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001569121472 1169669496 /nfs/dbraw/zinc/66/94/96/1169669496.db2.gz IVRJHINTLQBKNE-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001569121472 1169669500 /nfs/dbraw/zinc/66/95/00/1169669500.db2.gz IVRJHINTLQBKNE-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001480679603 971835500 /nfs/dbraw/zinc/83/55/00/971835500.db2.gz PLFYYIYTRKZQQB-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001480785425 971877845 /nfs/dbraw/zinc/87/78/45/971877845.db2.gz DBDXCJONBDFHBS-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001325597783 953979594 /nfs/dbraw/zinc/97/95/94/953979594.db2.gz GDMJDZJTSCFKBI-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001325919190 954141346 /nfs/dbraw/zinc/14/13/46/954141346.db2.gz HMFDUXYUUPHUFI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328103882 955191902 /nfs/dbraw/zinc/19/19/02/955191902.db2.gz XOSYIIUOMVLWOC-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001328258292 955243749 /nfs/dbraw/zinc/24/37/49/955243749.db2.gz OKYAJYGRGPGVDD-CABCVRRESA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001328258292 955243755 /nfs/dbraw/zinc/24/37/55/955243755.db2.gz OKYAJYGRGPGVDD-CABCVRRESA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001328258292 955243762 /nfs/dbraw/zinc/24/37/62/955243762.db2.gz OKYAJYGRGPGVDD-CABCVRRESA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001328939796 955566891 /nfs/dbraw/zinc/56/68/91/955566891.db2.gz AFXZJQOJRQXVPL-FHERZECASA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001329278898 955794636 /nfs/dbraw/zinc/79/46/36/955794636.db2.gz SFFLWYHYPIPBRP-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329441492 955916083 /nfs/dbraw/zinc/91/60/83/955916083.db2.gz NGLLJPGLSFXHPK-GDBMZVCRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001494029533 972164649 /nfs/dbraw/zinc/16/46/49/972164649.db2.gz PKOWFYLNWUNSIC-OAHLLOKOSA-N 2 1 291.439 1.629 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001569233215 1169730183 /nfs/dbraw/zinc/73/01/83/1169730183.db2.gz FQGNZTAKNSJOGR-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360684 956395985 /nfs/dbraw/zinc/39/59/85/956395985.db2.gz RVBAXJDCLFRMSK-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360684 956395993 /nfs/dbraw/zinc/39/59/93/956395993.db2.gz RVBAXJDCLFRMSK-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360684 956396006 /nfs/dbraw/zinc/39/60/06/956396006.db2.gz RVBAXJDCLFRMSK-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001480727144 956646656 /nfs/dbraw/zinc/64/66/56/956646656.db2.gz QMANETAAXXJDHN-CABCVRRESA-N 2 1 299.434 1.775 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001316910657 956879819 /nfs/dbraw/zinc/87/98/19/956879819.db2.gz FMJASXNKNJPDLC-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001316910657 956879832 /nfs/dbraw/zinc/87/98/32/956879832.db2.gz FMJASXNKNJPDLC-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001316910657 956879844 /nfs/dbraw/zinc/87/98/44/956879844.db2.gz FMJASXNKNJPDLC-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001317011975 956926463 /nfs/dbraw/zinc/92/64/63/956926463.db2.gz FSSOKVGEQPLEHI-JKSUJKDBSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001316802717 956934104 /nfs/dbraw/zinc/93/41/04/956934104.db2.gz PRSOKCSVXTYSPS-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316802717 956934117 /nfs/dbraw/zinc/93/41/17/956934117.db2.gz PRSOKCSVXTYSPS-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001316802717 956934130 /nfs/dbraw/zinc/93/41/30/956934130.db2.gz PRSOKCSVXTYSPS-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(Cl)CN(C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001316835721 957058464 /nfs/dbraw/zinc/05/84/64/957058464.db2.gz RCOQOYZGZRKIQA-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001316835721 957058489 /nfs/dbraw/zinc/05/84/89/957058489.db2.gz RCOQOYZGZRKIQA-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001316835721 957058502 /nfs/dbraw/zinc/05/85/02/957058502.db2.gz RCOQOYZGZRKIQA-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001316835721 957058515 /nfs/dbraw/zinc/05/85/15/957058515.db2.gz RCOQOYZGZRKIQA-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001316915636 957123528 /nfs/dbraw/zinc/12/35/28/957123528.db2.gz VZMNLYZUUGSIKY-MRXNPFEDSA-N 2 1 291.439 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317166348 957315734 /nfs/dbraw/zinc/31/57/34/957315734.db2.gz XRGZOMHBOGZZKY-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001494593317 972264501 /nfs/dbraw/zinc/26/45/01/972264501.db2.gz KIXRNMUUNQBDSE-UHFFFAOYSA-N 2 1 295.471 1.979 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001317403880 957456258 /nfs/dbraw/zinc/45/62/58/957456258.db2.gz HKCMQEVWEQBPGG-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317449999 957483079 /nfs/dbraw/zinc/48/30/79/957483079.db2.gz NWOHRKCOQMNDGV-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317449999 957483084 /nfs/dbraw/zinc/48/30/84/957483084.db2.gz NWOHRKCOQMNDGV-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317449999 957483089 /nfs/dbraw/zinc/48/30/89/957483089.db2.gz NWOHRKCOQMNDGV-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001317449999 957483093 /nfs/dbraw/zinc/48/30/93/957483093.db2.gz NWOHRKCOQMNDGV-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317769834 957657926 /nfs/dbraw/zinc/65/79/26/957657926.db2.gz LMLNRINOKLALIY-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317769834 957657935 /nfs/dbraw/zinc/65/79/35/957657935.db2.gz LMLNRINOKLALIY-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317769834 957657938 /nfs/dbraw/zinc/65/79/38/957657938.db2.gz LMLNRINOKLALIY-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001318606616 958196921 /nfs/dbraw/zinc/19/69/21/958196921.db2.gz MEZUYVGOMMKQMT-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001318654776 958216133 /nfs/dbraw/zinc/21/61/33/958216133.db2.gz REYDYKMZYRIYAD-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001318698714 958236075 /nfs/dbraw/zinc/23/60/75/958236075.db2.gz OTOJOGWMHQMPOZ-KRWDZBQOSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320068657 958917037 /nfs/dbraw/zinc/91/70/37/958917037.db2.gz LCYFQIXTEMBXQA-CABCVRRESA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001321113612 959600996 /nfs/dbraw/zinc/60/09/96/959600996.db2.gz ZMLUURRAKRLJPM-OKQSBHACSA-N 2 1 289.423 1.289 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001371359811 972487559 /nfs/dbraw/zinc/48/75/59/972487559.db2.gz AXEHNJGLEQBZGV-ZYHUDNBSSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001419622813 961878902 /nfs/dbraw/zinc/87/89/02/961878902.db2.gz DZJDNEPPAIPGQN-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001441376743 964484498 /nfs/dbraw/zinc/48/44/98/964484498.db2.gz DUZHLLHPYSUUSI-IHRRRGAJSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)CC[NH+](C)C ZINC001556467076 965046354 /nfs/dbraw/zinc/04/63/54/965046354.db2.gz YOACAKKWBJIMMV-AWEZNQCLSA-N 2 1 269.433 1.541 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479334 1169892225 /nfs/dbraw/zinc/89/22/25/1169892225.db2.gz UNHYJCXFEOVJFE-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001569650735 1169952999 /nfs/dbraw/zinc/95/29/99/1169952999.db2.gz HBEDEQCZJUGZTP-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001496642281 973005703 /nfs/dbraw/zinc/00/57/03/973005703.db2.gz NLABPKCWYHMRNC-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001499943973 974341888 /nfs/dbraw/zinc/34/18/88/974341888.db2.gz JHUQBCHYXGDPLD-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001501149678 974541840 /nfs/dbraw/zinc/54/18/40/974541840.db2.gz FSCHHKVHWXGFEK-GJZGRUSLSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001501644056 974616559 /nfs/dbraw/zinc/61/65/59/974616559.db2.gz JUQVAIHALCAQGA-RDJZCZTQSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001502135826 974704527 /nfs/dbraw/zinc/70/45/27/974704527.db2.gz RWZDZDOBTXDWMQ-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001505525395 974900351 /nfs/dbraw/zinc/90/03/51/974900351.db2.gz ZADWHMBMMGQXOW-UHFFFAOYSA-N 2 1 290.411 1.642 10 30 CDEEMP CC#CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001506752283 975215775 /nfs/dbraw/zinc/21/57/75/975215775.db2.gz YEXDWXIMBNDLNA-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506752283 975215780 /nfs/dbraw/zinc/21/57/80/975215780.db2.gz YEXDWXIMBNDLNA-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506752283 975215786 /nfs/dbraw/zinc/21/57/86/975215786.db2.gz YEXDWXIMBNDLNA-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001506867546 975237080 /nfs/dbraw/zinc/23/70/80/975237080.db2.gz XVTLQAWVEMEWOK-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001508029707 975581121 /nfs/dbraw/zinc/58/11/21/975581121.db2.gz RLLNDHXENLWXJD-AWEZNQCLSA-N 2 1 290.411 1.335 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001399246239 976396418 /nfs/dbraw/zinc/39/64/18/976396418.db2.gz INECLZLWAIILMJ-OLZOCXBDSA-N 2 1 285.819 1.271 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001676946264 1174299011 /nfs/dbraw/zinc/29/90/11/1174299011.db2.gz WAZVVWWZWGKXLW-UONOGXRCSA-N 2 1 276.384 1.252 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)CCc2c[nH]cn2)CC1 ZINC001677571073 1174374248 /nfs/dbraw/zinc/37/42/48/1174374248.db2.gz YFZCFNBNEKCUHG-UHFFFAOYSA-N 2 1 286.379 1.114 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001570201278 1170111255 /nfs/dbraw/zinc/11/12/55/1170111255.db2.gz WSXUNGWCQJWTPL-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570201278 1170111256 /nfs/dbraw/zinc/11/12/56/1170111256.db2.gz WSXUNGWCQJWTPL-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570201278 1170111259 /nfs/dbraw/zinc/11/12/59/1170111259.db2.gz WSXUNGWCQJWTPL-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001571610042 1170494050 /nfs/dbraw/zinc/49/40/50/1170494050.db2.gz CRCUFGBXNSBFBC-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001571610042 1170494056 /nfs/dbraw/zinc/49/40/56/1170494056.db2.gz CRCUFGBXNSBFBC-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001571610042 1170494060 /nfs/dbraw/zinc/49/40/60/1170494060.db2.gz CRCUFGBXNSBFBC-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001571650241 1170509333 /nfs/dbraw/zinc/50/93/33/1170509333.db2.gz KNCBTZRKNJZQAR-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C[NH+](C)CCN1CC[N@H+](CC(C)(C)CCC#N)CC1=O ZINC000593655482 342819544 /nfs/dbraw/zinc/81/95/44/342819544.db2.gz NXDMOZGFSCNNRN-UHFFFAOYSA-N 2 1 280.416 1.022 10 30 CDEEMP C[NH+](C)CCN1CC[N@@H+](CC(C)(C)CCC#N)CC1=O ZINC000593655482 342819545 /nfs/dbraw/zinc/81/95/45/342819545.db2.gz NXDMOZGFSCNNRN-UHFFFAOYSA-N 2 1 280.416 1.022 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000595907760 343188908 /nfs/dbraw/zinc/18/89/08/343188908.db2.gz XRBHETHVVHWUEP-CQSZACIVSA-N 2 1 253.390 1.723 10 30 CDEEMP Cc1cc(C#N)nc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000596360622 343310755 /nfs/dbraw/zinc/31/07/55/343310755.db2.gz NHVVXDTVULTTCJ-ZDUSSCGKSA-N 2 1 290.415 1.341 10 30 CDEEMP Cc1cc(C#N)nc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596360622 343310757 /nfs/dbraw/zinc/31/07/57/343310757.db2.gz NHVVXDTVULTTCJ-ZDUSSCGKSA-N 2 1 290.415 1.341 10 30 CDEEMP C[N@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657075 351314388 /nfs/dbraw/zinc/31/43/88/351314388.db2.gz ZYYSZONAQOFUFK-KBPBESRZSA-N 2 1 271.368 1.821 10 30 CDEEMP C[N@@H+](C[C@H](C#N)CCC#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657075 351314401 /nfs/dbraw/zinc/31/44/01/351314401.db2.gz ZYYSZONAQOFUFK-KBPBESRZSA-N 2 1 271.368 1.821 10 30 CDEEMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001661072646 1172331064 /nfs/dbraw/zinc/33/10/64/1172331064.db2.gz BJLSKSYPCYPKPJ-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C[C@@H]1C[N@@H+](CCCNCc2nc(C#N)cs2)CCCO1 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C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001699207417 1176140562 /nfs/dbraw/zinc/14/05/62/1176140562.db2.gz KONYQDHFCVOSOV-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001699724540 1176589488 /nfs/dbraw/zinc/58/94/88/1176589488.db2.gz MQFWZFLNWFZKGH-ZIAGYGMSSA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001699742800 1176600723 /nfs/dbraw/zinc/60/07/23/1176600723.db2.gz JLAQAVQTOGUGEZ-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001699868461 1176660527 /nfs/dbraw/zinc/66/05/27/1176660527.db2.gz LRJDNSFKZGWBGN-MRXNPFEDSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001699868461 1176660530 /nfs/dbraw/zinc/66/05/30/1176660530.db2.gz LRJDNSFKZGWBGN-MRXNPFEDSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001700888925 1177179513 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LXVXLRJMUPACKY-JKSUJKDBSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001713266487 1178460036 /nfs/dbraw/zinc/46/00/36/1178460036.db2.gz YMPMXBXINQTECI-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713362269 1178521338 /nfs/dbraw/zinc/52/13/38/1178521338.db2.gz VJQBGIFWBYVIBN-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713751524 1178738044 /nfs/dbraw/zinc/73/80/44/1178738044.db2.gz WYZQILQVLGCMGM-CVEARBPZSA-N 2 1 295.471 1.929 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001713914945 1178839940 /nfs/dbraw/zinc/83/99/40/1178839940.db2.gz FDCVDPWFUQVHRN-IYBDPMFKSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001713914945 1178839954 /nfs/dbraw/zinc/83/99/54/1178839954.db2.gz FDCVDPWFUQVHRN-IYBDPMFKSA-N 2 1 291.439 1.724 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001713936281 1178865149 /nfs/dbraw/zinc/86/51/49/1178865149.db2.gz VEIPXACYUFFGIO-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714047593 1178945771 /nfs/dbraw/zinc/94/57/71/1178945771.db2.gz CKNNYUXHJBFKEF-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714047593 1178945777 /nfs/dbraw/zinc/94/57/77/1178945777.db2.gz CKNNYUXHJBFKEF-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714047593 1178945782 /nfs/dbraw/zinc/94/57/82/1178945782.db2.gz CKNNYUXHJBFKEF-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001714050068 1178946550 /nfs/dbraw/zinc/94/65/50/1178946550.db2.gz MISBRXBFFLVPDC-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001714050068 1178946555 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C=CC[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001715996557 1179972648 /nfs/dbraw/zinc/97/26/48/1179972648.db2.gz AIIIIDYAKGARSC-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001716072786 1180031039 /nfs/dbraw/zinc/03/10/39/1180031039.db2.gz HHIROUIDTBDUSU-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001716638607 1180316644 /nfs/dbraw/zinc/31/66/44/1180316644.db2.gz CHEUKFWJZGMQRE-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001716673713 1180358211 /nfs/dbraw/zinc/35/82/11/1180358211.db2.gz YSSJTFBOTBLISV-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001716673713 1180358216 /nfs/dbraw/zinc/35/82/16/1180358216.db2.gz YSSJTFBOTBLISV-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001716696618 1180375807 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KGHLNDLXTNXGED-GDBMZVCRSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001717739754 1180818580 /nfs/dbraw/zinc/81/85/80/1180818580.db2.gz ZTCVZMFNQDKWDR-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001717840873 1180888193 /nfs/dbraw/zinc/88/81/93/1180888193.db2.gz MHRZYXOUGDHHGY-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001717840873 1180888217 /nfs/dbraw/zinc/88/82/17/1180888217.db2.gz MHRZYXOUGDHHGY-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001717840873 1180888227 /nfs/dbraw/zinc/88/82/27/1180888227.db2.gz MHRZYXOUGDHHGY-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001717894699 1180918629 /nfs/dbraw/zinc/91/86/29/1180918629.db2.gz WXTHZMDWFWJIKO-KFWWJZLASA-N 2 1 293.455 1.729 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001717952961 1180945381 /nfs/dbraw/zinc/94/53/81/1180945381.db2.gz SZVBOFSAIFZAAL-UHFFFAOYSA-N 2 1 290.411 1.384 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001717952961 1180945390 /nfs/dbraw/zinc/94/53/90/1180945390.db2.gz SZVBOFSAIFZAAL-UHFFFAOYSA-N 2 1 290.411 1.384 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1CC ZINC001723388711 1181545676 /nfs/dbraw/zinc/54/56/76/1181545676.db2.gz GIXMRYVIYVXHMC-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)Cn1ccnc1 ZINC001723483139 1181574030 /nfs/dbraw/zinc/57/40/30/1181574030.db2.gz GIPWAKOXNBMDJH-ZDUSSCGKSA-N 2 1 262.357 1.040 10 30 CDEEMP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001724184818 1181649040 /nfs/dbraw/zinc/64/90/40/1181649040.db2.gz VUYFMQLTQXTEKO-CQSZACIVSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H](C)Cc2cnc[nH]2)CCC1 ZINC001724797582 1181756959 /nfs/dbraw/zinc/75/69/59/1181756959.db2.gz VAMNLJNJCAAGMX-ZDUSSCGKSA-N 2 1 288.395 1.240 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001731399236 1182360338 /nfs/dbraw/zinc/36/03/38/1182360338.db2.gz KQLWJYHZXYSZQB-AWEZNQCLSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001731407037 1182367658 /nfs/dbraw/zinc/36/76/58/1182367658.db2.gz SDWPGHXHTWBYSJ-CQSZACIVSA-N 2 1 290.411 1.677 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731478980 1182410030 /nfs/dbraw/zinc/41/00/30/1182410030.db2.gz BOMDPFCIFAELLL-OKILXGFUSA-N 2 1 291.439 1.509 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001731806553 1182596322 /nfs/dbraw/zinc/59/63/22/1182596322.db2.gz LBXSWWXEQGOZKT-UHFFFAOYSA-N 2 1 299.378 1.505 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001732282728 1182894034 /nfs/dbraw/zinc/89/40/34/1182894034.db2.gz AUMMQNHWOUUTRR-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001732368151 1182930366 /nfs/dbraw/zinc/93/03/66/1182930366.db2.gz NWSGQLFYLJSOMQ-RDJZCZTQSA-N 2 1 293.455 1.780 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001732547295 1183002906 /nfs/dbraw/zinc/00/29/06/1183002906.db2.gz MLRXPPLSPQCLRP-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001732554162 1183006134 /nfs/dbraw/zinc/00/61/34/1183006134.db2.gz RGSWDJYIMVSLKX-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001732554162 1183006141 /nfs/dbraw/zinc/00/61/41/1183006141.db2.gz RGSWDJYIMVSLKX-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001733334723 1183400676 /nfs/dbraw/zinc/40/06/76/1183400676.db2.gz XKDZXDDLSZAGKB-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@H+]1CCC(F)(F)[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001733476741 1183442862 /nfs/dbraw/zinc/44/28/62/1183442862.db2.gz KWGZKTAITOBTOK-GFCCVEGCSA-N 2 1 289.370 1.198 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001733879589 1183556953 /nfs/dbraw/zinc/55/69/53/1183556953.db2.gz SIZDEGIOOOGYBV-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733879589 1183556956 /nfs/dbraw/zinc/55/69/56/1183556956.db2.gz SIZDEGIOOOGYBV-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733879589 1183556961 /nfs/dbraw/zinc/55/69/61/1183556961.db2.gz SIZDEGIOOOGYBV-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@H+](C)CCCNCc1cc(OC)cc(C)n1 ZINC000380820079 737480400 /nfs/dbraw/zinc/48/04/00/737480400.db2.gz FPQMTVGRSZEOTG-UHFFFAOYSA-N 2 1 261.369 1.443 10 30 CDEEMP C#CCN(C)CCC[NH2+]Cc1cc(OC)cc(C)n1 ZINC000380820079 737480418 /nfs/dbraw/zinc/48/04/18/737480418.db2.gz FPQMTVGRSZEOTG-UHFFFAOYSA-N 2 1 261.369 1.443 10 30 CDEEMP C=CC[C@H]1CC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000934469721 738381838 /nfs/dbraw/zinc/38/18/38/738381838.db2.gz YRVVNQKXONWHOI-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923450948 736804475 /nfs/dbraw/zinc/80/44/75/736804475.db2.gz IUOBVDTVQYMLDF-HNNXBMFYSA-N 2 1 286.379 1.283 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923505059 737761405 /nfs/dbraw/zinc/76/14/05/737761405.db2.gz XFDGAFXHXUVBLF-ZIAGYGMSSA-N 2 1 265.401 1.104 10 30 CDEEMP C=CCN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665762041 737861145 /nfs/dbraw/zinc/86/11/45/737861145.db2.gz YPMQBCVPKJFOCT-ZDUSSCGKSA-N 2 1 270.421 1.086 10 30 CDEEMP C=CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665762041 737861149 /nfs/dbraw/zinc/86/11/49/737861149.db2.gz YPMQBCVPKJFOCT-ZDUSSCGKSA-N 2 1 270.421 1.086 10 30 CDEEMP C#CCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258128 738898354 /nfs/dbraw/zinc/89/83/54/738898354.db2.gz CRHTXXKACZAUHC-AWEZNQCLSA-N 2 1 259.353 1.242 10 30 CDEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N(C)CCC1CCOCC1 ZINC000261936612 739041506 /nfs/dbraw/zinc/04/15/06/739041506.db2.gz COLWSKKOZHDOHB-OAHLLOKOSA-N 2 1 296.459 1.405 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567230583 1168631905 /nfs/dbraw/zinc/63/19/05/1168631905.db2.gz MCGQQSWDSOQVHW-TZMCWYRMSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567324630 1168679153 /nfs/dbraw/zinc/67/91/53/1168679153.db2.gz WBCNFNYUKYTYHH-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@H+](CCNC(=O)CCC[NH+]1CCCC1)C1CC1 ZINC001266621977 895613798 /nfs/dbraw/zinc/61/37/98/895613798.db2.gz NDXHBAKHSCKRKF-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001266695186 895850090 /nfs/dbraw/zinc/85/00/90/895850090.db2.gz NROXNKUCWMSCQW-OWCLPIDISA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267108923 896812931 /nfs/dbraw/zinc/81/29/31/896812931.db2.gz VEJKUAGOURHAJU-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001267233362 897247991 /nfs/dbraw/zinc/24/79/91/897247991.db2.gz SMSFQAPRPMYLHZ-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001481072438 898726007 /nfs/dbraw/zinc/72/60/07/898726007.db2.gz UDQZPUJAROGUDW-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CC[NH2+]C[C@@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@H]1C ZINC001267874419 899930107 /nfs/dbraw/zinc/93/01/07/899930107.db2.gz UEJVKEZDNBARHO-WBVHZDCISA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC=C)C1 ZINC001567701741 1168926373 /nfs/dbraw/zinc/92/63/73/1168926373.db2.gz OANCIERFFAHKTA-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC=C)C1 ZINC001567701741 1168926385 /nfs/dbraw/zinc/92/63/85/1168926385.db2.gz OANCIERFFAHKTA-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC=C)C1 ZINC001567701741 1168926392 /nfs/dbraw/zinc/92/63/92/1168926392.db2.gz OANCIERFFAHKTA-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC=C)C1 ZINC001567701741 1168926398 /nfs/dbraw/zinc/92/63/98/1168926398.db2.gz OANCIERFFAHKTA-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001268099936 901285728 /nfs/dbraw/zinc/28/57/28/901285728.db2.gz JEYXOMZVYQTEMH-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001481696423 901825081 /nfs/dbraw/zinc/82/50/81/901825081.db2.gz KAYRCKFDFOIOBD-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481946043 902388930 /nfs/dbraw/zinc/38/89/30/902388930.db2.gz HKXRHRHUCSVZRT-RHSMWYFYSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001269293702 903668027 /nfs/dbraw/zinc/66/80/27/903668027.db2.gz ZVBLZKMCCAQDKA-CABCVRRESA-N 2 1 279.428 1.129 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269489088 903854886 /nfs/dbraw/zinc/85/48/86/903854886.db2.gz GSSVGAGZLTUPKG-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001269980074 904249385 /nfs/dbraw/zinc/24/93/85/904249385.db2.gz DLVGIIIJGIJZGQ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001270605255 904784284 /nfs/dbraw/zinc/78/42/84/904784284.db2.gz XOCWKFFVQKPVAX-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001270624345 904834922 /nfs/dbraw/zinc/83/49/22/904834922.db2.gz OZMHEDRFRKNTNR-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001270624345 904834938 /nfs/dbraw/zinc/83/49/38/904834938.db2.gz OZMHEDRFRKNTNR-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482323923 905014686 /nfs/dbraw/zinc/01/46/86/905014686.db2.gz NUONOBLBIHXYCL-IHRRRGAJSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567961666 1169096003 /nfs/dbraw/zinc/09/60/03/1169096003.db2.gz JVEFQKHNHZKIRE-SOUVJXGZSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001483376642 911008486 /nfs/dbraw/zinc/00/84/86/911008486.db2.gz KBROUFZHXNOHNZ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001483376642 911008505 /nfs/dbraw/zinc/00/85/05/911008505.db2.gz KBROUFZHXNOHNZ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001483376642 911008523 /nfs/dbraw/zinc/00/85/23/911008523.db2.gz KBROUFZHXNOHNZ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001483420474 911092032 /nfs/dbraw/zinc/09/20/32/911092032.db2.gz LNPHZWYCJINZCU-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(Cl)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001484472221 915798787 /nfs/dbraw/zinc/79/87/87/915798787.db2.gz CWGITHSMCMQCBY-UONOGXRCSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001484472221 915798798 /nfs/dbraw/zinc/79/87/98/915798798.db2.gz CWGITHSMCMQCBY-UONOGXRCSA-N 2 1 299.846 1.613 10 30 CDEEMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484511997 915833205 /nfs/dbraw/zinc/83/32/05/915833205.db2.gz NMEKKJSRJXBKSQ-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001484620031 915956825 /nfs/dbraw/zinc/95/68/25/915956825.db2.gz IORBSYUFVIHYMR-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001484743187 916106745 /nfs/dbraw/zinc/10/67/45/916106745.db2.gz YOXAHWVDEWDRQV-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C[C@@H]1CCC[N@@H+](CCNC(=[NH2+])NC2CCCCC2)C1 ZINC000303888948 935047125 /nfs/dbraw/zinc/04/71/25/935047125.db2.gz LSUNBXUXOCWWEN-CYBMUJFWSA-N 2 1 266.433 1.955 10 30 CDEEMP CC#CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001485666537 917162092 /nfs/dbraw/zinc/16/20/92/917162092.db2.gz OEKDZHKBSWCIFH-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001485666537 917162098 /nfs/dbraw/zinc/16/20/98/917162098.db2.gz OEKDZHKBSWCIFH-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001485666537 917162111 /nfs/dbraw/zinc/16/21/11/917162111.db2.gz OEKDZHKBSWCIFH-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568273984 1169216189 /nfs/dbraw/zinc/21/61/89/1169216189.db2.gz QVPRWLURCJFDGF-BFHYXJOUSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486392364 920975469 /nfs/dbraw/zinc/97/54/69/920975469.db2.gz ZHNHOGLYVMTOAS-ZIAGYGMSSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001273610828 922281666 /nfs/dbraw/zinc/28/16/66/922281666.db2.gz QQUYZVLVZJZRDX-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001491022864 936843257 /nfs/dbraw/zinc/84/32/57/936843257.db2.gz HPCFOVXTMSITRT-ZNMIVQPWSA-N 2 1 277.412 1.121 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568417428 1169278626 /nfs/dbraw/zinc/27/86/26/1169278626.db2.gz XOIPFOLXISQRQY-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001490250825 927060197 /nfs/dbraw/zinc/06/01/97/927060197.db2.gz QWZNBJUYRASIGN-GFCCVEGCSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001490250825 927060212 /nfs/dbraw/zinc/06/02/12/927060212.db2.gz QWZNBJUYRASIGN-GFCCVEGCSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490250825 927060219 /nfs/dbraw/zinc/06/02/19/927060219.db2.gz QWZNBJUYRASIGN-GFCCVEGCSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001490250825 927060238 /nfs/dbraw/zinc/06/02/38/927060238.db2.gz QWZNBJUYRASIGN-GFCCVEGCSA-N 2 1 287.835 1.519 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490345251 927100968 /nfs/dbraw/zinc/10/09/68/927100968.db2.gz YSUWSIRNVVZWHY-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001490345251 927100976 /nfs/dbraw/zinc/10/09/76/927100976.db2.gz YSUWSIRNVVZWHY-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001490345251 927100981 /nfs/dbraw/zinc/10/09/81/927100981.db2.gz YSUWSIRNVVZWHY-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001490388589 927145188 /nfs/dbraw/zinc/14/51/88/927145188.db2.gz YGABUTQGXYSLOI-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001490708236 927294400 /nfs/dbraw/zinc/29/44/00/927294400.db2.gz AQUZCKKLWSBVNY-DZGCQCFKSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001274818601 931587638 /nfs/dbraw/zinc/58/76/38/931587638.db2.gz OCUASQCCLNWHOE-CYBMUJFWSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001275294215 931727131 /nfs/dbraw/zinc/72/71/31/931727131.db2.gz DJTARLDVMGKJKE-UHFFFAOYSA-N 2 1 290.411 1.677 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001275558778 931876701 /nfs/dbraw/zinc/87/67/01/931876701.db2.gz FOTDNKHCRJHULW-BFHYXJOUSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001275558778 931876703 /nfs/dbraw/zinc/87/67/03/931876703.db2.gz FOTDNKHCRJHULW-BFHYXJOUSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001275558778 931876704 /nfs/dbraw/zinc/87/67/04/931876704.db2.gz FOTDNKHCRJHULW-BFHYXJOUSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001277193423 942158384 /nfs/dbraw/zinc/15/83/84/942158384.db2.gz GQGVOLQUUWIVNH-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001279696198 942401693 /nfs/dbraw/zinc/40/16/93/942401693.db2.gz UGTILPFPLSLFJV-UHFFFAOYSA-N 2 1 279.428 1.651 10 30 CDEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001279696198 942401695 /nfs/dbraw/zinc/40/16/95/942401695.db2.gz UGTILPFPLSLFJV-UHFFFAOYSA-N 2 1 279.428 1.651 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001279696198 942401698 /nfs/dbraw/zinc/40/16/98/942401698.db2.gz UGTILPFPLSLFJV-UHFFFAOYSA-N 2 1 279.428 1.651 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001281890547 942629012 /nfs/dbraw/zinc/62/90/12/942629012.db2.gz RGQIJYZQXRPEHS-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001277473809 942741191 /nfs/dbraw/zinc/74/11/91/942741191.db2.gz JPUSQUCEMCFQFZ-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277473809 942741195 /nfs/dbraw/zinc/74/11/95/942741195.db2.gz JPUSQUCEMCFQFZ-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277473809 942741199 /nfs/dbraw/zinc/74/11/99/942741199.db2.gz JPUSQUCEMCFQFZ-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001283340293 942880944 /nfs/dbraw/zinc/88/09/44/942880944.db2.gz HTQCRHPNRGWJEY-MRXNPFEDSA-N 2 1 293.455 1.519 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277725798 943421257 /nfs/dbraw/zinc/42/12/57/943421257.db2.gz BXCGAKCLYFCTNQ-CABCVRRESA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001265365691 944360366 /nfs/dbraw/zinc/36/03/66/944360366.db2.gz DHBXJRQTQHEDQY-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265895015 944561879 /nfs/dbraw/zinc/56/18/79/944561879.db2.gz BWVJSBJNRILWSC-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479724526 971383284 /nfs/dbraw/zinc/38/32/84/971383284.db2.gz OGAGOPMSCQDWFM-QLFBSQMISA-N 2 1 281.444 1.728 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H]1C ZINC001278511625 949324469 /nfs/dbraw/zinc/32/44/69/949324469.db2.gz WOXHABWHKFPHJA-ZFWWWQNUSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001278511625 949324499 /nfs/dbraw/zinc/32/44/99/949324499.db2.gz WOXHABWHKFPHJA-ZFWWWQNUSA-N 2 1 277.412 1.073 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480156511 971605828 /nfs/dbraw/zinc/60/58/28/971605828.db2.gz CNMGSYOJJWRDTO-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001569062366 1169624753 /nfs/dbraw/zinc/62/47/53/1169624753.db2.gz XTYQZPJQSQIURK-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C ZINC001569062366 1169624758 /nfs/dbraw/zinc/62/47/58/1169624758.db2.gz XTYQZPJQSQIURK-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001480331617 971674585 /nfs/dbraw/zinc/67/45/85/971674585.db2.gz HRNTWDOGHZUMNL-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001480465230 971743525 /nfs/dbraw/zinc/74/35/25/971743525.db2.gz YGPQGXCGYUXEPX-UONOGXRCSA-N 2 1 290.411 1.514 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001278685016 951686908 /nfs/dbraw/zinc/68/69/08/951686908.db2.gz QDENRPRVPLQORE-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001480596894 971799892 /nfs/dbraw/zinc/79/98/92/971799892.db2.gz MUNBFAZYNMQLRO-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001324497827 953417790 /nfs/dbraw/zinc/41/77/90/953417790.db2.gz OEORFWSAZJRCJC-ZBFHGGJFSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H](c1ccccc1)N(C)C ZINC001493061162 971934515 /nfs/dbraw/zinc/93/45/15/971934515.db2.gz BAKJQOIICBUXEZ-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001493061162 971934520 /nfs/dbraw/zinc/93/45/20/971934520.db2.gz BAKJQOIICBUXEZ-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001493061162 971934525 /nfs/dbraw/zinc/93/45/25/971934525.db2.gz BAKJQOIICBUXEZ-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001326305427 954311588 /nfs/dbraw/zinc/31/15/88/954311588.db2.gz UKLACDCFZHNNFE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001326603300 954450728 /nfs/dbraw/zinc/45/07/28/954450728.db2.gz KRLPJNNSYHHLBB-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001326760385 954532385 /nfs/dbraw/zinc/53/23/85/954532385.db2.gz ANKXHQIRCGCYIH-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001328050588 955174481 /nfs/dbraw/zinc/17/44/81/955174481.db2.gz OSHWJQVHEKGKIY-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]CC1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001328915590 955552485 /nfs/dbraw/zinc/55/24/85/955552485.db2.gz OYZFCMZKCDPBNB-UHFFFAOYSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC=C ZINC001492036100 955624051 /nfs/dbraw/zinc/62/40/51/955624051.db2.gz CTQXEDORDFFVHD-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC=C ZINC001492036100 955624061 /nfs/dbraw/zinc/62/40/61/955624061.db2.gz CTQXEDORDFFVHD-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317045814 957222850 /nfs/dbraw/zinc/22/28/50/957222850.db2.gz RLFKPBKUMVGKIZ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317045814 957222859 /nfs/dbraw/zinc/22/28/59/957222859.db2.gz RLFKPBKUMVGKIZ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317045814 957222868 /nfs/dbraw/zinc/22/28/68/957222868.db2.gz RLFKPBKUMVGKIZ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282330 957503871 /nfs/dbraw/zinc/50/38/71/957503871.db2.gz PQAZHIPIFZALJK-GJZGRUSLSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425683317 957598371 /nfs/dbraw/zinc/59/83/71/957598371.db2.gz NJHRKBHBMCQFHV-NEPJUHHUSA-N 2 1 273.808 1.127 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001317660671 957627244 /nfs/dbraw/zinc/62/72/44/957627244.db2.gz GMXDVQSZTLQCAB-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001317943431 957822981 /nfs/dbraw/zinc/82/29/81/957822981.db2.gz KHRVEVOBAPLTQV-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494775837 972306551 /nfs/dbraw/zinc/30/65/51/972306551.db2.gz XAHNRCCVNQROEW-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494775837 972306554 /nfs/dbraw/zinc/30/65/54/972306554.db2.gz XAHNRCCVNQROEW-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494775837 972306557 /nfs/dbraw/zinc/30/65/57/972306557.db2.gz XAHNRCCVNQROEW-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318282186 958017403 /nfs/dbraw/zinc/01/74/03/958017403.db2.gz VOQIUVBPWPQAFA-ILXRZTDVSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001494864756 972327021 /nfs/dbraw/zinc/32/70/21/972327021.db2.gz VAUNSMHKFVFYEL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864756 972327025 /nfs/dbraw/zinc/32/70/25/972327025.db2.gz VAUNSMHKFVFYEL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001494864756 972327027 /nfs/dbraw/zinc/32/70/27/972327027.db2.gz VAUNSMHKFVFYEL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001319372082 958522336 /nfs/dbraw/zinc/52/23/36/958522336.db2.gz DEQBBSUDWHIZNV-HNNXBMFYSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319473009 958582668 /nfs/dbraw/zinc/58/26/68/958582668.db2.gz NDZHANUQBZORCN-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC001333995777 958750933 /nfs/dbraw/zinc/75/09/33/958750933.db2.gz SONMSMJJKCQHHB-CQSZACIVSA-N 2 1 265.401 1.191 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001495095454 972406548 /nfs/dbraw/zinc/40/65/48/972406548.db2.gz WIOILKHOMFPDIJ-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001495095457 972407049 /nfs/dbraw/zinc/40/70/49/972407049.db2.gz WIOILKHOMFPDIJ-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001321652253 959889722 /nfs/dbraw/zinc/88/97/22/959889722.db2.gz FTSNHGQONGQUBC-GFCCVEGCSA-N 2 1 292.383 1.164 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001371359805 972486761 /nfs/dbraw/zinc/48/67/61/972486761.db2.gz AXEHNJGLEQBZGV-CMPLNLGQSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001323280008 960606229 /nfs/dbraw/zinc/60/62/29/960606229.db2.gz XARRMMNKRDTPJM-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001323280008 960606243 /nfs/dbraw/zinc/60/62/43/960606243.db2.gz XARRMMNKRDTPJM-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001323981134 961086626 /nfs/dbraw/zinc/08/66/26/961086626.db2.gz INXJXRCSZLCOLY-UHFFFAOYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001323981134 961086636 /nfs/dbraw/zinc/08/66/36/961086636.db2.gz INXJXRCSZLCOLY-UHFFFAOYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421449917 963612177 /nfs/dbraw/zinc/61/21/77/963612177.db2.gz MYALEHIGEPLOGJ-AAEUAGOBSA-N 2 1 287.835 1.565 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496756711 973084932 /nfs/dbraw/zinc/08/49/32/973084932.db2.gz OXFOKWWMJWFYSG-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569725567 1169975624 /nfs/dbraw/zinc/97/56/24/1169975624.db2.gz BHGWKTMZGCKIJW-INIZCTEOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569725567 1169975633 /nfs/dbraw/zinc/97/56/33/1169975633.db2.gz BHGWKTMZGCKIJW-INIZCTEOSA-N 2 1 290.411 1.596 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001499618682 974275552 /nfs/dbraw/zinc/27/55/52/974275552.db2.gz FOBBAQCKMJPFAO-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001499618682 974275558 /nfs/dbraw/zinc/27/55/58/974275558.db2.gz FOBBAQCKMJPFAO-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001499618682 974275562 /nfs/dbraw/zinc/27/55/62/974275562.db2.gz FOBBAQCKMJPFAO-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001499845005 974313284 /nfs/dbraw/zinc/31/32/84/974313284.db2.gz TYQGTYCTQWDRGZ-LSDHHAIUSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001502836465 974792470 /nfs/dbraw/zinc/79/24/70/974792470.db2.gz PQAHATQMSYNYDW-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001505462310 974887431 /nfs/dbraw/zinc/88/74/31/974887431.db2.gz OKYZHTJRFUHFBP-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001506014907 975085185 /nfs/dbraw/zinc/08/51/85/975085185.db2.gz KUYGFYVZLDHYEJ-JKSUJKDBSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001506014907 975085193 /nfs/dbraw/zinc/08/51/93/975085193.db2.gz KUYGFYVZLDHYEJ-JKSUJKDBSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001506014907 975085198 /nfs/dbraw/zinc/08/51/98/975085198.db2.gz KUYGFYVZLDHYEJ-JKSUJKDBSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC)C(C)C ZINC001506179921 975121780 /nfs/dbraw/zinc/12/17/80/975121780.db2.gz ZNOWVXMDCPDSDJ-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@H]([NH2+]CC)C(C)C ZINC001506179921 975121782 /nfs/dbraw/zinc/12/17/82/975121782.db2.gz ZNOWVXMDCPDSDJ-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001378706588 975451458 /nfs/dbraw/zinc/45/14/58/975451458.db2.gz YDQBJERUKRXJBU-YIYPIFLZSA-N 2 1 299.846 1.373 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001508115819 975615408 /nfs/dbraw/zinc/61/54/08/975615408.db2.gz UHIZCEMJWXQOLL-SLTAFYQDSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401876372 975964950 /nfs/dbraw/zinc/96/49/50/975964950.db2.gz SXVPOHOPVLYKJX-TZMCWYRMSA-N 2 1 299.846 1.565 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001391324186 976812846 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CDEEMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399514 330255713 /nfs/dbraw/zinc/25/57/13/330255713.db2.gz YZKQZBXGFNYYKO-HZPDHXFCSA-N 2 1 291.439 1.705 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001692169840 1175689873 /nfs/dbraw/zinc/68/98/73/1175689873.db2.gz QBPOJIDOLSCKMD-OCCSQVGLSA-N 2 1 265.401 1.236 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001270913500 1160229158 /nfs/dbraw/zinc/22/91/58/1160229158.db2.gz JXJWMNDNFSOLDF-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP CC1(C)COCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049609889 520507702 /nfs/dbraw/zinc/50/77/02/520507702.db2.gz MAILQUNWSVKGHA-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP CC1(C)COCC[N@@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049609889 520507695 /nfs/dbraw/zinc/50/76/95/520507695.db2.gz MAILQUNWSVKGHA-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001723435356 1181560188 /nfs/dbraw/zinc/56/01/88/1181560188.db2.gz VRLDKXDBOATMQW-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001725475904 1182014025 /nfs/dbraw/zinc/01/40/25/1182014025.db2.gz WPOLSZAWTTVJFV-CQSZACIVSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001731795784 1182588294 /nfs/dbraw/zinc/58/82/94/1182588294.db2.gz VPBIXXLUZQAHPH-UHFFFAOYSA-N 2 1 253.390 1.096 10 30 CDEEMP CC(C)N[C@@](C#N)(C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083511 519735380 /nfs/dbraw/zinc/73/53/80/519735380.db2.gz UAXUADKVAFZYIN-KRWDZBQOSA-N 2 1 292.471 1.930 10 30 CDEEMP CC(C)N[C@@](C#N)(C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083511 519735381 /nfs/dbraw/zinc/73/53/81/519735381.db2.gz UAXUADKVAFZYIN-KRWDZBQOSA-N 2 1 292.471 1.930 10 30 CDEEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609844 523508314 /nfs/dbraw/zinc/50/83/14/523508314.db2.gz IEMAHSFRXKIKNA-WMLDXEAASA-N 2 1 272.392 1.996 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001689956072 1175321088 /nfs/dbraw/zinc/32/10/88/1175321088.db2.gz DORASLWYXHIGQC-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001689956072 1175321094 /nfs/dbraw/zinc/32/10/94/1175321094.db2.gz DORASLWYXHIGQC-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900352686 622901322 /nfs/dbraw/zinc/90/13/22/622901322.db2.gz IAASODYPALUVQD-LZWOXQAQSA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309225 626758773 /nfs/dbraw/zinc/75/87/73/626758773.db2.gz WDGVEZIDXRFOTD-JTQLQIEISA-N 2 1 270.764 1.754 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001691146023 1158932908 /nfs/dbraw/zinc/93/29/08/1158932908.db2.gz LMPZRBPENLBSMO-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001691146023 1158932913 /nfs/dbraw/zinc/93/29/13/1158932913.db2.gz LMPZRBPENLBSMO-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001691146023 1158932919 /nfs/dbraw/zinc/93/29/19/1158932919.db2.gz LMPZRBPENLBSMO-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691180558 1158948198 /nfs/dbraw/zinc/94/81/98/1158948198.db2.gz FAVDPDIRVDGUMR-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001717214526 1158473557 /nfs/dbraw/zinc/47/35/57/1158473557.db2.gz ZHZSGRODXPOXPJ-UHFFFAOYSA-N 2 1 265.401 1.049 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001725686887 1159265237 /nfs/dbraw/zinc/26/52/37/1159265237.db2.gz WKKGLOCORDLZPD-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC001626750941 1165956513 /nfs/dbraw/zinc/95/65/13/1165956513.db2.gz NCFXRHLYHRRXKJ-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC001626750941 1165956517 /nfs/dbraw/zinc/95/65/17/1165956517.db2.gz NCFXRHLYHRRXKJ-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC001626750941 1165956522 /nfs/dbraw/zinc/95/65/22/1165956522.db2.gz NCFXRHLYHRRXKJ-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568969945 1169568602 /nfs/dbraw/zinc/56/86/02/1169568602.db2.gz RFTAGBRVXWPSFY-KIUWMYQTSA-N 2 1 279.428 1.699 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001656997689 1171913278 /nfs/dbraw/zinc/91/32/78/1171913278.db2.gz GLTKRYRNKRQPAD-ILXRZTDVSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666551940 1173151056 /nfs/dbraw/zinc/15/10/56/1173151056.db2.gz AKJXKDMRMUFROI-RBSFLKMASA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001667393671 1173262657 /nfs/dbraw/zinc/26/26/57/1173262657.db2.gz ORHZAZYZYOUELL-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001688950752 1175076967 /nfs/dbraw/zinc/07/69/67/1175076967.db2.gz WGOYNMCGIGUQSN-HDJSIYSDSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001690687307 1175545434 /nfs/dbraw/zinc/54/54/34/1175545434.db2.gz RBPDFBYWSVPPPU-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001690874979 1175597991 /nfs/dbraw/zinc/59/79/91/1175597991.db2.gz XYJAJGYPJMMZEA-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001692169840 1175689864 /nfs/dbraw/zinc/68/98/64/1175689864.db2.gz QBPOJIDOLSCKMD-OCCSQVGLSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001692169840 1175689870 /nfs/dbraw/zinc/68/98/70/1175689870.db2.gz QBPOJIDOLSCKMD-OCCSQVGLSA-N 2 1 265.401 1.236 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001692264164 1175721502 /nfs/dbraw/zinc/72/15/02/1175721502.db2.gz ZZGWCGZMTJXHMJ-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001692264164 1175721508 /nfs/dbraw/zinc/72/15/08/1175721508.db2.gz ZZGWCGZMTJXHMJ-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001692344655 1175744387 /nfs/dbraw/zinc/74/43/87/1175744387.db2.gz XVGHFQFJIWRHMV-AWEZNQCLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001698996853 1176025098 /nfs/dbraw/zinc/02/50/98/1176025098.db2.gz FOMJPBPZPRNIEF-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001698996853 1176025108 /nfs/dbraw/zinc/02/51/08/1176025108.db2.gz FOMJPBPZPRNIEF-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001698996853 1176025117 /nfs/dbraw/zinc/02/51/17/1176025117.db2.gz FOMJPBPZPRNIEF-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001699738359 1176597952 /nfs/dbraw/zinc/59/79/52/1176597952.db2.gz KYSAMSFVNGONTP-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700651740 1177058347 /nfs/dbraw/zinc/05/83/47/1177058347.db2.gz OPYFICHLANEIHS-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001700675779 1177070017 /nfs/dbraw/zinc/07/00/17/1177070017.db2.gz OKRFNQOHHAXFHC-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001700869559 1177170967 /nfs/dbraw/zinc/17/09/67/1177170967.db2.gz VIJUFRJCCAZFKX-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001700869559 1177170971 /nfs/dbraw/zinc/17/09/71/1177170971.db2.gz VIJUFRJCCAZFKX-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001700869559 1177170974 /nfs/dbraw/zinc/17/09/74/1177170974.db2.gz VIJUFRJCCAZFKX-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001707264399 1177987751 /nfs/dbraw/zinc/98/77/51/1177987751.db2.gz PUPFUBIKTIQKKL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001707264399 1177987755 /nfs/dbraw/zinc/98/77/55/1177987755.db2.gz PUPFUBIKTIQKKL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001707264399 1177987762 /nfs/dbraw/zinc/98/77/62/1177987762.db2.gz PUPFUBIKTIQKKL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001723408495 1178120995 /nfs/dbraw/zinc/12/09/95/1178120995.db2.gz XOONFDKGYNXJHF-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001723408495 1178120999 /nfs/dbraw/zinc/12/09/99/1178120999.db2.gz XOONFDKGYNXJHF-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001723408495 1178121004 /nfs/dbraw/zinc/12/10/04/1178121004.db2.gz XOONFDKGYNXJHF-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001713134543 1178388039 /nfs/dbraw/zinc/38/80/39/1178388039.db2.gz PECSFTFOQRNQPY-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713134543 1178388046 /nfs/dbraw/zinc/38/80/46/1178388046.db2.gz PECSFTFOQRNQPY-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713134543 1178388052 /nfs/dbraw/zinc/38/80/52/1178388052.db2.gz PECSFTFOQRNQPY-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713135520 1178389280 /nfs/dbraw/zinc/38/92/80/1178389280.db2.gz LPFHWPFYOMQUAJ-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713135520 1178389289 /nfs/dbraw/zinc/38/92/89/1178389289.db2.gz LPFHWPFYOMQUAJ-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713135520 1178389294 /nfs/dbraw/zinc/38/92/94/1178389294.db2.gz LPFHWPFYOMQUAJ-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001713165111 1178406962 /nfs/dbraw/zinc/40/69/62/1178406962.db2.gz ZATNXKVKQDAEHM-HDJSIYSDSA-N 2 1 276.384 1.395 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713609584 1178679828 /nfs/dbraw/zinc/67/98/28/1178679828.db2.gz MFVABRYXQGMQLJ-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001714283682 1179064673 /nfs/dbraw/zinc/06/46/73/1179064673.db2.gz IEZTZVXRECTZJB-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714454640 1179146770 /nfs/dbraw/zinc/14/67/70/1179146770.db2.gz QNEISQBKADHDJD-OAHLLOKOSA-N 2 1 277.412 1.028 10 30 CDEEMP 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293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001732118170 1182782162 /nfs/dbraw/zinc/78/21/62/1182782162.db2.gz ANVJRDBWIGGPGA-MRXNPFEDSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001732318067 1182904999 /nfs/dbraw/zinc/90/49/99/1182904999.db2.gz CLCNSJFPJIAHEN-HNNXBMFYSA-N 2 1 299.418 1.367 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001732545831 1183003438 /nfs/dbraw/zinc/00/34/38/1183003438.db2.gz IEURNYGWGOHOKK-ZFWWWQNUSA-N 2 1 290.411 1.594 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001732943882 1183194117 /nfs/dbraw/zinc/19/41/17/1183194117.db2.gz RELFUQHOZDXMQK-IBSYWUHOSA-N 2 1 299.418 1.575 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001733171192 1183315560 /nfs/dbraw/zinc/31/55/60/1183315560.db2.gz BHVZFXLHTWQCHI-HNNXBMFYSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001733334595 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RRSNLJMXOGKPMU-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001484615933 915950710 /nfs/dbraw/zinc/95/07/10/915950710.db2.gz KCVPEUGWMSQGDR-BZUAXINKSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485068671 916452734 /nfs/dbraw/zinc/45/27/34/916452734.db2.gz GTHHXLWHCIISLC-CABCVRRESA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001485322139 916839690 /nfs/dbraw/zinc/83/96/90/916839690.db2.gz HIVRZQYHRZMLFW-GFCCVEGCSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001485322139 916839704 /nfs/dbraw/zinc/83/97/04/916839704.db2.gz HIVRZQYHRZMLFW-GFCCVEGCSA-N 2 1 294.399 1.362 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001485344131 916858462 /nfs/dbraw/zinc/85/84/62/916858462.db2.gz MQXAGADMUWQDDB-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP 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C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001276588565 940392427 /nfs/dbraw/zinc/39/24/27/940392427.db2.gz JJUGTRKHKGSXEC-HZPDHXFCSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)CC1 ZINC001277088321 941935248 /nfs/dbraw/zinc/93/52/48/941935248.db2.gz YYCSQVTYHZQMIR-VXGBXAGGSA-N 2 1 274.368 1.328 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001277258848 942252444 /nfs/dbraw/zinc/25/24/44/942252444.db2.gz CSTZEOUSCZFSOS-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001281476550 942581909 /nfs/dbraw/zinc/58/19/09/942581909.db2.gz VGJIUBGMRFLQEU-DOTOQJQBSA-N 2 1 299.418 1.188 10 30 CDEEMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC001281476550 942581910 /nfs/dbraw/zinc/58/19/10/942581910.db2.gz VGJIUBGMRFLQEU-DOTOQJQBSA-N 2 1 299.418 1.188 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001281663258 942604818 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CDEEMP C=C(C)C[N@@H+](C)CCOCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001277515461 942889156 /nfs/dbraw/zinc/88/91/56/942889156.db2.gz XLEVLICQPPOVPK-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001277515461 942889159 /nfs/dbraw/zinc/88/91/59/942889159.db2.gz XLEVLICQPPOVPK-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277515461 942889164 /nfs/dbraw/zinc/88/91/64/942889164.db2.gz XLEVLICQPPOVPK-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283556431 942931645 /nfs/dbraw/zinc/93/16/45/942931645.db2.gz LWRYHDLSKZHSFO-GJZGRUSLSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001283617684 942949994 /nfs/dbraw/zinc/94/99/94/942949994.db2.gz KFJPDUROUYPSOU-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001265215922 944281138 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CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001277987392 944522873 /nfs/dbraw/zinc/52/28/73/944522873.db2.gz HZNUCPICFNIYAT-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001266186853 944741702 /nfs/dbraw/zinc/74/17/02/944741702.db2.gz JJCZSZAVBFNEOD-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001479241582 971272734 /nfs/dbraw/zinc/27/27/34/971272734.db2.gz QVYVZXHBNJKGCM-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001479375031 971314450 /nfs/dbraw/zinc/31/44/50/971314450.db2.gz LPQGCJKLNDVFBB-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001479580223 971343359 /nfs/dbraw/zinc/34/33/59/971343359.db2.gz FIYIGBWKCYDGEU-OAGGEKHMSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001280993962 947788140 /nfs/dbraw/zinc/78/81/40/947788140.db2.gz AAZAZTCGZPKAMP-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001279039736 948632987 /nfs/dbraw/zinc/63/29/87/948632987.db2.gz YQKIJHKEUFQJPK-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001480067112 971561092 /nfs/dbraw/zinc/56/10/92/971561092.db2.gz WLMHPASYKHNTDM-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001480785426 971878106 /nfs/dbraw/zinc/87/81/06/971878106.db2.gz DBDXCJONBDFHBS-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](CC)[NH+](C)C ZINC001569139440 1169683341 /nfs/dbraw/zinc/68/33/41/1169683341.db2.gz NUDDZOFHMVCHLJ-OLZOCXBDSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001324817659 953588825 /nfs/dbraw/zinc/58/88/25/953588825.db2.gz KUDCOELBVRWXSH-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001325454315 953911004 /nfs/dbraw/zinc/91/10/04/953911004.db2.gz FCFJWFBBVDYXMO-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001493206883 971984359 /nfs/dbraw/zinc/98/43/59/971984359.db2.gz KKJNVVLRVSXRMM-KBPBESRZSA-N 2 1 285.407 1.290 10 30 CDEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001316658906 954709970 /nfs/dbraw/zinc/70/99/70/954709970.db2.gz UJBVZUOIDQTDOQ-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001327164811 954742798 /nfs/dbraw/zinc/74/27/98/954742798.db2.gz WSEKKNHDHKASAP-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001327969432 955138445 /nfs/dbraw/zinc/13/84/45/955138445.db2.gz HYXQQUIDDSOPBI-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001328869157 955526443 /nfs/dbraw/zinc/52/64/43/955526443.db2.gz LDJLUHYNOLDUHN-UHFFFAOYSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(C)C ZINC001492036072 955622832 /nfs/dbraw/zinc/62/28/32/955622832.db2.gz CEONMSDWXQHMDE-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(C)C ZINC001492036072 955622841 /nfs/dbraw/zinc/62/28/41/955622841.db2.gz CEONMSDWXQHMDE-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001492118805 955635050 /nfs/dbraw/zinc/63/50/50/955635050.db2.gz GKOAGWKHXGTCCN-HIFRSBDPSA-N 2 1 265.401 1.143 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001492164893 955662657 /nfs/dbraw/zinc/66/26/57/955662657.db2.gz ITTKHJWYQCPHAF-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492164893 955662666 /nfs/dbraw/zinc/66/26/66/955662666.db2.gz ITTKHJWYQCPHAF-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001492164893 955662675 /nfs/dbraw/zinc/66/26/75/955662675.db2.gz ITTKHJWYQCPHAF-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492303816 955787832 /nfs/dbraw/zinc/78/78/32/955787832.db2.gz PPWSMJXWPVJILA-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001492303816 955787845 /nfs/dbraw/zinc/78/78/45/955787845.db2.gz PPWSMJXWPVJILA-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001492303816 955787853 /nfs/dbraw/zinc/78/78/53/955787853.db2.gz PPWSMJXWPVJILA-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001480651722 955889024 /nfs/dbraw/zinc/88/90/24/955889024.db2.gz METXIEAYPVPOTH-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317046107 957226154 /nfs/dbraw/zinc/22/61/54/957226154.db2.gz VGKCJXGOLQMAKW-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317165576 957315707 /nfs/dbraw/zinc/31/57/07/957315707.db2.gz IPNGDRRMYYWRBV-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317177444 957324734 /nfs/dbraw/zinc/32/47/34/957324734.db2.gz UOAWWVAKQDHHMH-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317177444 957324747 /nfs/dbraw/zinc/32/47/47/957324747.db2.gz UOAWWVAKQDHHMH-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317177444 957324759 /nfs/dbraw/zinc/32/47/59/957324759.db2.gz UOAWWVAKQDHHMH-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317181638 957327788 /nfs/dbraw/zinc/32/77/88/957327788.db2.gz USLBYIJABUOPKL-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001332009542 957395209 /nfs/dbraw/zinc/39/52/09/957395209.db2.gz WBEASISAKPDCAH-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001317464074 957494482 /nfs/dbraw/zinc/49/44/82/957494482.db2.gz QZMAZMZWDYRERU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001317806082 957672632 /nfs/dbraw/zinc/67/26/32/957672632.db2.gz RCMFJCUAQYKTKV-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001317806082 957672635 /nfs/dbraw/zinc/67/26/35/957672635.db2.gz RCMFJCUAQYKTKV-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001317806082 957672640 /nfs/dbraw/zinc/67/26/40/957672640.db2.gz RCMFJCUAQYKTKV-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)CCc2cnc[nH]2)CC1 ZINC001332950769 957967539 /nfs/dbraw/zinc/96/75/39/957967539.db2.gz ZZIJEOZVGYVYNB-CYBMUJFWSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001494793769 972308866 /nfs/dbraw/zinc/30/88/66/972308866.db2.gz MPBOZDJROHUHPY-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001318654829 958216036 /nfs/dbraw/zinc/21/60/36/958216036.db2.gz REYDYKMZYRIYAD-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494909657 972334272 /nfs/dbraw/zinc/33/42/72/972334272.db2.gz HAYGWVICCQCEMO-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001318979908 958329456 /nfs/dbraw/zinc/32/94/56/958329456.db2.gz WXCDJLRUAJZLRJ-HDJSIYSDSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001319508752 958599404 /nfs/dbraw/zinc/59/94/04/958599404.db2.gz CXDJFFQBBPABIP-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495298766 972467427 /nfs/dbraw/zinc/46/74/27/972467427.db2.gz KGVYHIDCHVRKHY-RHSMWYFYSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001321870601 959993587 /nfs/dbraw/zinc/99/35/87/959993587.db2.gz OXQQOLHDRPXJRU-GOEBONIOSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001437194050 962722788 /nfs/dbraw/zinc/72/27/88/962722788.db2.gz CCXBVEMISXZXMJ-AVGNSLFASA-N 2 1 287.835 1.564 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001440450721 964053250 /nfs/dbraw/zinc/05/32/50/964053250.db2.gz UBAKGTBNNGAVOI-KGLIPLIRSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001440450721 964053269 /nfs/dbraw/zinc/05/32/69/964053269.db2.gz UBAKGTBNNGAVOI-KGLIPLIRSA-N 2 1 299.846 1.471 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001569499720 1169901966 /nfs/dbraw/zinc/90/19/66/1169901966.db2.gz MWFABUFXDXZTDD-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001502796861 974786251 /nfs/dbraw/zinc/78/62/51/974786251.db2.gz AMVCXJPRXAUEKE-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001503023144 974809042 /nfs/dbraw/zinc/80/90/42/974809042.db2.gz KVUWIGSHKXPBND-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503023144 974809046 /nfs/dbraw/zinc/80/90/46/974809046.db2.gz KVUWIGSHKXPBND-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001503023144 974809050 /nfs/dbraw/zinc/80/90/50/974809050.db2.gz KVUWIGSHKXPBND-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001505434237 974876604 /nfs/dbraw/zinc/87/66/04/974876604.db2.gz NHOBAUUEKXTDNZ-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001505434237 974876608 /nfs/dbraw/zinc/87/66/08/974876608.db2.gz NHOBAUUEKXTDNZ-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001505537738 974902246 /nfs/dbraw/zinc/90/22/46/974902246.db2.gz KILOHRRGNQAOKB-UYSNPLJNSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001505833665 974998263 /nfs/dbraw/zinc/99/82/63/974998263.db2.gz OENWLSSLBZSVFX-CQSZACIVSA-N 2 1 281.444 1.588 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505920698 975044050 /nfs/dbraw/zinc/04/40/50/975044050.db2.gz RSLMMJVCVKWEAW-ZBFHGGJFSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001506943933 975269232 /nfs/dbraw/zinc/26/92/32/975269232.db2.gz FIGMXMRRURGSGV-HOCLYGCPSA-N 2 1 279.428 1.533 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001406354231 976145324 /nfs/dbraw/zinc/14/53/24/976145324.db2.gz PPFFQYTZYCXEQW-CHWSQXEVSA-N 2 1 287.835 1.706 10 30 CDEEMP C#CCC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001677441031 1174360633 /nfs/dbraw/zinc/36/06/33/1174360633.db2.gz COPHMNRWMWUYCO-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570543313 1170186104 /nfs/dbraw/zinc/18/61/04/1170186104.db2.gz GFBJBPDRIDPEIW-GJZGRUSLSA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571257194 1170355903 /nfs/dbraw/zinc/35/59/03/1170355903.db2.gz MAYGWDSULURLPB-RRFJBIMHSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565593 1170478966 /nfs/dbraw/zinc/47/89/66/1170478966.db2.gz CFGCHTMBHVAQJF-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001656140673 1171778249 /nfs/dbraw/zinc/77/82/49/1171778249.db2.gz UCXYOENJLPOHPS-ZNMIVQPWSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001656734271 1171866450 /nfs/dbraw/zinc/86/64/50/1171866450.db2.gz ZUVRPQSIRZKYPN-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437101 342898121 /nfs/dbraw/zinc/89/81/21/342898121.db2.gz IAIREWQEHGMXQE-KGLIPLIRSA-N 2 1 280.416 1.340 10 30 CDEEMP C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C1=CC[N@@H+](C)CC1 ZINC000600736638 342244298 /nfs/dbraw/zinc/24/42/98/342244298.db2.gz SLQXRTLFMXWCDL-TZMCWYRMSA-N 2 1 263.385 1.281 10 30 CDEEMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594948303 342981517 /nfs/dbraw/zinc/98/15/17/342981517.db2.gz ZEUGNQYJTBSVJQ-KRWDZBQOSA-N 2 1 285.391 1.398 10 30 CDEEMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594948303 342981518 /nfs/dbraw/zinc/98/15/18/342981518.db2.gz ZEUGNQYJTBSVJQ-KRWDZBQOSA-N 2 1 285.391 1.398 10 30 CDEEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595935508 343201818 /nfs/dbraw/zinc/20/18/18/343201818.db2.gz DVJIEOGTGQNODT-ZIAGYGMSSA-N 2 1 294.443 1.634 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(F)c1C#N ZINC000596423739 343311652 /nfs/dbraw/zinc/31/16/52/343311652.db2.gz BALMSZMHAKGUMP-UHFFFAOYSA-N 2 1 278.375 1.993 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(F)c1C#N ZINC000596423739 343311655 /nfs/dbraw/zinc/31/16/55/343311655.db2.gz BALMSZMHAKGUMP-UHFFFAOYSA-N 2 1 278.375 1.993 10 30 CDEEMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc(C#N)c1 ZINC000611244093 346717439 /nfs/dbraw/zinc/71/74/39/346717439.db2.gz WPVWTAZYRUSQST-UHFFFAOYSA-N 2 1 269.352 1.980 10 30 CDEEMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000611244093 346717444 /nfs/dbraw/zinc/71/74/44/346717444.db2.gz WPVWTAZYRUSQST-UHFFFAOYSA-N 2 1 269.352 1.980 10 30 CDEEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600720371 358705275 /nfs/dbraw/zinc/70/52/75/358705275.db2.gz OUDOQTIFLPROTQ-TZMCWYRMSA-N 2 1 276.384 1.472 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001660826817 1172282303 /nfs/dbraw/zinc/28/23/03/1172282303.db2.gz ZZSXDRSXMRNWHZ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001660826817 1172282309 /nfs/dbraw/zinc/28/23/09/1172282309.db2.gz ZZSXDRSXMRNWHZ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001660826817 1172282313 /nfs/dbraw/zinc/28/23/13/1172282313.db2.gz ZZSXDRSXMRNWHZ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246491320 360866430 /nfs/dbraw/zinc/86/64/30/360866430.db2.gz AOKZQNIXUKJQHW-IJEWVQPXSA-N 2 1 294.443 1.455 10 30 CDEEMP C=CCNC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971412 375261261 /nfs/dbraw/zinc/26/12/61/375261261.db2.gz DXEGKMRWWZTBJO-UHFFFAOYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000133007098 375661097 /nfs/dbraw/zinc/66/10/97/375661097.db2.gz ZSFZXLAGKIMZCJ-OAHLLOKOSA-N 2 1 251.418 1.664 10 30 CDEEMP C=CCn1cc(C[NH2+]CCC[NH+]2CCCC2)c(C)n1 ZINC000055270898 391601598 /nfs/dbraw/zinc/60/15/98/391601598.db2.gz IFBMOMGVKOBGAL-UHFFFAOYSA-N 2 1 262.401 1.953 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[NH+](C3CCC3)CC2)CCC[NH2+]1 ZINC000662731387 413397872 /nfs/dbraw/zinc/39/78/72/413397872.db2.gz DRCPCKCXNLAPHI-MRXNPFEDSA-N 2 1 277.412 1.381 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665152429 1172951986 /nfs/dbraw/zinc/95/19/86/1172951986.db2.gz IWNBCVCFJYTZMK-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP CC(=O)N1CCC[N@@H+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043684238 175092718 /nfs/dbraw/zinc/09/27/18/175092718.db2.gz GACUMNQQCSWGLG-UHFFFAOYSA-N 2 1 291.420 1.113 10 30 CDEEMP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044531161 175196022 /nfs/dbraw/zinc/19/60/22/175196022.db2.gz PLXVNAAGLYIHEY-ZDUSSCGKSA-N 2 1 286.379 1.558 10 30 CDEEMP C[NH+](CC#CC[N@H+](C)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000341901022 263367230 /nfs/dbraw/zinc/36/72/30/263367230.db2.gz JRBWJTHACNONDY-HZPDHXFCSA-N 2 1 280.412 1.211 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001668746177 1173455984 /nfs/dbraw/zinc/45/59/84/1173455984.db2.gz TYDGWJOIUWPSDY-PCAWENJQSA-N 2 1 271.792 1.095 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001267276048 1159228512 /nfs/dbraw/zinc/22/85/12/1159228512.db2.gz MRGWQHXOLFCBNO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C[NH+](C)C(C)C ZINC001731816538 1159346351 /nfs/dbraw/zinc/34/63/51/1159346351.db2.gz NRDUNKALPBZTCV-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@H+](C)C(C)C ZINC001731816538 1159346360 /nfs/dbraw/zinc/34/63/60/1159346360.db2.gz NRDUNKALPBZTCV-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@@H+](C)C(C)C ZINC001731816538 1159346368 /nfs/dbraw/zinc/34/63/68/1159346368.db2.gz NRDUNKALPBZTCV-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001732133129 1159738138 /nfs/dbraw/zinc/73/81/38/1159738138.db2.gz DPLFEOACBAJSDO-CQSZACIVSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001700465526 1160676214 /nfs/dbraw/zinc/67/62/14/1160676214.db2.gz GDMZVPIECKODMZ-CQSZACIVSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700465526 1160676218 /nfs/dbraw/zinc/67/62/18/1160676218.db2.gz GDMZVPIECKODMZ-CQSZACIVSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700465526 1160676221 /nfs/dbraw/zinc/67/62/21/1160676221.db2.gz GDMZVPIECKODMZ-CQSZACIVSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001485173823 1161272421 /nfs/dbraw/zinc/27/24/21/1161272421.db2.gz HSDOBHLTTNESLC-GJZGRUSLSA-N 2 1 293.455 1.757 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716480167 1180242981 /nfs/dbraw/zinc/24/29/81/1180242981.db2.gz NZRGVVBIBWTWGY-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716480167 1180242983 /nfs/dbraw/zinc/24/29/83/1180242983.db2.gz NZRGVVBIBWTWGY-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716480167 1180242990 /nfs/dbraw/zinc/24/29/90/1180242990.db2.gz NZRGVVBIBWTWGY-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001717971336 1180953206 /nfs/dbraw/zinc/95/32/06/1180953206.db2.gz JMYHCNSYBJCIRG-UONOGXRCSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001732793727 1183126907 /nfs/dbraw/zinc/12/69/07/1183126907.db2.gz HZAXGXMPZHRZMV-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP CN(C)C[C@@H]1CCC[N@@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000061652297 521841969 /nfs/dbraw/zinc/84/19/69/521841969.db2.gz ZEXQXLSFQJKFCN-KRWDZBQOSA-N 2 1 271.408 1.523 10 30 CDEEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000061652297 521841978 /nfs/dbraw/zinc/84/19/78/521841978.db2.gz ZEXQXLSFQJKFCN-KRWDZBQOSA-N 2 1 271.408 1.523 10 30 CDEEMP C[N@H+](CC1CC[NH+](C)CC1)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069083518 522659843 /nfs/dbraw/zinc/65/98/43/522659843.db2.gz WXWFUTGMZUGGGR-KRWDZBQOSA-N 2 1 290.455 1.684 10 30 CDEEMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@](C#N)(NC1CC1)C1CC1 ZINC000069083518 522659847 /nfs/dbraw/zinc/65/98/47/522659847.db2.gz WXWFUTGMZUGGGR-KRWDZBQOSA-N 2 1 290.455 1.684 10 30 CDEEMP C[C@H]1C[NH+](Cc2ccc(C#CC[NH3+])cc2)C[C@H](C)O1 ZINC000049608434 524615513 /nfs/dbraw/zinc/61/55/13/524615513.db2.gz CNSLQDBLAQJSLU-KBPBESRZSA-N 2 1 258.365 1.606 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000903422873 625993931 /nfs/dbraw/zinc/99/39/31/625993931.db2.gz KTAGVMAEWVDFBO-UHFFFAOYSA-N 2 1 286.423 1.512 10 30 CDEEMP N#Cc1ccc(N[C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000903987995 626174849 /nfs/dbraw/zinc/17/48/49/626174849.db2.gz MADRKCUONMBIMD-MRXNPFEDSA-N 2 1 299.422 1.829 10 30 CDEEMP CCC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912509767 630049453 /nfs/dbraw/zinc/04/94/53/630049453.db2.gz QCKLCVDVUPCJEX-LBPRGKRZSA-N 2 1 254.422 1.824 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1CCCC=C ZINC001670651662 1158675155 /nfs/dbraw/zinc/67/51/55/1158675155.db2.gz WOIDXUIKKKSPBH-CVEARBPZSA-N 2 1 289.423 1.241 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691198220 1158953486 /nfs/dbraw/zinc/95/34/86/1158953486.db2.gz LXVNHGJJBMLOBT-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691198220 1158953488 /nfs/dbraw/zinc/95/34/88/1158953488.db2.gz LXVNHGJJBMLOBT-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691198220 1158953490 /nfs/dbraw/zinc/95/34/90/1158953490.db2.gz LXVNHGJJBMLOBT-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691417032 1159064417 /nfs/dbraw/zinc/06/44/17/1159064417.db2.gz SRYIICZVRZGPCS-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417032 1159064426 /nfs/dbraw/zinc/06/44/26/1159064426.db2.gz SRYIICZVRZGPCS-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417032 1159064431 /nfs/dbraw/zinc/06/44/31/1159064431.db2.gz SRYIICZVRZGPCS-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001691043570 1158689163 /nfs/dbraw/zinc/68/91/63/1158689163.db2.gz QRNNIEYXKGXTIH-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001670792814 1159819508 /nfs/dbraw/zinc/81/95/08/1159819508.db2.gz AHWSUHGFFLYWKZ-HNNXBMFYSA-N 2 1 291.439 1.818 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001270136931 1160093587 /nfs/dbraw/zinc/09/35/87/1160093587.db2.gz SGTVOSJZRYYBOU-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671736236 1161394429 /nfs/dbraw/zinc/39/44/29/1161394429.db2.gz QBPQRXIGJFGSPM-IIAWOOMASA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001566465213 1168289405 /nfs/dbraw/zinc/28/94/05/1168289405.db2.gz KEIUUUPYTJOUDD-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001566465213 1168289413 /nfs/dbraw/zinc/28/94/13/1168289413.db2.gz KEIUUUPYTJOUDD-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001569578988 1169929959 /nfs/dbraw/zinc/92/99/59/1169929959.db2.gz ZNURDOCAAZRLOT-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[N@H+](C)CC ZINC001570521872 1170175812 /nfs/dbraw/zinc/17/58/12/1170175812.db2.gz IEHNWHYLLHVJFH-SJLPKXTDSA-N 2 1 299.418 1.333 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001657071418 1171926189 /nfs/dbraw/zinc/92/61/89/1171926189.db2.gz YWOMPRGCIHPXEM-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001657071418 1171926197 /nfs/dbraw/zinc/92/61/97/1171926197.db2.gz YWOMPRGCIHPXEM-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001657071418 1171926206 /nfs/dbraw/zinc/92/62/06/1171926206.db2.gz YWOMPRGCIHPXEM-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001662797240 1172596335 /nfs/dbraw/zinc/59/63/35/1172596335.db2.gz PDUZAHXOCLUJBI-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664818246 1172917300 /nfs/dbraw/zinc/91/73/00/1172917300.db2.gz RBMHKBRORHNMPD-ZIAGYGMSSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001665357995 1172985170 /nfs/dbraw/zinc/98/51/70/1172985170.db2.gz GQMJNSMXRSHWPA-ZDUSSCGKSA-N 2 1 290.411 1.594 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001666173091 1173116407 /nfs/dbraw/zinc/11/64/07/1173116407.db2.gz QMRAWOPWCCACMN-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001690540557 1175491170 /nfs/dbraw/zinc/49/11/70/1175491170.db2.gz SOECFBCJMXYFTP-FHERZECASA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001690584615 1175512459 /nfs/dbraw/zinc/51/24/59/1175512459.db2.gz PQJHZXJMNBVMEJ-HOCLYGCPSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691876063 1175643596 /nfs/dbraw/zinc/64/35/96/1175643596.db2.gz RSHNSQNRAISWRK-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691876063 1175643600 /nfs/dbraw/zinc/64/36/00/1175643600.db2.gz RSHNSQNRAISWRK-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691876063 1175643603 /nfs/dbraw/zinc/64/36/03/1175643603.db2.gz RSHNSQNRAISWRK-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001692086175 1175675498 /nfs/dbraw/zinc/67/54/98/1175675498.db2.gz OZLPQESBKZHQGI-OAGGEKHMSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001698844738 1175960753 /nfs/dbraw/zinc/96/07/53/1175960753.db2.gz FBJKRUKKELWCOG-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698883814 1175976162 /nfs/dbraw/zinc/97/61/62/1175976162.db2.gz GEQOUJZVVPKQKU-CVEARBPZSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699533199 1176466566 /nfs/dbraw/zinc/46/65/66/1176466566.db2.gz FOTWWTQZRBWCNR-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001699602157 1176495371 /nfs/dbraw/zinc/49/53/71/1176495371.db2.gz JCPPQMWDWPIRLF-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001699877406 1176665676 /nfs/dbraw/zinc/66/56/76/1176665676.db2.gz XGBDEUXAFQQXHS-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001699877406 1176665682 /nfs/dbraw/zinc/66/56/82/1176665682.db2.gz XGBDEUXAFQQXHS-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001699877406 1176665687 /nfs/dbraw/zinc/66/56/87/1176665687.db2.gz XGBDEUXAFQQXHS-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001700313360 1176844005 /nfs/dbraw/zinc/84/40/05/1176844005.db2.gz HZESIZIILXOWHB-UONOGXRCSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001700464712 1176953462 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CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714913218 1179449993 /nfs/dbraw/zinc/44/99/93/1179449993.db2.gz ZCQSJAJISFEDSN-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001715522835 1179697992 /nfs/dbraw/zinc/69/79/92/1179697992.db2.gz GNSJBOZMJKDEHQ-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001715522835 1179697996 /nfs/dbraw/zinc/69/79/96/1179697996.db2.gz GNSJBOZMJKDEHQ-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001715985301 1179964829 /nfs/dbraw/zinc/96/48/29/1179964829.db2.gz YSSWDSYIPBRXBD-NSHDSACASA-N 2 1 280.372 1.020 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001716329940 1180156533 /nfs/dbraw/zinc/15/65/33/1180156533.db2.gz MLANCYPFIPSETG-WLBISTCBSA-N 2 1 279.428 1.697 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001716334461 1180159189 /nfs/dbraw/zinc/15/91/89/1180159189.db2.gz RWVHFKUSHBIMPI-MOEXGYKKSA-N 2 1 291.439 1.394 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716482951 1180245053 /nfs/dbraw/zinc/24/50/53/1180245053.db2.gz VKFYTACQJYQUIA-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716482951 1180245057 /nfs/dbraw/zinc/24/50/57/1180245057.db2.gz VKFYTACQJYQUIA-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001716482951 1180245059 /nfs/dbraw/zinc/24/50/59/1180245059.db2.gz VKFYTACQJYQUIA-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001716520323 1180264009 /nfs/dbraw/zinc/26/40/09/1180264009.db2.gz KUVNNLMHZIBHIO-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001716549962 1180280788 /nfs/dbraw/zinc/28/07/88/1180280788.db2.gz NONJRLUZQTUXEX-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001716632003 1180315877 /nfs/dbraw/zinc/31/58/77/1180315877.db2.gz SIYRBTSGSGYMOE-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001716789923 1180415720 /nfs/dbraw/zinc/41/57/20/1180415720.db2.gz KFHLELGJKMVRLF-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001716899282 1180459244 /nfs/dbraw/zinc/45/92/44/1180459244.db2.gz CROHKSSJSQDINC-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001716899282 1180459251 /nfs/dbraw/zinc/45/92/51/1180459251.db2.gz CROHKSSJSQDINC-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001716899282 1180459254 /nfs/dbraw/zinc/45/92/54/1180459254.db2.gz CROHKSSJSQDINC-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001717109411 1180533108 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CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717472729 1180692238 /nfs/dbraw/zinc/69/22/38/1180692238.db2.gz QNHLLPMUQLAWJK-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001717803492 1180863632 /nfs/dbraw/zinc/86/36/32/1180863632.db2.gz YPTYTMYOJKFIDS-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297258 1181533739 /nfs/dbraw/zinc/53/37/39/1181533739.db2.gz FMPUBMRAZYPZSM-CVEARBPZSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001723742196 1181599276 /nfs/dbraw/zinc/59/92/76/1181599276.db2.gz VTEKQTALNPGEPM-AWEZNQCLSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001723742196 1181599282 /nfs/dbraw/zinc/59/92/82/1181599282.db2.gz VTEKQTALNPGEPM-AWEZNQCLSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655835 1181716871 /nfs/dbraw/zinc/71/68/71/1181716871.db2.gz MTXZWNMETXOYFV-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C=C(C)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001724759412 1181741418 /nfs/dbraw/zinc/74/14/18/1181741418.db2.gz MIJYTYUJUFNNLJ-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)CCc1c[nH]cn1 ZINC001724851934 1181775218 /nfs/dbraw/zinc/77/52/18/1181775218.db2.gz OPXBCCWJSNWTDQ-UHFFFAOYSA-N 2 1 278.400 1.699 10 30 CDEEMP CC#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001725337308 1181965598 /nfs/dbraw/zinc/96/55/98/1181965598.db2.gz PDIMEBWBWITVGP-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001725497146 1182025287 /nfs/dbraw/zinc/02/52/87/1182025287.db2.gz VPXMJDGEUOUUPD-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001731492650 1182419420 /nfs/dbraw/zinc/41/94/20/1182419420.db2.gz DJYBYKQSGKGCKC-IXDOHACOSA-N 2 1 299.418 1.549 10 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10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001569873761 1170023595 /nfs/dbraw/zinc/02/35/95/1170023595.db2.gz SVTIUCORKJRYQG-OWCLPIDISA-N 2 1 291.439 1.437 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001569873761 1170023600 /nfs/dbraw/zinc/02/36/00/1170023600.db2.gz SVTIUCORKJRYQG-OWCLPIDISA-N 2 1 291.439 1.437 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001569873761 1170023605 /nfs/dbraw/zinc/02/36/05/1170023605.db2.gz SVTIUCORKJRYQG-OWCLPIDISA-N 2 1 291.439 1.437 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001570192701 1170106242 /nfs/dbraw/zinc/10/62/42/1170106242.db2.gz OZJPICKYZWAFHY-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001570192701 1170106247 /nfs/dbraw/zinc/10/62/47/1170106247.db2.gz OZJPICKYZWAFHY-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001570192701 1170106251 /nfs/dbraw/zinc/10/62/51/1170106251.db2.gz OZJPICKYZWAFHY-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001570804741 1170282722 /nfs/dbraw/zinc/28/27/22/1170282722.db2.gz URQNQVCWGZMHGQ-HNNXBMFYSA-N 2 1 291.439 1.370 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570815677 1170286330 /nfs/dbraw/zinc/28/63/30/1170286330.db2.gz IBHFUDVEKXLUEE-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001570822984 1170288047 /nfs/dbraw/zinc/28/80/47/1170288047.db2.gz OYWXRVQHZJZHSU-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001571562919 1170478563 /nfs/dbraw/zinc/47/85/63/1170478563.db2.gz YJIUMPZTPSOYLU-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CC1 ZINC001666563266 1173152221 /nfs/dbraw/zinc/15/22/21/1173152221.db2.gz KTDIHCJQTNZAFE-ZBFHGGJFSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CC1 ZINC001666563266 1173152231 /nfs/dbraw/zinc/15/22/31/1173152231.db2.gz KTDIHCJQTNZAFE-ZBFHGGJFSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001669293412 1173531593 /nfs/dbraw/zinc/53/15/93/1173531593.db2.gz MDSRATMWRDBRLE-MGPQQGTHSA-N 2 1 267.417 1.387 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001673491738 1173864086 /nfs/dbraw/zinc/86/40/86/1173864086.db2.gz QYSYBMBDGCXDIZ-UHFFFAOYSA-N 2 1 293.455 1.666 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001690616110 1175523343 /nfs/dbraw/zinc/52/33/43/1175523343.db2.gz BVVZPOTVOFFRCY-TZMCWYRMSA-N 2 1 290.411 1.424 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691978984 1175661324 /nfs/dbraw/zinc/66/13/24/1175661324.db2.gz BWNHUAWVCLIFDQ-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001691978984 1175661330 /nfs/dbraw/zinc/66/13/30/1175661330.db2.gz BWNHUAWVCLIFDQ-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001691978984 1175661334 /nfs/dbraw/zinc/66/13/34/1175661334.db2.gz BWNHUAWVCLIFDQ-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698883815 1175975709 /nfs/dbraw/zinc/97/57/09/1175975709.db2.gz GEQOUJZVVPKQKU-HOTGVXAUSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001698899115 1175980113 /nfs/dbraw/zinc/98/01/13/1175980113.db2.gz OZUSBXGCIFHMKW-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001699474064 1176433041 /nfs/dbraw/zinc/43/30/41/1176433041.db2.gz IGNUXLQQAVTYKL-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001699474064 1176433045 /nfs/dbraw/zinc/43/30/45/1176433045.db2.gz IGNUXLQQAVTYKL-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001699474064 1176433047 /nfs/dbraw/zinc/43/30/47/1176433047.db2.gz IGNUXLQQAVTYKL-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001700130290 1176761768 /nfs/dbraw/zinc/76/17/68/1176761768.db2.gz FMMRURSJBGRPFF-OAHLLOKOSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001700194218 1176793052 /nfs/dbraw/zinc/79/30/52/1176793052.db2.gz MFBGYFRDZWVJGL-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700480564 1176970474 /nfs/dbraw/zinc/97/04/74/1176970474.db2.gz KVQDQNBXWRYSJU-AWEZNQCLSA-N 2 1 289.423 1.984 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001707092262 1177949037 /nfs/dbraw/zinc/94/90/37/1177949037.db2.gz IFVSLGSUYBHMQJ-HDJSIYSDSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001707462470 1178059248 /nfs/dbraw/zinc/05/92/48/1178059248.db2.gz QOOGUHPSRUOVGA-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001707462470 1178059257 /nfs/dbraw/zinc/05/92/57/1178059257.db2.gz QOOGUHPSRUOVGA-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001707462470 1178059268 /nfs/dbraw/zinc/05/92/68/1178059268.db2.gz QOOGUHPSRUOVGA-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713172804 1178412763 /nfs/dbraw/zinc/41/27/63/1178412763.db2.gz HDGVQJQLLMFJQT-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001713520673 1178622485 /nfs/dbraw/zinc/62/24/85/1178622485.db2.gz ZEDPUFFFSCDPHZ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713520673 1178622488 /nfs/dbraw/zinc/62/24/88/1178622488.db2.gz ZEDPUFFFSCDPHZ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713520673 1178622491 /nfs/dbraw/zinc/62/24/91/1178622491.db2.gz ZEDPUFFFSCDPHZ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001713694667 1178713712 /nfs/dbraw/zinc/71/37/12/1178713712.db2.gz RVAANOIPOMBOIY-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001713694667 1178713717 /nfs/dbraw/zinc/71/37/17/1178713717.db2.gz RVAANOIPOMBOIY-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001713694667 1178713722 /nfs/dbraw/zinc/71/37/22/1178713722.db2.gz RVAANOIPOMBOIY-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714050087 1178946235 /nfs/dbraw/zinc/94/62/35/1178946235.db2.gz MYTYSUAKVUUUFI-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714050087 1178946239 /nfs/dbraw/zinc/94/62/39/1178946239.db2.gz MYTYSUAKVUUUFI-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714050087 1178946243 /nfs/dbraw/zinc/94/62/43/1178946243.db2.gz MYTYSUAKVUUUFI-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)CCCn1cc[nH+]c1C ZINC001714494061 1179169674 /nfs/dbraw/zinc/16/96/74/1179169674.db2.gz OMFHZDLNWFULJX-CYBMUJFWSA-N 2 1 276.384 1.089 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC(=C)C)CC1 ZINC001714573166 1179227842 /nfs/dbraw/zinc/22/78/42/1179227842.db2.gz VAELPIKMQGDELR-UHFFFAOYSA-N 2 1 291.439 1.346 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001714623555 1179273989 /nfs/dbraw/zinc/27/39/89/1179273989.db2.gz KOVMOCGZROSSNJ-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714862068 1179426689 /nfs/dbraw/zinc/42/66/89/1179426689.db2.gz FVBFSTNILSCNTA-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714862068 1179426695 /nfs/dbraw/zinc/42/66/95/1179426695.db2.gz FVBFSTNILSCNTA-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714862068 1179426699 /nfs/dbraw/zinc/42/66/99/1179426699.db2.gz FVBFSTNILSCNTA-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715081572 1179544355 /nfs/dbraw/zinc/54/43/55/1179544355.db2.gz OBMVLCKIJMFCAC-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001716032402 1180008281 /nfs/dbraw/zinc/00/82/81/1180008281.db2.gz LWJSLJCORFGSRT-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001716032402 1180008288 /nfs/dbraw/zinc/00/82/88/1180008288.db2.gz LWJSLJCORFGSRT-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001716145899 1180070855 /nfs/dbraw/zinc/07/08/55/1180070855.db2.gz UWUDLCVAEMZUGE-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001716414867 1180194151 /nfs/dbraw/zinc/19/41/51/1180194151.db2.gz WCZCOTFUHNRUFM-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001716874274 1180449296 /nfs/dbraw/zinc/44/92/96/1180449296.db2.gz KSLQMEIBVYEQGJ-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001716895532 1180457131 /nfs/dbraw/zinc/45/71/31/1180457131.db2.gz JYKYWDNBGVHYTP-WBVHZDCISA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001716895532 1180457133 /nfs/dbraw/zinc/45/71/33/1180457133.db2.gz JYKYWDNBGVHYTP-WBVHZDCISA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001716895532 1180457135 /nfs/dbraw/zinc/45/71/35/1180457135.db2.gz JYKYWDNBGVHYTP-WBVHZDCISA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001717236279 1180586284 /nfs/dbraw/zinc/58/62/84/1180586284.db2.gz QECCMKPTDWYNEV-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001717375350 1180636643 /nfs/dbraw/zinc/63/66/43/1180636643.db2.gz XAMXONZSTIHGCB-GJZGRUSLSA-N 2 1 290.411 1.943 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717487617 1180703879 /nfs/dbraw/zinc/70/38/79/1180703879.db2.gz UPIYBWBWQIBHNZ-UONOGXRCSA-N 2 1 269.433 1.585 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001717972240 1180952892 /nfs/dbraw/zinc/95/28/92/1180952892.db2.gz CHEIXXUKSZCMAV-UONOGXRCSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001718033208 1180976297 /nfs/dbraw/zinc/97/62/97/1180976297.db2.gz BZMVTZLMKBVNLD-GASCZTMLSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001718033208 1180976305 /nfs/dbraw/zinc/97/63/05/1180976305.db2.gz BZMVTZLMKBVNLD-GASCZTMLSA-N 2 1 289.423 1.241 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001723303035 1181535061 /nfs/dbraw/zinc/53/50/61/1181535061.db2.gz WKMRYQHETANJEX-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001723349748 1181542523 /nfs/dbraw/zinc/54/25/23/1181542523.db2.gz FJHPJHTVOYKMGH-RDJZCZTQSA-N 2 1 291.439 1.533 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001724077845 1181633639 /nfs/dbraw/zinc/63/36/39/1181633639.db2.gz RNANDKOLBWHRQZ-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC1 ZINC001725172658 1181903970 /nfs/dbraw/zinc/90/39/70/1181903970.db2.gz QBHFHPAANZWQRC-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC1 ZINC001725172658 1181903978 /nfs/dbraw/zinc/90/39/78/1181903978.db2.gz QBHFHPAANZWQRC-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC1CCC1 ZINC001725172658 1181903981 /nfs/dbraw/zinc/90/39/81/1181903981.db2.gz QBHFHPAANZWQRC-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC1CCC1 ZINC001725172658 1181903992 /nfs/dbraw/zinc/90/39/92/1181903992.db2.gz QBHFHPAANZWQRC-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731338938 1182328888 /nfs/dbraw/zinc/32/88/88/1182328888.db2.gz LQSSTQUMTOXMKF-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001731530207 1182437684 /nfs/dbraw/zinc/43/76/84/1182437684.db2.gz NYOOAIAUVGSWQR-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731826047 1182611467 /nfs/dbraw/zinc/61/14/67/1182611467.db2.gz WAEILYZFHJZCLF-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731826047 1182611470 /nfs/dbraw/zinc/61/14/70/1182611470.db2.gz WAEILYZFHJZCLF-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731828827 1182614277 /nfs/dbraw/zinc/61/42/77/1182614277.db2.gz XVVHUPAVUYUHJH-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731828827 1182614280 /nfs/dbraw/zinc/61/42/80/1182614280.db2.gz XVVHUPAVUYUHJH-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001732184940 1182838631 /nfs/dbraw/zinc/83/86/31/1182838631.db2.gz CCYDVNPYLRVLSK-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001732184940 1182838641 /nfs/dbraw/zinc/83/86/41/1182838641.db2.gz CCYDVNPYLRVLSK-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001732185737 1182840782 /nfs/dbraw/zinc/84/07/82/1182840782.db2.gz PLKLCJXWXNOHMQ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001732185737 1182840791 /nfs/dbraw/zinc/84/07/91/1182840791.db2.gz PLKLCJXWXNOHMQ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001732185737 1182840799 /nfs/dbraw/zinc/84/07/99/1182840799.db2.gz PLKLCJXWXNOHMQ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732344408 1182918085 /nfs/dbraw/zinc/91/80/85/1182918085.db2.gz WJNMDEFLOJYSQI-KGLIPLIRSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001732754315 1183109836 /nfs/dbraw/zinc/10/98/36/1183109836.db2.gz LONXVDLAFVIEMB-ZBFHGGJFSA-N 2 1 289.423 1.960 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001733223856 1183352250 /nfs/dbraw/zinc/35/22/50/1183352250.db2.gz PFXTZRZIDLWQMH-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733364164 1183410641 /nfs/dbraw/zinc/41/06/41/1183410641.db2.gz ZNYMWWBGUVHFBC-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001733464498 1183438672 /nfs/dbraw/zinc/43/86/72/1183438672.db2.gz ROMXIBFKVWSMRX-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001733464498 1183438676 /nfs/dbraw/zinc/43/86/76/1183438676.db2.gz ROMXIBFKVWSMRX-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001733464498 1183438679 /nfs/dbraw/zinc/43/86/79/1183438679.db2.gz ROMXIBFKVWSMRX-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733605960 1183477349 /nfs/dbraw/zinc/47/73/49/1183477349.db2.gz GICPVGBHEMGJSG-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734061246 1183643022 /nfs/dbraw/zinc/64/30/22/1183643022.db2.gz YMMSRHBKPLWHIQ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001734295117 1183717003 /nfs/dbraw/zinc/71/70/03/1183717003.db2.gz JFSKYFRIUJKMQH-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001734554567 1183823990 /nfs/dbraw/zinc/82/39/90/1183823990.db2.gz NRLDJPRAWPAKGR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001734554567 1183823996 /nfs/dbraw/zinc/82/39/96/1183823996.db2.gz NRLDJPRAWPAKGR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001734554567 1183823999 /nfs/dbraw/zinc/82/39/99/1183823999.db2.gz NRLDJPRAWPAKGR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001734576085 1183831592 /nfs/dbraw/zinc/83/15/92/1183831592.db2.gz LHPSNVROVMRHSB-STQMWFEESA-N 2 1 267.417 1.245 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC1=CCCC1 ZINC000133894519 751659196 /nfs/dbraw/zinc/65/91/96/751659196.db2.gz LBMFHHXYXVFCEK-CQSZACIVSA-N 2 1 264.417 1.875 10 30 CDEEMP C[N@@H+](CCNC(=O)C#CC1CC[NH2+]CC1)C1CCCCC1 ZINC000852859476 749452739 /nfs/dbraw/zinc/45/27/39/749452739.db2.gz VEMBNEPXGVKLJZ-UHFFFAOYSA-N 2 1 291.439 1.370 10 30 CDEEMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000847008500 749633773 /nfs/dbraw/zinc/63/37/73/749633773.db2.gz KRMKKXSWMCRODP-KRWDZBQOSA-N 2 1 298.390 1.890 10 30 CDEEMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@H](O)c1cccc(C#N)c1 ZINC000847008500 749633782 /nfs/dbraw/zinc/63/37/82/749633782.db2.gz KRMKKXSWMCRODP-KRWDZBQOSA-N 2 1 298.390 1.890 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CCC[NH2+]1 ZINC000877451783 750431993 /nfs/dbraw/zinc/43/19/93/750431993.db2.gz QFQLSAWEYGCRNS-OFQRWUPVSA-N 2 1 277.412 1.380 10 30 CDEEMP C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000849001880 751319074 /nfs/dbraw/zinc/31/90/74/751319074.db2.gz OVYUNUSCKRBADQ-ZDUSSCGKSA-N 2 1 294.399 1.055 10 30 CDEEMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CCCCC1 ZINC000933266633 752443382 /nfs/dbraw/zinc/44/33/82/752443382.db2.gz XKJPTOPEDSGHHZ-OAHLLOKOSA-N 2 1 264.413 1.757 10 30 CDEEMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CCCCC1 ZINC000933266633 752443391 /nfs/dbraw/zinc/44/33/91/752443391.db2.gz XKJPTOPEDSGHHZ-OAHLLOKOSA-N 2 1 264.413 1.757 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(=C)C ZINC000930243383 752729284 /nfs/dbraw/zinc/72/92/84/752729284.db2.gz DJHFMBWYPDGSBI-CQSZACIVSA-N 2 1 267.417 1.507 10 30 CDEEMP C=C(C)C[NH+](C)CC(=O)NC[C@@H](C)[N@H+](C)CC(=C)C ZINC000930243383 752729301 /nfs/dbraw/zinc/72/93/01/752729301.db2.gz DJHFMBWYPDGSBI-CQSZACIVSA-N 2 1 267.417 1.507 10 30 CDEEMP C=C(C)C[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](C)CC(=C)C ZINC000930243383 752729308 /nfs/dbraw/zinc/72/93/08/752729308.db2.gz DJHFMBWYPDGSBI-CQSZACIVSA-N 2 1 267.417 1.507 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001691739870 1166851402 /nfs/dbraw/zinc/85/14/02/1166851402.db2.gz ZGCCGULPXRXLCP-UHFFFAOYSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001691739870 1166851410 /nfs/dbraw/zinc/85/14/10/1166851410.db2.gz ZGCCGULPXRXLCP-UHFFFAOYSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CCOCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001566634919 1168362912 /nfs/dbraw/zinc/36/29/12/1168362912.db2.gz MFPBFQNONUOWFG-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566634919 1168362918 /nfs/dbraw/zinc/36/29/18/1168362918.db2.gz MFPBFQNONUOWFG-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566634919 1168362924 /nfs/dbraw/zinc/36/29/24/1168362924.db2.gz MFPBFQNONUOWFG-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566739714 1168405562 /nfs/dbraw/zinc/40/55/62/1168405562.db2.gz HTVFRWOWFAYIHV-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566739714 1168405568 /nfs/dbraw/zinc/40/55/68/1168405568.db2.gz HTVFRWOWFAYIHV-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001566739714 1168405576 /nfs/dbraw/zinc/40/55/76/1168405576.db2.gz HTVFRWOWFAYIHV-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001566742728 1168406204 /nfs/dbraw/zinc/40/62/04/1168406204.db2.gz BMSNLCDDDCZFBN-HNNXBMFYSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001566864260 1168449475 /nfs/dbraw/zinc/44/94/75/1168449475.db2.gz YZZHJKQNGDRRNL-IYBDPMFKSA-N 2 1 287.407 1.541 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001566864260 1168449478 /nfs/dbraw/zinc/44/94/78/1168449478.db2.gz YZZHJKQNGDRRNL-IYBDPMFKSA-N 2 1 287.407 1.541 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567309262 1168671329 /nfs/dbraw/zinc/67/13/29/1168671329.db2.gz VHQFGOAVZKRPFM-UHFFFAOYSA-N 2 1 289.423 1.986 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001567329134 1168684567 /nfs/dbraw/zinc/68/45/67/1168684567.db2.gz VPSUKNWCLLXPDB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001567329134 1168684570 /nfs/dbraw/zinc/68/45/70/1168684570.db2.gz VPSUKNWCLLXPDB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001567329134 1168684574 /nfs/dbraw/zinc/68/45/74/1168684574.db2.gz VPSUKNWCLLXPDB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001266532049 895251095 /nfs/dbraw/zinc/25/10/95/895251095.db2.gz RYGTUSZLMMXTII-ILXRZTDVSA-N 2 1 295.402 1.023 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@H](F)CC)C1 ZINC001266532049 895251104 /nfs/dbraw/zinc/25/11/04/895251104.db2.gz RYGTUSZLMMXTII-ILXRZTDVSA-N 2 1 295.402 1.023 10 30 CDEEMP 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VJOUCAGUEMOMPN-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001267585414 898565667 /nfs/dbraw/zinc/56/56/67/898565667.db2.gz VJOUCAGUEMOMPN-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267732490 899429415 /nfs/dbraw/zinc/42/94/15/899429415.db2.gz RLVXSSQVCKLOQX-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567686863 1168917286 /nfs/dbraw/zinc/91/72/86/1168917286.db2.gz RFOSOLWGFIECQT-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567686863 1168917290 /nfs/dbraw/zinc/91/72/90/1168917290.db2.gz RFOSOLWGFIECQT-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001567686863 1168917294 /nfs/dbraw/zinc/91/72/94/1168917294.db2.gz RFOSOLWGFIECQT-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481438196 900666771 /nfs/dbraw/zinc/66/67/71/900666771.db2.gz MEUSOLACTPLNRY-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481438196 900666781 /nfs/dbraw/zinc/66/67/81/900666781.db2.gz MEUSOLACTPLNRY-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481438196 900666787 /nfs/dbraw/zinc/66/67/87/900666787.db2.gz MEUSOLACTPLNRY-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl ZINC001268066884 901088606 /nfs/dbraw/zinc/08/86/06/901088606.db2.gz CQIBTEAARGGUSB-RNUUNTDPSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/Cl ZINC001268066884 901088615 /nfs/dbraw/zinc/08/86/15/901088615.db2.gz CQIBTEAARGGUSB-RNUUNTDPSA-N 2 1 297.830 1.273 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001481703560 901845177 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CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269293707 903668562 /nfs/dbraw/zinc/66/85/62/903668562.db2.gz ZVBLZKMCCAQDKA-LSDHHAIUSA-N 2 1 279.428 1.129 10 30 CDEEMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001269453914 903820586 /nfs/dbraw/zinc/82/05/86/903820586.db2.gz IHNYGUHGEAVFOT-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001269943075 904224825 /nfs/dbraw/zinc/22/48/25/904224825.db2.gz HUDBUNZLSWHODS-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH+]1CCC(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001270151059 904396823 /nfs/dbraw/zinc/39/68/23/904396823.db2.gz KRJDVXNGOUXAPV-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001270624024 904830472 /nfs/dbraw/zinc/83/04/72/904830472.db2.gz MLEXOBQUJCCWMX-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001270624024 904830437 /nfs/dbraw/zinc/83/04/37/904830437.db2.gz MLEXOBQUJCCWMX-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001270624024 904830454 /nfs/dbraw/zinc/83/04/54/904830454.db2.gz MLEXOBQUJCCWMX-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001270745261 905009623 /nfs/dbraw/zinc/00/96/23/905009623.db2.gz XUDBLFIIEXXYGN-DOTOQJQBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001482341385 905116509 /nfs/dbraw/zinc/11/65/09/905116509.db2.gz BRJYTBVDWZHLAK-ZDUSSCGKSA-N 2 1 276.384 1.041 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001271286191 906229019 /nfs/dbraw/zinc/22/90/19/906229019.db2.gz QTWVAIGCVXJDGC-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001482698016 908294029 /nfs/dbraw/zinc/29/40/29/908294029.db2.gz IPHYZDOJESYUOF-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001483050435 909046279 /nfs/dbraw/zinc/04/62/79/909046279.db2.gz WJCYYAFHRBVQNY-FYCOFBDGSA-N 2 1 291.439 1.394 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001483067499 909251131 /nfs/dbraw/zinc/25/11/31/909251131.db2.gz DUERVGMFRHSQKF-RYIMYRPNSA-N 2 1 277.412 1.451 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001483339772 910937781 /nfs/dbraw/zinc/93/77/81/910937781.db2.gz SSZGJNOXJGNTJB-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484756965 916148176 /nfs/dbraw/zinc/14/81/76/916148176.db2.gz HSDFTZLFTJSDLV-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001484937920 916290162 /nfs/dbraw/zinc/29/01/62/916290162.db2.gz ZAHCKIRPZKXAKS-GJZGRUSLSA-N 2 1 295.471 1.975 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001484997057 916360898 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CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001490270909 927069599 /nfs/dbraw/zinc/06/95/99/927069599.db2.gz XSWVFVYSVLBZEX-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001490711657 927295708 /nfs/dbraw/zinc/29/57/08/927295708.db2.gz ZNZWOJZOAMDWNY-SMDDNHRTSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623700 931912175 /nfs/dbraw/zinc/91/21/75/931912175.db2.gz YMJANDULBKFIAI-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275623700 931912180 /nfs/dbraw/zinc/91/21/80/931912180.db2.gz YMJANDULBKFIAI-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001275623700 931912185 /nfs/dbraw/zinc/91/21/85/931912185.db2.gz YMJANDULBKFIAI-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C[C@H]([NH2+]C[C@H](O)CC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732564 937752030 /nfs/dbraw/zinc/75/20/30/937752030.db2.gz MTSFHWPWQRVBAT-KCQAQPDRSA-N 2 1 265.401 1.504 10 30 CDEEMP C[C@H]([NH2+]C[C@H](O)CC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119732564 937752031 /nfs/dbraw/zinc/75/20/31/937752031.db2.gz MTSFHWPWQRVBAT-KCQAQPDRSA-N 2 1 265.401 1.504 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1C[C@@H]1c1ccccc1 ZINC000303792254 935043705 /nfs/dbraw/zinc/04/37/05/935043705.db2.gz YIPZTCBNKZGBCY-BZUAXINKSA-N 2 1 286.423 1.931 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001277007850 941808126 /nfs/dbraw/zinc/80/81/26/941808126.db2.gz HLEPRIOQLUVXND-BZUAXINKSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001282431590 942710717 /nfs/dbraw/zinc/71/07/17/942710717.db2.gz QMONSMQQIJBLIW-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001282431590 942710720 /nfs/dbraw/zinc/71/07/20/942710720.db2.gz QMONSMQQIJBLIW-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282461575 942717241 /nfs/dbraw/zinc/71/72/41/942717241.db2.gz NMNPQIQLBAZXEU-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001282461575 942717245 /nfs/dbraw/zinc/71/72/45/942717245.db2.gz NMNPQIQLBAZXEU-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282461575 942717249 /nfs/dbraw/zinc/71/72/49/942717249.db2.gz NMNPQIQLBAZXEU-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001282811246 942754752 /nfs/dbraw/zinc/75/47/52/942754752.db2.gz NJIGKGHRNVVIIW-ZDUSSCGKSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC ZINC001283617398 942948662 /nfs/dbraw/zinc/94/86/62/942948662.db2.gz IEFUZPAHEHZHPV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC ZINC001283617398 942948665 /nfs/dbraw/zinc/94/86/65/942948665.db2.gz IEFUZPAHEHZHPV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001284345888 943152077 /nfs/dbraw/zinc/15/20/77/943152077.db2.gz CNLKFFDBZIHOTC-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157401 944091618 /nfs/dbraw/zinc/09/16/18/944091618.db2.gz FIVDEIUAKIOTHG-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001265491761 944407661 /nfs/dbraw/zinc/40/76/61/944407661.db2.gz BXBMLAZOZRRDTH-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265947603 944589803 /nfs/dbraw/zinc/58/98/03/944589803.db2.gz QSGAZIYFCYAKIU-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265987143 944616090 /nfs/dbraw/zinc/61/60/90/944616090.db2.gz UIXSZBLEGSRXOE-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266154840 944720814 /nfs/dbraw/zinc/72/08/14/944720814.db2.gz HEDIUFLLGNSCDS-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCOCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001278422493 947874704 /nfs/dbraw/zinc/87/47/04/947874704.db2.gz DUJFANJUILAXRG-GJZGRUSLSA-N 2 1 297.443 1.108 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001479846601 971451166 /nfs/dbraw/zinc/45/11/66/971451166.db2.gz MOAICNQISBFRBH-UHFFFAOYSA-N 2 1 293.455 1.877 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001480062628 971561298 /nfs/dbraw/zinc/56/12/98/971561298.db2.gz LLHNQHPEKPIKNJ-RDJZCZTQSA-N 2 1 291.439 1.533 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480599964 971801895 /nfs/dbraw/zinc/80/18/95/971801895.db2.gz PZNKUAWMQYKKCV-HOCLYGCPSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001493233224 971991947 /nfs/dbraw/zinc/99/19/47/971991947.db2.gz KFSYKSCNTHDUKQ-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001316656692 954531672 /nfs/dbraw/zinc/53/16/72/954531672.db2.gz ZKUJIYRKXPTLTH-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491806295 955472651 /nfs/dbraw/zinc/47/26/51/955472651.db2.gz YGNXEFONAAHACT-RBSFLKMASA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317193869 955813719 /nfs/dbraw/zinc/81/37/19/955813719.db2.gz OPNZKWVHDKBGFV-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001329763934 956102917 /nfs/dbraw/zinc/10/29/17/956102917.db2.gz BPDIECFNDVLZLB-LSDHHAIUSA-N 2 1 281.444 1.587 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001329951495 956198185 /nfs/dbraw/zinc/19/81/85/956198185.db2.gz HGCNIZGDEIRKKG-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001329951495 956198193 /nfs/dbraw/zinc/19/81/93/956198193.db2.gz HGCNIZGDEIRKKG-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001330475098 956445336 /nfs/dbraw/zinc/44/53/36/956445336.db2.gz LXNPJVVKZBEFPE-XHSDSOJGSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001330475098 956445341 /nfs/dbraw/zinc/44/53/41/956445341.db2.gz LXNPJVVKZBEFPE-XHSDSOJGSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001330475098 956445348 /nfs/dbraw/zinc/44/53/48/956445348.db2.gz LXNPJVVKZBEFPE-XHSDSOJGSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480727147 956648371 /nfs/dbraw/zinc/64/83/71/956648371.db2.gz QMANETAAXXJDHN-LSDHHAIUSA-N 2 1 299.434 1.775 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317134721 957297188 /nfs/dbraw/zinc/29/71/88/957297188.db2.gz CBCDCEQOHSXOJS-CQSZACIVSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317166349 957316321 /nfs/dbraw/zinc/31/63/21/957316321.db2.gz XRGZOMHBOGZZKY-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317183727 957328494 /nfs/dbraw/zinc/32/84/94/957328494.db2.gz IPOHMPAVNQGVSV-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332197611 957475379 /nfs/dbraw/zinc/47/53/79/957475379.db2.gz DHLUKRFWFDNUNJ-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317855970 957697396 /nfs/dbraw/zinc/69/73/96/957697396.db2.gz ZPMARSSHYSZURB-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001332859001 957891756 /nfs/dbraw/zinc/89/17/56/957891756.db2.gz VSKXOHFLSDQIAJ-CABCVRRESA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001333075162 958057114 /nfs/dbraw/zinc/05/71/14/958057114.db2.gz HCOYNUJDPSNPDU-GPANFISMSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001320176007 958988025 /nfs/dbraw/zinc/98/80/25/958988025.db2.gz XECIAZZZTLVXRW-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320548171 959231809 /nfs/dbraw/zinc/23/18/09/959231809.db2.gz JPANIHGVKFFCJP-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001321897662 960010037 /nfs/dbraw/zinc/01/00/37/960010037.db2.gz OORDQQUXHANDIP-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001437306745 962796574 /nfs/dbraw/zinc/79/65/74/962796574.db2.gz HZRJRFXOGUVZQN-ZIAGYGMSSA-N 2 1 299.846 1.661 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)c2csc([C@@H](C)[NH3+])n2)CC1 ZINC001341697172 963515529 /nfs/dbraw/zinc/51/55/29/963515529.db2.gz PHZNYWILDILLBY-SNVBAGLBSA-N 2 1 294.424 1.543 10 30 CDEEMP N#C[C@H]1CC[C@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001460775774 969541670 /nfs/dbraw/zinc/54/16/70/969541670.db2.gz GJPWZTUBKMSWOV-BBRMVZONSA-N 2 1 277.412 1.912 10 30 CDEEMP C=CCCC[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001357981629 969675886 /nfs/dbraw/zinc/67/58/86/969675886.db2.gz QTUONFSULVQPOG-CYBMUJFWSA-N 2 1 267.417 1.613 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001495915975 972701574 /nfs/dbraw/zinc/70/15/74/972701574.db2.gz ZDNHGEXCAKCLQM-ZIAGYGMSSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=C)Cl ZINC001496080756 972786857 /nfs/dbraw/zinc/78/68/57/972786857.db2.gz RMAAKXPOUVIVIC-KBPBESRZSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=C)Cl ZINC001496080756 972786869 /nfs/dbraw/zinc/78/68/69/972786869.db2.gz RMAAKXPOUVIVIC-KBPBESRZSA-N 2 1 297.830 1.273 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001496371181 972900423 /nfs/dbraw/zinc/90/04/23/972900423.db2.gz YVDXHQNFUFBTNL-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001569683988 1169965729 /nfs/dbraw/zinc/96/57/29/1169965729.db2.gz VQACYJQXZDBDRG-NVXWUHKLSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001498282606 973806160 /nfs/dbraw/zinc/80/61/60/973806160.db2.gz KJCJAVNBLKUNBA-DZGCQCFKSA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001498463226 973931457 /nfs/dbraw/zinc/93/14/57/973931457.db2.gz CVDGXPFJZRGDMT-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445498 974881985 /nfs/dbraw/zinc/88/19/85/974881985.db2.gz WTSLMGAISQNDEY-LSDHHAIUSA-N 2 1 279.428 1.129 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001403378837 976922071 /nfs/dbraw/zinc/92/20/71/976922071.db2.gz WCTKFSNQTGSBTK-JHJVBQTASA-N 2 1 287.835 1.564 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001674157021 1173920712 /nfs/dbraw/zinc/92/07/12/1173920712.db2.gz YRIFCVOCMFWSAN-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001674157021 1173920717 /nfs/dbraw/zinc/92/07/17/1173920717.db2.gz YRIFCVOCMFWSAN-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001674157021 1173920722 /nfs/dbraw/zinc/92/07/22/1173920722.db2.gz YRIFCVOCMFWSAN-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001676817445 1174276495 /nfs/dbraw/zinc/27/64/95/1174276495.db2.gz YHPJZTKPYATLRX-ZBFHGGJFSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001570445570 1170159360 /nfs/dbraw/zinc/15/93/60/1170159360.db2.gz NPXFQTYWESHIGC-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001570445570 1170159366 /nfs/dbraw/zinc/15/93/66/1170159366.db2.gz NPXFQTYWESHIGC-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001570445570 1170159370 /nfs/dbraw/zinc/15/93/70/1170159370.db2.gz NPXFQTYWESHIGC-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001571326385 1170366068 /nfs/dbraw/zinc/36/60/68/1170366068.db2.gz UKHNZEQVTYVBLD-ZDUSSCGKSA-N 2 1 278.400 1.642 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656097933 1171764198 /nfs/dbraw/zinc/76/41/98/1171764198.db2.gz OFRCBFMSBCUCQU-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600718879 342244447 /nfs/dbraw/zinc/24/44/47/342244447.db2.gz ATZNYKWBAOQLPU-HNNXBMFYSA-N 2 1 277.412 1.671 10 30 CDEEMP N#CCCCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595865688 343175715 /nfs/dbraw/zinc/17/57/15/343175715.db2.gz IYTACDHHEOHMRR-CQSZACIVSA-N 2 1 251.374 1.211 10 30 CDEEMP N#CCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595865688 343175717 /nfs/dbraw/zinc/17/57/17/343175717.db2.gz IYTACDHHEOHMRR-CQSZACIVSA-N 2 1 251.374 1.211 10 30 CDEEMP Cc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C#N)cn1 ZINC000596364163 343311055 /nfs/dbraw/zinc/31/10/55/343311055.db2.gz YHZKMBWZCZPRSZ-AWEZNQCLSA-N 2 1 289.427 1.368 10 30 CDEEMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C#N)cn1 ZINC000596364163 343311057 /nfs/dbraw/zinc/31/10/57/343311057.db2.gz YHZKMBWZCZPRSZ-AWEZNQCLSA-N 2 1 289.427 1.368 10 30 CDEEMP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000091593937 342405916 /nfs/dbraw/zinc/40/59/16/342405916.db2.gz MSJWHFHHKBUZPZ-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC1CCCCC1 ZINC000072272392 356717278 /nfs/dbraw/zinc/71/72/78/356717278.db2.gz VHLRPNJHBAXGJZ-UHFFFAOYSA-N 2 1 282.432 1.193 10 30 CDEEMP CCCCN(C)C(NC[C@H]1CCC[N@H+]1CCOC)=[NH+]C ZINC000073112786 360271999 /nfs/dbraw/zinc/27/19/99/360271999.db2.gz SWTSUGOXDYQMSH-CQSZACIVSA-N 2 1 284.448 1.405 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662719001 1172585829 /nfs/dbraw/zinc/58/58/29/1172585829.db2.gz ZFIKFYGJMUISRG-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748542 413428771 /nfs/dbraw/zinc/42/87/71/413428771.db2.gz AVFTZSCGUMMSBQ-GDBMZVCRSA-N 2 1 279.428 1.485 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043689140 175096160 /nfs/dbraw/zinc/09/61/60/175096160.db2.gz NPBQOOBFNRPDID-LSDHHAIUSA-N 2 1 276.405 1.812 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043689140 175096161 /nfs/dbraw/zinc/09/61/61/175096161.db2.gz NPBQOOBFNRPDID-LSDHHAIUSA-N 2 1 276.405 1.812 10 30 CDEEMP CCN[C@@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311108 175356179 /nfs/dbraw/zinc/35/61/79/175356179.db2.gz QATKKOMIUXBYCX-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP CC[NH+]1CCC([N@H+](C)CCCC[C@@](C)(N)C#N)CC1 ZINC000045317174 175358534 /nfs/dbraw/zinc/35/85/34/175358534.db2.gz MDINZDJMNKEVCK-OAHLLOKOSA-N 2 1 266.433 1.814 10 30 CDEEMP CC[NH+]1CCC([N@@H+](C)CCCC[C@@](C)(N)C#N)CC1 ZINC000045317174 175358535 /nfs/dbraw/zinc/35/85/35/175358535.db2.gz MDINZDJMNKEVCK-OAHLLOKOSA-N 2 1 266.433 1.814 10 30 CDEEMP CCN[C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190780 176067924 /nfs/dbraw/zinc/06/79/24/176067924.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 2 1 280.460 1.932 10 30 CDEEMP CCN[C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190780 176067925 /nfs/dbraw/zinc/06/79/25/176067925.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 2 1 280.460 1.932 10 30 CDEEMP CCN[C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190780 176067927 /nfs/dbraw/zinc/06/79/27/176067927.db2.gz URKCNYGKRIEZAJ-HOTGVXAUSA-N 2 1 280.460 1.932 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001667439633 1173267631 /nfs/dbraw/zinc/26/76/31/1173267631.db2.gz DEVTZRUCBANLIM-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001667692814 1173308635 /nfs/dbraw/zinc/30/86/35/1173308635.db2.gz CZMMUVJEMCJAPK-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001671693789 1173703579 /nfs/dbraw/zinc/70/35/79/1173703579.db2.gz NMNSVJNQZHHTJR-KRWDZBQOSA-N 2 1 291.439 1.466 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263090482 330043088 /nfs/dbraw/zinc/04/30/88/330043088.db2.gz ISMJAHUSKFYPPM-VXGBXAGGSA-N 2 1 250.390 1.175 10 30 CDEEMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399511 330255911 /nfs/dbraw/zinc/25/59/11/330255911.db2.gz YZKQZBXGFNYYKO-HOTGVXAUSA-N 2 1 291.439 1.705 10 30 CDEEMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399511 330255912 /nfs/dbraw/zinc/25/59/12/330255912.db2.gz YZKQZBXGFNYYKO-HOTGVXAUSA-N 2 1 291.439 1.705 10 30 CDEEMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399511 330255913 /nfs/dbraw/zinc/25/59/13/330255913.db2.gz YZKQZBXGFNYYKO-HOTGVXAUSA-N 2 1 291.439 1.705 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001270913495 1160229145 /nfs/dbraw/zinc/22/91/45/1160229145.db2.gz JXJWMNDNFSOLDF-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001482605690 1160543236 /nfs/dbraw/zinc/54/32/36/1160543236.db2.gz FEIWSOKIUSOFLW-CYBMUJFWSA-N 2 1 255.406 1.293 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001733899535 1183563276 /nfs/dbraw/zinc/56/32/76/1183563276.db2.gz JILPIKVBQUTOFX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001733899535 1183563278 /nfs/dbraw/zinc/56/32/78/1183563278.db2.gz JILPIKVBQUTOFX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001733899535 1183563280 /nfs/dbraw/zinc/56/32/80/1183563280.db2.gz JILPIKVBQUTOFX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001734326516 1183733428 /nfs/dbraw/zinc/73/34/28/1183733428.db2.gz GVEYSYDOLFAUSX-MELADBBJSA-N 2 1 267.417 1.339 10 30 CDEEMP C[N@H+](CC1CC[NH+](C)CC1)C[C@@](C#N)(NC1CC1)C1CC1 ZINC000069083521 522658468 /nfs/dbraw/zinc/65/84/68/522658468.db2.gz WXWFUTGMZUGGGR-QGZVFWFLSA-N 2 1 290.455 1.684 10 30 CDEEMP C[N@@H+](CC1CC[NH+](C)CC1)C[C@@](C#N)(NC1CC1)C1CC1 ZINC000069083521 522658479 /nfs/dbraw/zinc/65/84/79/522658479.db2.gz WXWFUTGMZUGGGR-QGZVFWFLSA-N 2 1 290.455 1.684 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1F)C1CCOCC1 ZINC000049609341 523205013 /nfs/dbraw/zinc/20/50/13/523205013.db2.gz ZQVXJVZSDNWLRP-UHFFFAOYSA-N 2 1 276.355 1.747 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CCCCO1 ZINC000049609524 523205157 /nfs/dbraw/zinc/20/51/57/523205157.db2.gz KTXHPPNLBQKYFI-QGZVFWFLSA-N 2 1 272.392 1.998 10 30 CDEEMP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)[C@@H]1CCSC1 ZINC000049609007 523291520 /nfs/dbraw/zinc/29/15/20/523291520.db2.gz ABZGIITWFURIPJ-OAHLLOKOSA-N 2 1 260.406 1.934 10 30 CDEEMP COCC[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C1CC1 ZINC000049609708 523747609 /nfs/dbraw/zinc/74/76/09/523747609.db2.gz BURMNDKVFCUATI-UHFFFAOYSA-N 2 1 276.355 1.747 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1 ZINC000049608679 527148749 /nfs/dbraw/zinc/14/87/49/527148749.db2.gz YAAYPZXRRZEYLB-KRWDZBQOSA-N 2 1 272.392 1.734 10 30 CDEEMP C#CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001689056014 1175089060 /nfs/dbraw/zinc/08/90/60/1175089060.db2.gz ORGDXWGQWSUDRJ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001689893733 1175296364 /nfs/dbraw/zinc/29/63/64/1175296364.db2.gz PVSGOUHHKXNRIM-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001689893733 1175296371 /nfs/dbraw/zinc/29/63/71/1175296371.db2.gz PVSGOUHHKXNRIM-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001689893733 1175296376 /nfs/dbraw/zinc/29/63/76/1175296376.db2.gz PVSGOUHHKXNRIM-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001689893733 1175296358 /nfs/dbraw/zinc/29/63/58/1175296358.db2.gz PVSGOUHHKXNRIM-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C#N)cn1 ZINC000926229459 617585727 /nfs/dbraw/zinc/58/57/27/617585727.db2.gz WSKCWUKSVAPFBJ-NNQSOWQGSA-N 2 1 256.353 1.383 10 30 CDEEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(C#N)cn1 ZINC000926229459 617585729 /nfs/dbraw/zinc/58/57/29/617585729.db2.gz WSKCWUKSVAPFBJ-NNQSOWQGSA-N 2 1 256.353 1.383 10 30 CDEEMP CSc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1C#N ZINC000925772566 617645848 /nfs/dbraw/zinc/64/58/48/617645848.db2.gz IUXOXGRTEDHIAN-SNVBAGLBSA-N 2 1 261.394 1.978 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000900994100 623810504 /nfs/dbraw/zinc/81/05/04/623810504.db2.gz FZQNWKAKIUEFBZ-CHWSQXEVSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CCN1CC[C@@H]([N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810718 626100584 /nfs/dbraw/zinc/10/05/84/626100584.db2.gz GAVYTSXMVKQYIT-CABCVRRESA-N 2 1 291.439 1.757 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266626668 1158704932 /nfs/dbraw/zinc/70/49/32/1158704932.db2.gz SKAFTWFMDHJGGQ-KLHDSHLOSA-N 2 1 289.423 1.263 10 30 CDEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001691082975 1158898439 /nfs/dbraw/zinc/89/84/39/1158898439.db2.gz PJDAZFAGVMJZJA-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001691082975 1158898446 /nfs/dbraw/zinc/89/84/46/1158898446.db2.gz PJDAZFAGVMJZJA-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001691082975 1158898453 /nfs/dbraw/zinc/89/84/53/1158898453.db2.gz PJDAZFAGVMJZJA-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001691146025 1158932519 /nfs/dbraw/zinc/93/25/19/1158932519.db2.gz LMPZRBPENLBSMO-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001691146025 1158932522 /nfs/dbraw/zinc/93/25/22/1158932522.db2.gz LMPZRBPENLBSMO-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001691146025 1158932523 /nfs/dbraw/zinc/93/25/23/1158932523.db2.gz LMPZRBPENLBSMO-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362156 1158510809 /nfs/dbraw/zinc/51/08/09/1158510809.db2.gz YSGGHSZQIHBRQL-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362156 1158510813 /nfs/dbraw/zinc/51/08/13/1158510813.db2.gz YSGGHSZQIHBRQL-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000876745708 1165907642 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/nfs/dbraw/zinc/12/66/71/1183126671.db2.gz PAAWOTOWOJSTSS-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733248719 1183369086 /nfs/dbraw/zinc/36/90/86/1183369086.db2.gz CDOFOFZYMOHJKZ-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733675410 1183494215 /nfs/dbraw/zinc/49/42/15/1183494215.db2.gz BEANLEBGAYNVAC-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCC1 ZINC001733726166 1183510294 /nfs/dbraw/zinc/51/02/94/1183510294.db2.gz KXACDTYKZCTWCW-UHFFFAOYSA-N 2 1 267.417 1.533 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733937142 1183575370 /nfs/dbraw/zinc/57/53/70/1183575370.db2.gz GZFTWNSWDVUITN-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001734045385 1183632550 /nfs/dbraw/zinc/63/25/50/1183632550.db2.gz SKVVYEJVOOXTRF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001734045385 1183632553 /nfs/dbraw/zinc/63/25/53/1183632553.db2.gz SKVVYEJVOOXTRF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001734045385 1183632554 /nfs/dbraw/zinc/63/25/54/1183632554.db2.gz SKVVYEJVOOXTRF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001734060516 1183642911 /nfs/dbraw/zinc/64/29/11/1183642911.db2.gz VRGTVIIQUMASLA-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001734060516 1183642912 /nfs/dbraw/zinc/64/29/12/1183642912.db2.gz VRGTVIIQUMASLA-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001734060516 1183642914 /nfs/dbraw/zinc/64/29/14/1183642914.db2.gz VRGTVIIQUMASLA-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001671089979 1164416825 /nfs/dbraw/zinc/41/68/25/1164416825.db2.gz FSOCNSHWQIMETB-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001671089979 1164416831 /nfs/dbraw/zinc/41/68/31/1164416831.db2.gz FSOCNSHWQIMETB-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001671089979 1164416834 /nfs/dbraw/zinc/41/68/34/1164416834.db2.gz FSOCNSHWQIMETB-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1C ZINC000876892679 755828858 /nfs/dbraw/zinc/82/88/58/755828858.db2.gz DVOIWQLFPFYWHF-LBPRGKRZSA-N 2 1 284.791 1.510 10 30 CDEEMP C[NH+]=C(NCC1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262017219 753962583 /nfs/dbraw/zinc/96/25/83/753962583.db2.gz XZNBEWMJRBORGM-TZMCWYRMSA-N 2 1 266.433 1.680 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000178580593 754571261 /nfs/dbraw/zinc/57/12/61/754571261.db2.gz DDIRSWGIINPOHO-OLZOCXBDSA-N 2 1 254.422 1.667 10 30 CDEEMP C#CCOCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785585 754740638 /nfs/dbraw/zinc/74/06/38/754740638.db2.gz WDQZCFYSNDOIQU-YHWZYXNKSA-N 2 1 265.357 1.007 10 30 CDEEMP C#CCOCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785585 754740647 /nfs/dbraw/zinc/74/06/47/754740647.db2.gz WDQZCFYSNDOIQU-YHWZYXNKSA-N 2 1 265.357 1.007 10 30 CDEEMP C[C@H](C#N)OCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000706256586 755332438 /nfs/dbraw/zinc/33/24/38/755332438.db2.gz QDRRRJWWPUEWGA-MCIONIFRSA-N 2 1 251.374 1.189 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(=C)C ZINC000930243381 755781022 /nfs/dbraw/zinc/78/10/22/755781022.db2.gz DJHFMBWYPDGSBI-AWEZNQCLSA-N 2 1 267.417 1.507 10 30 CDEEMP C=C(C)C[NH+](C)CC(=O)NC[C@H](C)[N@H+](C)CC(=C)C ZINC000930243381 755781031 /nfs/dbraw/zinc/78/10/31/755781031.db2.gz DJHFMBWYPDGSBI-AWEZNQCLSA-N 2 1 267.417 1.507 10 30 CDEEMP C=C(C)C[NH+](C)CC(=O)NC[C@H](C)[N@@H+](C)CC(=C)C ZINC000930243381 755781050 /nfs/dbraw/zinc/78/10/50/755781050.db2.gz DJHFMBWYPDGSBI-AWEZNQCLSA-N 2 1 267.417 1.507 10 30 CDEEMP C[NH+]=C(NC[C@H](C)SC)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261967279 756838570 /nfs/dbraw/zinc/83/85/70/756838570.db2.gz LTSFUPWZICVTTJ-FRRDWIJNSA-N 2 1 286.489 1.632 10 30 CDEEMP C[NH+]1C[C@]2(C)C[NH+](CCCSCC#N)C[C@@]2(C)C1 ZINC000931311725 756869878 /nfs/dbraw/zinc/86/98/78/756869878.db2.gz SDGVJZMLMMCLHO-ZIAGYGMSSA-N 2 1 267.442 1.907 10 30 CDEEMP CC[NH+]=C(NCC(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261933715 757553364 /nfs/dbraw/zinc/55/33/64/757553364.db2.gz BXJDNTOXRUZFON-ZIAGYGMSSA-N 2 1 268.449 1.926 10 30 CDEEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC1CCCC1 ZINC000170904551 758273328 /nfs/dbraw/zinc/27/33/28/758273328.db2.gz PSLKKNCZFZWGKG-UHFFFAOYSA-N 2 1 282.432 1.193 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001408255567 976980985 /nfs/dbraw/zinc/98/09/85/976980985.db2.gz ZKUSFVCNGIZGDG-LBPRGKRZSA-N 2 1 275.824 1.564 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001566629187 1168362837 /nfs/dbraw/zinc/36/28/37/1168362837.db2.gz UOVOTBLXYZMLJI-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001566703873 1168392638 /nfs/dbraw/zinc/39/26/38/1168392638.db2.gz DAVOQDRNCVIOSU-KBPBESRZSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566871407 1168453059 /nfs/dbraw/zinc/45/30/59/1168453059.db2.gz BRQFRKNOVBIOTR-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871407 1168453064 /nfs/dbraw/zinc/45/30/64/1168453064.db2.gz BRQFRKNOVBIOTR-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871407 1168453067 /nfs/dbraw/zinc/45/30/67/1168453067.db2.gz BRQFRKNOVBIOTR-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001566897055 1168460026 /nfs/dbraw/zinc/46/00/26/1168460026.db2.gz PTGGMWJPOXFAEW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567250753 1168639597 /nfs/dbraw/zinc/63/95/97/1168639597.db2.gz XGJGPFSIJCHUQA-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567250753 1168639600 /nfs/dbraw/zinc/63/96/00/1168639600.db2.gz XGJGPFSIJCHUQA-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567250753 1168639603 /nfs/dbraw/zinc/63/96/03/1168639603.db2.gz XGJGPFSIJCHUQA-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001266426198 894808929 /nfs/dbraw/zinc/80/89/29/894808929.db2.gz HQHLCKZLHPBLSS-CWRNSKLLSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001266769455 896010644 /nfs/dbraw/zinc/01/06/44/896010644.db2.gz AFRHYUNVSPQQPR-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001266823830 896129528 /nfs/dbraw/zinc/12/95/28/896129528.db2.gz WZCVIVPMROOKDI-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CCOCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266965511 896460195 /nfs/dbraw/zinc/46/01/95/896460195.db2.gz VIPKDHRJLQZXIF-KKUMJFAQSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267048939 896634496 /nfs/dbraw/zinc/63/44/96/896634496.db2.gz BYAQUWHBGXBXJH-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267064210 896668224 /nfs/dbraw/zinc/66/82/24/896668224.db2.gz DVQCXRKPBRMDPH-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001480923156 897079137 /nfs/dbraw/zinc/07/91/37/897079137.db2.gz MVMXLDJFPKLODW-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267296365 897498532 /nfs/dbraw/zinc/49/85/32/897498532.db2.gz MCOOTPVXDRIIDJ-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296365 897498536 /nfs/dbraw/zinc/49/85/36/897498536.db2.gz MCOOTPVXDRIIDJ-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001267296365 897498546 /nfs/dbraw/zinc/49/85/46/897498546.db2.gz MCOOTPVXDRIIDJ-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267305746 897542713 /nfs/dbraw/zinc/54/27/13/897542713.db2.gz CGCHUSXOAWGCBK-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001267337631 897629699 /nfs/dbraw/zinc/62/96/99/897629699.db2.gz CPIGWAQKJBXMLV-KBPBESRZSA-N 2 1 279.428 1.626 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](C(C)C)C1 ZINC001267558299 898356192 /nfs/dbraw/zinc/35/61/92/898356192.db2.gz WDCSZYVKCWOSLW-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](C(C)C)C1 ZINC001267558299 898356206 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ZINC001491811599 955478271 /nfs/dbraw/zinc/47/82/71/955478271.db2.gz GLZCIYSGHXUXQA-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC)C1 ZINC001491811599 955478274 /nfs/dbraw/zinc/47/82/74/955478274.db2.gz GLZCIYSGHXUXQA-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491965101 955548687 /nfs/dbraw/zinc/54/86/87/955548687.db2.gz GZDFAIQSNKDLBM-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965101 955548691 /nfs/dbraw/zinc/54/86/91/955548691.db2.gz GZDFAIQSNKDLBM-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965101 955548703 /nfs/dbraw/zinc/54/87/03/955548703.db2.gz GZDFAIQSNKDLBM-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493978804 972151050 /nfs/dbraw/zinc/15/10/50/972151050.db2.gz UFEOIIJKUYMPIN-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001493978804 972151054 /nfs/dbraw/zinc/15/10/54/972151054.db2.gz UFEOIIJKUYMPIN-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001493978804 972151059 /nfs/dbraw/zinc/15/10/59/972151059.db2.gz UFEOIIJKUYMPIN-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001329763932 956103488 /nfs/dbraw/zinc/10/34/88/956103488.db2.gz BPDIECFNDVLZLB-GJZGRUSLSA-N 2 1 281.444 1.587 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494078197 972172678 /nfs/dbraw/zinc/17/26/78/972172678.db2.gz GZKLBJSAIIMDDM-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494078197 972172681 /nfs/dbraw/zinc/17/26/81/972172681.db2.gz GZKLBJSAIIMDDM-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494078197 972172683 /nfs/dbraw/zinc/17/26/83/972172683.db2.gz GZKLBJSAIIMDDM-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001317532541 956800847 /nfs/dbraw/zinc/80/08/47/956800847.db2.gz LOFQPFJIZNGQFP-JKSUJKDBSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001316992295 957188259 /nfs/dbraw/zinc/18/82/59/957188259.db2.gz YXUVIBJBCHMGBB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316992295 957188266 /nfs/dbraw/zinc/18/82/66/957188266.db2.gz YXUVIBJBCHMGBB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001317062987 957238023 /nfs/dbraw/zinc/23/80/23/957238023.db2.gz PHYYFPVDQISPJU-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001317574452 957572202 /nfs/dbraw/zinc/57/22/02/957572202.db2.gz XKYFVAYEYUDJQZ-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1 ZINC001317596079 957588722 /nfs/dbraw/zinc/58/87/22/957588722.db2.gz GETDXPNAFHTCRV-KRWDZBQOSA-N 2 1 299.418 1.332 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccccc1 ZINC001317596079 957588729 /nfs/dbraw/zinc/58/87/29/957588729.db2.gz GETDXPNAFHTCRV-KRWDZBQOSA-N 2 1 299.418 1.332 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317831752 957682992 /nfs/dbraw/zinc/68/29/92/957682992.db2.gz WNFXZQVOGFIBJM-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317831752 957682999 /nfs/dbraw/zinc/68/29/99/957682999.db2.gz WNFXZQVOGFIBJM-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317831752 957683006 /nfs/dbraw/zinc/68/30/06/957683006.db2.gz WNFXZQVOGFIBJM-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318169733 957953158 /nfs/dbraw/zinc/95/31/58/957953158.db2.gz SLQVCUBUFGANIK-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)CCC)C1CC1 ZINC001318726647 958246752 /nfs/dbraw/zinc/24/67/52/958246752.db2.gz AEUCLRCEIJRBLR-MRXNPFEDSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494906788 972334885 /nfs/dbraw/zinc/33/48/85/972334885.db2.gz VBYPMALZCDNVGN-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494906788 972334887 /nfs/dbraw/zinc/33/48/87/972334887.db2.gz VBYPMALZCDNVGN-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001494906788 972334891 /nfs/dbraw/zinc/33/48/91/972334891.db2.gz VBYPMALZCDNVGN-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319476004 958585269 /nfs/dbraw/zinc/58/52/69/958585269.db2.gz MREHLGBMDZQNPM-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001319617408 958656497 /nfs/dbraw/zinc/65/64/97/958656497.db2.gz BLHNMNNTUSXTFD-HNNXBMFYSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001319946053 958805907 /nfs/dbraw/zinc/80/59/07/958805907.db2.gz WUVGTMNRIHUCOZ-CABCVRRESA-N 2 1 279.428 1.082 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001320066238 958912768 /nfs/dbraw/zinc/91/27/68/958912768.db2.gz CVJRSXAAHRSVGT-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321097843 959591779 /nfs/dbraw/zinc/59/17/79/959591779.db2.gz QTYHGSJGBKZECC-VQTKUKTRSA-N 2 1 299.846 1.875 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001321480135 959810151 /nfs/dbraw/zinc/81/01/51/959810151.db2.gz XYLCMBJOGRDOHN-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322194317 960125799 /nfs/dbraw/zinc/12/57/99/960125799.db2.gz RBIQUUONOHBXNV-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001322194317 960125807 /nfs/dbraw/zinc/12/58/07/960125807.db2.gz RBIQUUONOHBXNV-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001322194317 960125820 /nfs/dbraw/zinc/12/58/20/960125820.db2.gz RBIQUUONOHBXNV-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001322192185 960125868 /nfs/dbraw/zinc/12/58/68/960125868.db2.gz FDOWGOKYUDUUMZ-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322192185 960125880 /nfs/dbraw/zinc/12/58/80/960125880.db2.gz FDOWGOKYUDUUMZ-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322192185 960125885 /nfs/dbraw/zinc/12/58/85/960125885.db2.gz FDOWGOKYUDUUMZ-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001322281771 960165458 /nfs/dbraw/zinc/16/54/58/960165458.db2.gz RECVSEQCXHRUOI-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001322281771 960165467 /nfs/dbraw/zinc/16/54/67/960165467.db2.gz RECVSEQCXHRUOI-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001322281771 960165475 /nfs/dbraw/zinc/16/54/75/960165475.db2.gz RECVSEQCXHRUOI-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001492494585 960439108 /nfs/dbraw/zinc/43/91/08/960439108.db2.gz ZCQSKRNWDDZIQN-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001492494585 960439097 /nfs/dbraw/zinc/43/90/97/960439097.db2.gz ZCQSKRNWDDZIQN-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001492494585 960439103 /nfs/dbraw/zinc/43/91/03/960439103.db2.gz ZCQSKRNWDDZIQN-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001448443740 967113765 /nfs/dbraw/zinc/11/37/65/967113765.db2.gz CZXGMQMWGUXOGG-ZSOGYDGISA-N 2 1 297.830 1.129 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001371618033 972568197 /nfs/dbraw/zinc/56/81/97/972568197.db2.gz QXUSDNHHCHAKEZ-GXTWGEPZSA-N 2 1 299.846 1.519 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001496386759 972907094 /nfs/dbraw/zinc/90/70/94/972907094.db2.gz BMLFBLALMPIEJU-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CC1 ZINC001499253405 974223749 /nfs/dbraw/zinc/22/37/49/974223749.db2.gz CFEUPYHVMADIJU-HNNXBMFYSA-N 2 1 289.423 1.289 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(=C)C)CC1 ZINC001499253405 974223752 /nfs/dbraw/zinc/22/37/52/974223752.db2.gz CFEUPYHVMADIJU-HNNXBMFYSA-N 2 1 289.423 1.289 10 30 CDEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001375519839 974411379 /nfs/dbraw/zinc/41/13/79/974411379.db2.gz COWBAOQBABPYON-LBPRGKRZSA-N 2 1 285.819 1.319 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001505736391 974977018 /nfs/dbraw/zinc/97/70/18/974977018.db2.gz SNOVWWVALVBORE-NEPJUHHUSA-N 2 1 275.824 1.564 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001402491883 976312500 /nfs/dbraw/zinc/31/25/00/976312500.db2.gz INIZVBJLXRKLFB-IHRRRGAJSA-N 2 1 299.846 1.850 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001407110338 976560282 /nfs/dbraw/zinc/56/02/82/976560282.db2.gz ZYXQWTXSIVBRAR-STQMWFEESA-N 2 1 285.819 1.414 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001404103140 977336212 /nfs/dbraw/zinc/33/62/12/977336212.db2.gz NSDYNFCQBLRKFW-CYBMUJFWSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001404103140 977336218 /nfs/dbraw/zinc/33/62/18/977336218.db2.gz NSDYNFCQBLRKFW-CYBMUJFWSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001404103140 977336222 /nfs/dbraw/zinc/33/62/22/977336222.db2.gz NSDYNFCQBLRKFW-CYBMUJFWSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001404103140 977336226 /nfs/dbraw/zinc/33/62/26/977336226.db2.gz NSDYNFCQBLRKFW-CYBMUJFWSA-N 2 1 287.835 1.517 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001675904680 1174163676 /nfs/dbraw/zinc/16/36/76/1174163676.db2.gz XPIGMNVWPCALBD-BFHYXJOUSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001675909447 1174164478 /nfs/dbraw/zinc/16/44/78/1174164478.db2.gz IWWIIYPDXBQEID-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001676886390 1174284610 /nfs/dbraw/zinc/28/46/10/1174284610.db2.gz JDXRWKFIHXJWBZ-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001570538704 1170184363 /nfs/dbraw/zinc/18/43/63/1170184363.db2.gz RTCYHCGIMZXNQK-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570538704 1170184367 /nfs/dbraw/zinc/18/43/67/1170184367.db2.gz RTCYHCGIMZXNQK-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570538704 1170184374 /nfs/dbraw/zinc/18/43/74/1170184374.db2.gz RTCYHCGIMZXNQK-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001570636764 1170218975 /nfs/dbraw/zinc/21/89/75/1170218975.db2.gz NCSXNAZGOPSOIO-QWHCGFSZSA-N 2 1 278.400 1.675 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001570702722 1170241192 /nfs/dbraw/zinc/24/11/92/1170241192.db2.gz XLKYZWRACMHMDG-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001570702722 1170241198 /nfs/dbraw/zinc/24/11/98/1170241198.db2.gz XLKYZWRACMHMDG-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001570702722 1170241202 /nfs/dbraw/zinc/24/12/02/1170241202.db2.gz XLKYZWRACMHMDG-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001571638925 1170500616 /nfs/dbraw/zinc/50/06/16/1170500616.db2.gz BKGFSERGIBAXOB-AWEZNQCLSA-N 2 1 281.444 1.470 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC001652019413 1171388276 /nfs/dbraw/zinc/38/82/76/1171388276.db2.gz WGQLEODDBJVBRF-GDBMZVCRSA-N 2 1 293.455 1.921 10 30 CDEEMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccnc(C#N)c1 ZINC000611516863 346807774 /nfs/dbraw/zinc/80/77/74/346807774.db2.gz XGVMCVWMVQQHHG-UHFFFAOYSA-N 2 1 287.411 1.023 10 30 CDEEMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C1CCCC1 ZINC000594436609 342899453 /nfs/dbraw/zinc/89/94/53/342899453.db2.gz DROBYCCFXZWSOH-CQSZACIVSA-N 2 1 280.416 1.388 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000600714577 342242296 /nfs/dbraw/zinc/24/22/96/342242296.db2.gz AIRDQVFQNQHUCJ-MJBXVCDLSA-N 2 1 263.385 1.258 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000600714577 342242297 /nfs/dbraw/zinc/24/22/97/342242297.db2.gz AIRDQVFQNQHUCJ-MJBXVCDLSA-N 2 1 263.385 1.258 10 30 CDEEMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@H+]1C ZINC000600723790 342244998 /nfs/dbraw/zinc/24/49/98/342244998.db2.gz LZLYLDCRIPYMGM-FRRDWIJNSA-N 2 1 251.374 1.113 10 30 CDEEMP C[NH2+]C[C@](C)(O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600751071 342247337 /nfs/dbraw/zinc/24/73/37/342247337.db2.gz PAQUBHZIIFMUEF-INIZCTEOSA-N 2 1 273.380 1.081 10 30 CDEEMP C[NH2+]C[C@](C)(O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600751071 342247338 /nfs/dbraw/zinc/24/73/38/342247338.db2.gz PAQUBHZIIFMUEF-INIZCTEOSA-N 2 1 273.380 1.081 10 30 CDEEMP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000600751400 342247389 /nfs/dbraw/zinc/24/73/89/342247389.db2.gz RBPMBCCFTDDKDU-INIZCTEOSA-N 2 1 297.402 1.632 10 30 CDEEMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000344611761 357042841 /nfs/dbraw/zinc/04/28/41/357042841.db2.gz BHNLAXURKJICOK-OCCSQVGLSA-N 2 1 283.379 1.778 10 30 CDEEMP C[C@@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000344611761 357042843 /nfs/dbraw/zinc/04/28/43/357042843.db2.gz BHNLAXURKJICOK-OCCSQVGLSA-N 2 1 283.379 1.778 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+](CC)CCF)CC1 ZINC001660632108 1172246383 /nfs/dbraw/zinc/24/63/83/1172246383.db2.gz OYFYSTPIUILJNJ-UHFFFAOYSA-N 2 1 297.418 1.129 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001661690849 1172427296 /nfs/dbraw/zinc/42/72/96/1172427296.db2.gz WJMDKVAWPAWRHJ-OWCLPIDISA-N 2 1 287.407 1.712 10 30 CDEEMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001662872799 1172604862 /nfs/dbraw/zinc/60/48/62/1172604862.db2.gz SUYPRGUOROJFHH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001662872799 1172604891 /nfs/dbraw/zinc/60/48/91/1172604891.db2.gz SUYPRGUOROJFHH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000647902731 391200298 /nfs/dbraw/zinc/20/02/98/391200298.db2.gz BNHHYDHSSDXXFF-ZNMIVQPWSA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000647902731 391200300 /nfs/dbraw/zinc/20/03/00/391200300.db2.gz BNHHYDHSSDXXFF-ZNMIVQPWSA-N 2 1 277.412 1.237 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001663533298 1172718313 /nfs/dbraw/zinc/71/83/13/1172718313.db2.gz YNQVETUDTNLDRP-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001663533298 1172718316 /nfs/dbraw/zinc/71/83/16/1172718316.db2.gz YNQVETUDTNLDRP-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000662681536 413302787 /nfs/dbraw/zinc/30/27/87/413302787.db2.gz HIXHWKGFTOKGCI-DZGCQCFKSA-N 2 1 265.401 1.143 10 30 CDEEMP C#CC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001664894478 1172923361 /nfs/dbraw/zinc/92/33/61/1172923361.db2.gz XNKNPBHNJHJJPS-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001664894478 1172923368 /nfs/dbraw/zinc/92/33/68/1172923368.db2.gz XNKNPBHNJHJJPS-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001665592792 1173016543 /nfs/dbraw/zinc/01/65/43/1173016543.db2.gz WHKWVFVYCFHQDZ-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001665592792 1173016547 /nfs/dbraw/zinc/01/65/47/1173016547.db2.gz WHKWVFVYCFHQDZ-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001665592792 1173016554 /nfs/dbraw/zinc/01/65/54/1173016554.db2.gz WHKWVFVYCFHQDZ-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001667584452 1173293278 /nfs/dbraw/zinc/29/32/78/1173293278.db2.gz ANSACHJHHGINTR-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001667584452 1173293290 /nfs/dbraw/zinc/29/32/90/1173293290.db2.gz ANSACHJHHGINTR-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001670139324 1173657840 /nfs/dbraw/zinc/65/78/40/1173657840.db2.gz XRGXDVPVUSGOCE-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564863 1173690337 /nfs/dbraw/zinc/69/03/37/1173690337.db2.gz ZDGQLBZEUIKBLC-GOEBONIOSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001672897564 1173807366 /nfs/dbraw/zinc/80/73/66/1173807366.db2.gz SJJQQKPHLSWJRE-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000262440436 330013045 /nfs/dbraw/zinc/01/30/45/330013045.db2.gz HMGVJYXYXCIKIK-GXTWGEPZSA-N 2 1 280.416 1.039 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001481059614 1159507309 /nfs/dbraw/zinc/50/73/09/1159507309.db2.gz UCWVOSVDTHZTSG-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001481059614 1159507311 /nfs/dbraw/zinc/50/73/11/1159507311.db2.gz UCWVOSVDTHZTSG-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001481059614 1159507313 /nfs/dbraw/zinc/50/73/13/1159507313.db2.gz UCWVOSVDTHZTSG-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001481176511 1159548795 /nfs/dbraw/zinc/54/87/95/1159548795.db2.gz HZXPJLZJVPLZQJ-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001481176511 1159548800 /nfs/dbraw/zinc/54/88/00/1159548800.db2.gz HZXPJLZJVPLZQJ-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C1CCCC1 ZINC001484011989 1161245834 /nfs/dbraw/zinc/24/58/34/1161245834.db2.gz FVDMZQCPKWPLCI-OAHLLOKOSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001671040551 1161411729 /nfs/dbraw/zinc/41/17/29/1161411729.db2.gz ZEHWUCNKXCYJJZ-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714569665 1179226753 /nfs/dbraw/zinc/22/67/53/1179226753.db2.gz ANDSLDPCNKDTDW-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716849946 1180438372 /nfs/dbraw/zinc/43/83/72/1180438372.db2.gz HWKVEXPVORPLNW-ZFWWWQNUSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001716849946 1180438376 /nfs/dbraw/zinc/43/83/76/1180438376.db2.gz HWKVEXPVORPLNW-ZFWWWQNUSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001716849946 1180438380 /nfs/dbraw/zinc/43/83/80/1180438380.db2.gz HWKVEXPVORPLNW-ZFWWWQNUSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717215147 1180579653 /nfs/dbraw/zinc/57/96/53/1180579653.db2.gz ZUYLBPUUKZVZQY-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP CC1(C)C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049609325 520467887 /nfs/dbraw/zinc/46/78/87/520467887.db2.gz VEHQBUYOKGQWIY-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP CC1(C)C[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049609325 520467897 /nfs/dbraw/zinc/46/78/97/520467897.db2.gz VEHQBUYOKGQWIY-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP N#Cc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccn1 ZINC000068752906 526550579 /nfs/dbraw/zinc/55/05/79/526550579.db2.gz BMZZPCAAZXQGFF-CYBMUJFWSA-N 2 1 256.353 1.527 10 30 CDEEMP N#Cc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccn1 ZINC000068752906 526550582 /nfs/dbraw/zinc/55/05/82/526550582.db2.gz BMZZPCAAZXQGFF-CYBMUJFWSA-N 2 1 256.353 1.527 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001689355383 1175151935 /nfs/dbraw/zinc/15/19/35/1175151935.db2.gz WEGWBNIHBXOFEF-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001689355383 1175151939 /nfs/dbraw/zinc/15/19/39/1175151939.db2.gz WEGWBNIHBXOFEF-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907838888 627853090 /nfs/dbraw/zinc/85/30/90/627853090.db2.gz JBHBIQHGRRWZGB-GASCZTMLSA-N 2 1 297.443 1.062 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000907838888 627853092 /nfs/dbraw/zinc/85/30/92/627853092.db2.gz JBHBIQHGRRWZGB-GASCZTMLSA-N 2 1 297.443 1.062 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691184463 1158949314 /nfs/dbraw/zinc/94/93/14/1158949314.db2.gz MNDOHUJKFCCHSF-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)CC[NH+](C)C)C1CC1 ZINC001691222827 1158964941 /nfs/dbraw/zinc/96/49/41/1158964941.db2.gz JSPUTKVIMOEYMA-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001691364883 1159037865 /nfs/dbraw/zinc/03/78/65/1159037865.db2.gz JNEIRDDNJXTKDV-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001567367987 1168714217 /nfs/dbraw/zinc/71/42/17/1168714217.db2.gz MMBWEDWKIOXRGU-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001567861147 1169026767 /nfs/dbraw/zinc/02/67/67/1169026767.db2.gz LCVCIFQAOFDGPE-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001568155379 1169149582 /nfs/dbraw/zinc/14/95/82/1169149582.db2.gz MNHKLPPAJOJZBG-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001569381483 1169831732 /nfs/dbraw/zinc/83/17/32/1169831732.db2.gz QVHXFHVHUNPMHM-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569854709 1170018706 /nfs/dbraw/zinc/01/87/06/1170018706.db2.gz FCKXJIAMKPYMMY-GJZGRUSLSA-N 2 1 279.428 1.034 10 30 CDEEMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001661270526 1172362026 /nfs/dbraw/zinc/36/20/26/1172362026.db2.gz BIYJOCCHDGKATL-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001661270526 1172362034 /nfs/dbraw/zinc/36/20/34/1172362034.db2.gz BIYJOCCHDGKATL-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001661270526 1172362038 /nfs/dbraw/zinc/36/20/38/1172362038.db2.gz BIYJOCCHDGKATL-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001662351441 1172535925 /nfs/dbraw/zinc/53/59/25/1172535925.db2.gz VYGYVAKKMOZIPP-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662728128 1172586996 /nfs/dbraw/zinc/58/69/96/1172586996.db2.gz NOJTVSCLZVWSOG-RDJZCZTQSA-N 2 1 299.418 1.361 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663602633 1172732463 /nfs/dbraw/zinc/73/24/63/1172732463.db2.gz BSUZHOMZHABCRP-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663602633 1172732467 /nfs/dbraw/zinc/73/24/67/1172732467.db2.gz BSUZHOMZHABCRP-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001664894478 1172923352 /nfs/dbraw/zinc/92/33/52/1172923352.db2.gz XNKNPBHNJHJJPS-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCC=C)C2)CC1 ZINC001665234628 1172964961 /nfs/dbraw/zinc/96/49/61/1172964961.db2.gz BXMXLKRUZSTEMY-UHFFFAOYSA-N 2 1 289.423 1.098 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001665888087 1173080375 /nfs/dbraw/zinc/08/03/75/1173080375.db2.gz NNIPKSYUZIADFZ-CYBMUJFWSA-N 2 1 264.373 1.252 10 30 CDEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001671915971 1173722503 /nfs/dbraw/zinc/72/25/03/1173722503.db2.gz CFBCYGUMPHWQRL-RDJZCZTQSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001671915971 1173722495 /nfs/dbraw/zinc/72/24/95/1173722495.db2.gz CFBCYGUMPHWQRL-RDJZCZTQSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001671915971 1173722498 /nfs/dbraw/zinc/72/24/98/1173722498.db2.gz CFBCYGUMPHWQRL-RDJZCZTQSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001673492180 1173865332 /nfs/dbraw/zinc/86/53/32/1173865332.db2.gz ZENNKYVOELFWNJ-IYBDPMFKSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001673492180 1173865336 /nfs/dbraw/zinc/86/53/36/1173865336.db2.gz ZENNKYVOELFWNJ-IYBDPMFKSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001673492180 1173865341 /nfs/dbraw/zinc/86/53/41/1173865341.db2.gz ZENNKYVOELFWNJ-IYBDPMFKSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001675271209 1174092433 /nfs/dbraw/zinc/09/24/33/1174092433.db2.gz YPUZSWYXLBSZPO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001675271209 1174092439 /nfs/dbraw/zinc/09/24/39/1174092439.db2.gz YPUZSWYXLBSZPO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001675271209 1174092428 /nfs/dbraw/zinc/09/24/28/1174092428.db2.gz YPUZSWYXLBSZPO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001690458494 1175476260 /nfs/dbraw/zinc/47/62/60/1175476260.db2.gz DDTBOMXMIRMGDQ-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001690458494 1175476261 /nfs/dbraw/zinc/47/62/61/1175476261.db2.gz DDTBOMXMIRMGDQ-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001690486071 1175481315 /nfs/dbraw/zinc/48/13/15/1175481315.db2.gz UFOPJMMUZNRYBH-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001690771952 1175571272 /nfs/dbraw/zinc/57/12/72/1175571272.db2.gz MGXAAQKIVWYMPM-HUUCEWRRSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001698579187 1175855423 /nfs/dbraw/zinc/85/54/23/1175855423.db2.gz XCSZQRZMKPFJRJ-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001698712955 1175901895 /nfs/dbraw/zinc/90/18/95/1175901895.db2.gz IAEQJILJUBKLPF-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001698756714 1175920518 /nfs/dbraw/zinc/92/05/18/1175920518.db2.gz MUDXLGDCWUGFBN-GFCCVEGCSA-N 2 1 264.373 1.110 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001698825573 1175951984 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CDEEMP C=CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001699774248 1176617517 /nfs/dbraw/zinc/61/75/17/1176617517.db2.gz IZSDSKFNNFHMLI-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001699970009 1176701719 /nfs/dbraw/zinc/70/17/19/1176701719.db2.gz NTLFAOSHANUZRN-GJZGRUSLSA-N 2 1 281.444 1.587 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001700126275 1176758710 /nfs/dbraw/zinc/75/87/10/1176758710.db2.gz HWLWVSCUFSOGML-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001700779999 1177129336 /nfs/dbraw/zinc/12/93/36/1177129336.db2.gz HORBMSMNJYNRIE-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700898848 1177187561 /nfs/dbraw/zinc/18/75/61/1177187561.db2.gz BROKIDCAVGAGCF-HUUCEWRRSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713247324 1178450770 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1.198 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001717604073 1180756341 /nfs/dbraw/zinc/75/63/41/1180756341.db2.gz MNABJSNLIGKRLX-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001717971334 1180953293 /nfs/dbraw/zinc/95/32/93/1180953293.db2.gz JMYHCNSYBJCIRG-KBPBESRZSA-N 2 1 279.428 1.082 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297259 1181533681 /nfs/dbraw/zinc/53/36/81/1181533681.db2.gz FMPUBMRAZYPZSM-HOTGVXAUSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+](C)C)C1 ZINC001724343074 1181666752 /nfs/dbraw/zinc/66/67/52/1181666752.db2.gz OTIVLYXSMYDLQG-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001725072339 1181845945 /nfs/dbraw/zinc/84/59/45/1181845945.db2.gz IIMVSUKHTJFVHT-SLTAFYQDSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001725183770 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C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001731840697 1182619844 /nfs/dbraw/zinc/61/98/44/1182619844.db2.gz GMHAYXKDAMHUIQ-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001731883951 1182650479 /nfs/dbraw/zinc/65/04/79/1182650479.db2.gz BVXSOSZKVBIHFJ-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001731945989 1182692748 /nfs/dbraw/zinc/69/27/48/1182692748.db2.gz JEIUXAYQEZXIRO-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001732070080 1182751141 /nfs/dbraw/zinc/75/11/41/1182751141.db2.gz BCYKZZBWWXTCGB-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001732147705 1182804897 /nfs/dbraw/zinc/80/48/97/1182804897.db2.gz WQJOEYOQIOAMKI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001733100227 1183291037 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C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1C ZINC000876771816 769890962 /nfs/dbraw/zinc/89/09/62/769890962.db2.gz ZTROYIZBOAUJKH-LBPRGKRZSA-N 2 1 284.791 1.558 10 30 CDEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)o2)C1 ZINC000871739897 770844716 /nfs/dbraw/zinc/84/47/16/770844716.db2.gz DKPNPAONZDKDCQ-CYBMUJFWSA-N 2 1 292.339 1.259 10 30 CDEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(C#N)o2)C1 ZINC000871739897 770844718 /nfs/dbraw/zinc/84/47/18/770844718.db2.gz DKPNPAONZDKDCQ-CYBMUJFWSA-N 2 1 292.339 1.259 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000862628708 771853702 /nfs/dbraw/zinc/85/37/02/771853702.db2.gz ISBPCRKUGNWWKK-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1CCC[N@H+]1C ZINC000262013752 772144284 /nfs/dbraw/zinc/14/42/84/772144284.db2.gz VEPFSOVSHSWIOE-HNNXBMFYSA-N 2 1 274.412 1.788 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261972906 772554752 /nfs/dbraw/zinc/55/47/52/772554752.db2.gz NEQRAIIAIAPVKG-TZMCWYRMSA-N 2 1 266.433 1.823 10 30 CDEEMP C#C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000827554188 772728680 /nfs/dbraw/zinc/72/86/80/772728680.db2.gz ADFRENJUFWYAQK-MRXNPFEDSA-N 2 1 262.397 1.631 10 30 CDEEMP N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060194 772777057 /nfs/dbraw/zinc/77/70/57/772777057.db2.gz GUBIHJHBZYCBTG-NWANDNLSSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060194 772777063 /nfs/dbraw/zinc/77/70/63/772777063.db2.gz GUBIHJHBZYCBTG-NWANDNLSSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060194 772777067 /nfs/dbraw/zinc/77/70/67/772777067.db2.gz GUBIHJHBZYCBTG-NWANDNLSSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930060194 772777074 /nfs/dbraw/zinc/77/70/74/772777074.db2.gz GUBIHJHBZYCBTG-NWANDNLSSA-N 2 1 263.385 1.210 10 30 CDEEMP C[NH+]=C(NC[C@H](C)SC)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261967283 772948869 /nfs/dbraw/zinc/94/88/69/772948869.db2.gz LTSFUPWZICVTTJ-RWMBFGLXSA-N 2 1 286.489 1.632 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000876956442 773001689 /nfs/dbraw/zinc/00/16/89/773001689.db2.gz KDXXUPZWBADKIJ-VXGBXAGGSA-N 2 1 287.835 1.693 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876754348 773091626 /nfs/dbraw/zinc/09/16/26/773091626.db2.gz MYSGYSALFGEGPY-NEPJUHHUSA-N 2 1 271.792 1.057 10 30 CDEEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000923408881 773729008 /nfs/dbraw/zinc/72/90/08/773729008.db2.gz IBSFRNHHZDNIDZ-ZACQAIPSSA-N 2 1 285.391 1.523 10 30 CDEEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000923408881 773729014 /nfs/dbraw/zinc/72/90/14/773729014.db2.gz IBSFRNHHZDNIDZ-ZACQAIPSSA-N 2 1 285.391 1.523 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118049 1167553340 /nfs/dbraw/zinc/55/33/40/1167553340.db2.gz NEKYWBKXIQHOTB-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569118049 1167553344 /nfs/dbraw/zinc/55/33/44/1167553344.db2.gz NEKYWBKXIQHOTB-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569118049 1167553352 /nfs/dbraw/zinc/55/33/52/1167553352.db2.gz NEKYWBKXIQHOTB-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001568189363 1168095973 /nfs/dbraw/zinc/09/59/73/1168095973.db2.gz XITNGDKACYBLEC-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001566439889 1168273014 /nfs/dbraw/zinc/27/30/14/1168273014.db2.gz SLERTAPPBGMSSK-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001566439889 1168273024 /nfs/dbraw/zinc/27/30/24/1168273024.db2.gz SLERTAPPBGMSSK-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001566439889 1168273032 /nfs/dbraw/zinc/27/30/32/1168273032.db2.gz SLERTAPPBGMSSK-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566628827 1168364331 /nfs/dbraw/zinc/36/43/31/1168364331.db2.gz HXOXTQULLZXJEB-ZIAGYGMSSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566628827 1168364338 /nfs/dbraw/zinc/36/43/38/1168364338.db2.gz HXOXTQULLZXJEB-ZIAGYGMSSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682828 1168387851 /nfs/dbraw/zinc/38/78/51/1168387851.db2.gz NJODEGNUUUHLLX-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566879709 1168454798 /nfs/dbraw/zinc/45/47/98/1168454798.db2.gz RZVLICKZFDTROR-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567178057 1168606932 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/nfs/dbraw/zinc/07/21/31/895072131.db2.gz GAWOBYMPGCHLLD-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001266498833 895072148 /nfs/dbraw/zinc/07/21/48/895072148.db2.gz GAWOBYMPGCHLLD-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266818193 896114789 /nfs/dbraw/zinc/11/47/89/896114789.db2.gz YBBXMTGUCNPUDQ-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267064211 896666893 /nfs/dbraw/zinc/66/68/93/896666893.db2.gz DVQCXRKPBRMDPH-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267303302 897530591 /nfs/dbraw/zinc/53/05/91/897530591.db2.gz LOQMCDLSZROADN-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267303302 897530598 /nfs/dbraw/zinc/53/05/98/897530598.db2.gz LOQMCDLSZROADN-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267308047 897551811 /nfs/dbraw/zinc/55/18/11/897551811.db2.gz YTRZWRWOYQDHLL-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975075 898415623 /nfs/dbraw/zinc/41/56/23/898415623.db2.gz FWXFXISWYUAUEK-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267600165 898696448 /nfs/dbraw/zinc/69/64/48/898696448.db2.gz CIIZFKKBIAEOEJ-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267600165 898696454 /nfs/dbraw/zinc/69/64/54/898696454.db2.gz CIIZFKKBIAEOEJ-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267600165 898696459 /nfs/dbraw/zinc/69/64/59/898696459.db2.gz CIIZFKKBIAEOEJ-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001267682219 899270799 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CC#CC[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267805813 899777804 /nfs/dbraw/zinc/77/78/04/899777804.db2.gz IVQOOEISOMDCNB-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001267847760 899865472 /nfs/dbraw/zinc/86/54/72/899865472.db2.gz BIPPQZKCYQGIBP-GDBMZVCRSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481373111 900506295 /nfs/dbraw/zinc/50/62/95/900506295.db2.gz UZWXGDXVUBLFCG-NVXWUHKLSA-N 2 1 299.418 1.409 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481988567 902440840 /nfs/dbraw/zinc/44/08/40/902440840.db2.gz DZPBXVUTZXQURC-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268540012 902533188 /nfs/dbraw/zinc/53/31/88/902533188.db2.gz BDLVZINTKGZQOR-GXMNPTEKSA-N 2 1 265.401 1.307 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CCC ZINC001268983897 903303325 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C=CCC[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001567849221 1169014326 /nfs/dbraw/zinc/01/43/26/1169014326.db2.gz UXDOTOAHSVYXHX-OKILXGFUSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001270600378 904776194 /nfs/dbraw/zinc/77/61/94/904776194.db2.gz ZDQSYFKUQPJFSG-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001270600378 904776205 /nfs/dbraw/zinc/77/62/05/904776205.db2.gz ZDQSYFKUQPJFSG-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001270600378 904776212 /nfs/dbraw/zinc/77/62/12/904776212.db2.gz ZDQSYFKUQPJFSG-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001270778076 905035493 /nfs/dbraw/zinc/03/54/93/905035493.db2.gz DSJLJPWDXBLRMO-YQQAZPJKSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001482539241 906956429 /nfs/dbraw/zinc/95/64/29/906956429.db2.gz PZMVBMLHXWRPTJ-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001273575490 921341382 /nfs/dbraw/zinc/34/13/82/921341382.db2.gz GCAZMJSHAOMNCT-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001567979025 1169105528 /nfs/dbraw/zinc/10/55/28/1169105528.db2.gz FOCKZWMFVOOVTO-CYBMUJFWSA-N 2 1 276.384 1.124 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483549550 911238470 /nfs/dbraw/zinc/23/84/70/911238470.db2.gz ITCHXDWOUBFQSO-UONOGXRCSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001483936533 915209088 /nfs/dbraw/zinc/20/90/88/915209088.db2.gz OORFEMQQWFDZPC-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCN(C(=O)CC[N@@H+](C)CC)C1CC[NH+](CCF)CC1 ZINC001483989061 915268833 /nfs/dbraw/zinc/26/88/33/915268833.db2.gz VOZMDJRKUSQVPG-UHFFFAOYSA-N 2 1 297.418 1.224 10 30 CDEEMP C#CCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CCF)CC1 ZINC001483989061 915268846 /nfs/dbraw/zinc/26/88/46/915268846.db2.gz VOZMDJRKUSQVPG-UHFFFAOYSA-N 2 1 297.418 1.224 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001484095098 915427774 /nfs/dbraw/zinc/42/77/74/915427774.db2.gz BHJKJZCSGLDWTC-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001484412461 915739288 /nfs/dbraw/zinc/73/92/88/915739288.db2.gz RHOWRDOPGWIQJQ-BETUJISGSA-N 2 1 285.819 1.081 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001484647968 916005082 /nfs/dbraw/zinc/00/50/82/916005082.db2.gz VIWLVBSQPQNMPW-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001484978305 916353540 /nfs/dbraw/zinc/35/35/40/916353540.db2.gz JKTSWIJUJKWZPG-ZIAGYGMSSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001485080994 916491908 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CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001490898271 936669598 /nfs/dbraw/zinc/66/95/98/936669598.db2.gz YHAHTWDTVQQHMC-VGWMRTNUSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001490898271 936669599 /nfs/dbraw/zinc/66/95/99/936669599.db2.gz YHAHTWDTVQQHMC-VGWMRTNUSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491124743 936861652 /nfs/dbraw/zinc/86/16/52/936861652.db2.gz BGBKHEAWGHZRTH-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001489213251 926831015 /nfs/dbraw/zinc/83/10/15/926831015.db2.gz PWWDRAIIBKTSDY-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001489213251 926831026 /nfs/dbraw/zinc/83/10/26/926831026.db2.gz PWWDRAIIBKTSDY-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001489244419 926833766 /nfs/dbraw/zinc/83/37/66/926833766.db2.gz URVXKPDFYKXMTR-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001489328097 926871508 /nfs/dbraw/zinc/87/15/08/926871508.db2.gz SSQRWYATHSOYIQ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001490270908 927067842 /nfs/dbraw/zinc/06/78/42/927067842.db2.gz XSWVFVYSVLBZEX-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001490741617 927314388 /nfs/dbraw/zinc/31/43/88/927314388.db2.gz JUAGCIDDEDKFIT-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001275159751 931683913 /nfs/dbraw/zinc/68/39/13/931683913.db2.gz GJBMERGMPBWGDC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001275159751 931683919 /nfs/dbraw/zinc/68/39/19/931683919.db2.gz GJBMERGMPBWGDC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001275159751 931683921 /nfs/dbraw/zinc/68/39/21/931683921.db2.gz GJBMERGMPBWGDC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001275730775 931983608 /nfs/dbraw/zinc/98/36/08/931983608.db2.gz XJGCRPNTXQWSSF-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000686812204 934200628 /nfs/dbraw/zinc/20/06/28/934200628.db2.gz GMOAYYYBLLZUIG-UHFFFAOYSA-N 2 1 285.391 1.119 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCN2C)C(C)(C)C1 ZINC001276601247 940409047 /nfs/dbraw/zinc/40/90/47/940409047.db2.gz MJSLEHXQAOFFHH-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC001276601247 940409049 /nfs/dbraw/zinc/40/90/49/940409049.db2.gz MJSLEHXQAOFFHH-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001276601247 940409051 /nfs/dbraw/zinc/40/90/51/940409051.db2.gz MJSLEHXQAOFFHH-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276601247 940409053 /nfs/dbraw/zinc/40/90/53/940409053.db2.gz MJSLEHXQAOFFHH-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001276601247 940409054 /nfs/dbraw/zinc/40/90/54/940409054.db2.gz MJSLEHXQAOFFHH-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568775524 1169471774 /nfs/dbraw/zinc/47/17/74/1169471774.db2.gz ATROFMSQZQUMCY-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001280440661 942443645 /nfs/dbraw/zinc/44/36/45/942443645.db2.gz FCIJBJYHVLGTTC-CVEARBPZSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284067108 943067644 /nfs/dbraw/zinc/06/76/44/943067644.db2.gz KOGBTEJFLMIDRA-YQQAZPJKSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001277924183 944060214 /nfs/dbraw/zinc/06/02/14/944060214.db2.gz BMHTVAFBXDSDIG-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001264370569 944114017 /nfs/dbraw/zinc/11/40/17/944114017.db2.gz FURIAYAOXJFTBJ-UONOGXRCSA-N 2 1 267.417 1.291 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001264370569 944114020 /nfs/dbraw/zinc/11/40/20/944114020.db2.gz FURIAYAOXJFTBJ-UONOGXRCSA-N 2 1 267.417 1.291 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001264743057 944173584 /nfs/dbraw/zinc/17/35/84/944173584.db2.gz QUFLMINQVPCJEW-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001264743057 944173583 /nfs/dbraw/zinc/17/35/83/944173583.db2.gz QUFLMINQVPCJEW-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265453921 944394341 /nfs/dbraw/zinc/39/43/41/944394341.db2.gz AHIWIXBUVVHIQH-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265629641 944451132 /nfs/dbraw/zinc/45/11/32/944451132.db2.gz DBUAGFNVDJRORQ-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706742 944476973 /nfs/dbraw/zinc/47/69/73/944476973.db2.gz YXTQHERVLWIUQB-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265971363 944607363 /nfs/dbraw/zinc/60/73/63/944607363.db2.gz KRQZZCAIYMIVFU-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265971363 944607369 /nfs/dbraw/zinc/60/73/69/944607369.db2.gz KRQZZCAIYMIVFU-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265971363 944607373 /nfs/dbraw/zinc/60/73/73/944607373.db2.gz KRQZZCAIYMIVFU-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266107425 944687607 /nfs/dbraw/zinc/68/76/07/944687607.db2.gz COMGVXJXXUEFTJ-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266107425 944687614 /nfs/dbraw/zinc/68/76/14/944687614.db2.gz COMGVXJXXUEFTJ-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266107425 944687626 /nfs/dbraw/zinc/68/76/26/944687626.db2.gz COMGVXJXXUEFTJ-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110593 944687762 /nfs/dbraw/zinc/68/77/62/944687762.db2.gz LBMBWEGSWKAQMH-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266143766 944710898 /nfs/dbraw/zinc/71/08/98/944710898.db2.gz IOHCQGGGFNNVHT-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266154839 944720057 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C=CC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480600234 971801442 /nfs/dbraw/zinc/80/14/42/971801442.db2.gz UWFNNRJCSOVCTM-UKRRQHHQSA-N 2 1 275.396 1.570 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108758 971952584 /nfs/dbraw/zinc/95/25/84/971952584.db2.gz REEKNFMTOLJCCZ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421752090 955521499 /nfs/dbraw/zinc/52/14/99/955521499.db2.gz FHFOIHSMCJPXIY-WCQYABFASA-N 2 1 287.835 1.423 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001329473311 955937588 /nfs/dbraw/zinc/93/75/88/955937588.db2.gz YDTMAGJSTYHDLE-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001329473311 955937594 /nfs/dbraw/zinc/93/75/94/955937594.db2.gz YDTMAGJSTYHDLE-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001329473311 955937600 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GCOLJNAPPDTOCA-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001494507535 972243910 /nfs/dbraw/zinc/24/39/10/972243910.db2.gz NOWBBDNRBSJDHJ-INIZCTEOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317195241 957336361 /nfs/dbraw/zinc/33/63/61/957336361.db2.gz YWSNQEYOZOBDCU-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317366468 957439065 /nfs/dbraw/zinc/43/90/65/957439065.db2.gz QMZFRUQWDONRRY-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001332120987 957440059 /nfs/dbraw/zinc/44/00/59/957440059.db2.gz WZNFEXRTZYQKLI-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001332120987 957440062 /nfs/dbraw/zinc/44/00/62/957440062.db2.gz WZNFEXRTZYQKLI-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001317574454 957571757 /nfs/dbraw/zinc/57/17/57/957571757.db2.gz XKYFVAYEYUDJQZ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001367411266 957999102 /nfs/dbraw/zinc/99/91/02/957999102.db2.gz XXJKYAHAMNTVDE-RYUDHWBXSA-N 2 1 273.808 1.127 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001318376834 958067415 /nfs/dbraw/zinc/06/74/15/958067415.db2.gz UCFVNTXFBCEHER-QGZVFWFLSA-N 2 1 299.418 1.332 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001318376834 958067421 /nfs/dbraw/zinc/06/74/21/958067421.db2.gz UCFVNTXFBCEHER-QGZVFWFLSA-N 2 1 299.418 1.332 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001318376834 958067435 /nfs/dbraw/zinc/06/74/35/958067435.db2.gz UCFVNTXFBCEHER-QGZVFWFLSA-N 2 1 299.418 1.332 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001318376834 958067443 /nfs/dbraw/zinc/06/74/43/958067443.db2.gz UCFVNTXFBCEHER-QGZVFWFLSA-N 2 1 299.418 1.332 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001494909658 972334337 /nfs/dbraw/zinc/33/43/37/972334337.db2.gz HAYGWVICCQCEMO-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001319478205 958585377 /nfs/dbraw/zinc/58/53/77/958585377.db2.gz SELXGDKXNNPGAJ-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCC1 ZINC001495200056 972436813 /nfs/dbraw/zinc/43/68/13/972436813.db2.gz OETCKCWZMZAFCI-UHFFFAOYSA-N 2 1 279.428 1.370 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001321113616 959601444 /nfs/dbraw/zinc/60/14/44/959601444.db2.gz ZMLUURRAKRLJPM-XFCCUVRLSA-N 2 1 289.423 1.289 10 30 CDEEMP C=CCO[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC001321239453 959670672 /nfs/dbraw/zinc/67/06/72/959670672.db2.gz LXIINVWUYQWYHK-KRWDZBQOSA-N 2 1 295.471 1.679 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001438427893 963445182 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C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001500087966 974372260 /nfs/dbraw/zinc/37/22/60/974372260.db2.gz HIESFHFUNVHGDT-BMFZPTHFSA-N 2 1 293.455 1.777 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001502246447 974718905 /nfs/dbraw/zinc/71/89/05/974718905.db2.gz UZOMSLTZRPXIPX-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001505969827 975064713 /nfs/dbraw/zinc/06/47/13/975064713.db2.gz PXQQCRXWMMEQKG-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001505969827 975064717 /nfs/dbraw/zinc/06/47/17/975064717.db2.gz PXQQCRXWMMEQKG-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001505969827 975064720 /nfs/dbraw/zinc/06/47/20/975064720.db2.gz PXQQCRXWMMEQKG-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001377671109 975106474 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1.389 10 30 CDEEMP C#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C(C)C)CCCC[C@@H]1C ZINC001714184630 1179005970 /nfs/dbraw/zinc/00/59/70/1179005970.db2.gz BGHKCILAQYEYNE-DOTOQJQBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714390074 1179120099 /nfs/dbraw/zinc/12/00/99/1179120099.db2.gz BLBGOHFJUOUVCE-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001714659721 1179306407 /nfs/dbraw/zinc/30/64/07/1179306407.db2.gz UJGQSOOFLCSAFT-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001714729292 1179363253 /nfs/dbraw/zinc/36/32/53/1179363253.db2.gz XEIYLRLMSQFTPD-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001714859112 1179422546 /nfs/dbraw/zinc/42/25/46/1179422546.db2.gz GCNPUVZCGLANJU-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CCC)C1 ZINC001714859112 1179422550 /nfs/dbraw/zinc/42/25/50/1179422550.db2.gz GCNPUVZCGLANJU-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CCC)C1 ZINC001714859112 1179422553 /nfs/dbraw/zinc/42/25/53/1179422553.db2.gz GCNPUVZCGLANJU-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001715066797 1179537203 /nfs/dbraw/zinc/53/72/03/1179537203.db2.gz YCOIZTVVZDSPHM-HOCLYGCPSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001715496012 1179682785 /nfs/dbraw/zinc/68/27/85/1179682785.db2.gz WBWRUOHKMUVQGV-UONOGXRCSA-N 2 1 267.417 1.387 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)CCCC[NH+](C)C ZINC001715997425 1179972300 /nfs/dbraw/zinc/97/23/00/1179972300.db2.gz ZXYBTZDXINKFCK-UHFFFAOYSA-N 2 1 267.417 1.132 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716028630 1180004839 /nfs/dbraw/zinc/00/48/39/1180004839.db2.gz ZBIOMVVZXYXGKF-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716028630 1180004846 /nfs/dbraw/zinc/00/48/46/1180004846.db2.gz ZBIOMVVZXYXGKF-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001716028630 1180004852 /nfs/dbraw/zinc/00/48/52/1180004852.db2.gz ZBIOMVVZXYXGKF-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716216460 1180106945 /nfs/dbraw/zinc/10/69/45/1180106945.db2.gz CSWHPBJHNAHKOP-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001716788672 1180416039 /nfs/dbraw/zinc/41/60/39/1180416039.db2.gz QOTOGTUXBHKKSZ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001717240212 1180587368 /nfs/dbraw/zinc/58/73/68/1180587368.db2.gz OBAJZSFJKUCYSZ-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717751685 1180828237 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C=CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001507350942 975427558 /nfs/dbraw/zinc/42/75/58/975427558.db2.gz QXGALSUZUKOFTM-DZGCQCFKSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001382300464 977240242 /nfs/dbraw/zinc/24/02/42/977240242.db2.gz BTUVGUKGXMPLMM-QWHCGFSZSA-N 2 1 287.835 1.658 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001570216925 1170113350 /nfs/dbraw/zinc/11/33/50/1170113350.db2.gz QHRLQZNHYZHAQN-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570216925 1170113354 /nfs/dbraw/zinc/11/33/54/1170113354.db2.gz QHRLQZNHYZHAQN-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570216925 1170113357 /nfs/dbraw/zinc/11/33/57/1170113357.db2.gz QHRLQZNHYZHAQN-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001656903022 1171895580 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CDEEMP C=CCOCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000339055805 391247195 /nfs/dbraw/zinc/24/71/95/391247195.db2.gz JXSRVYVJMCHETL-SJPCQFCGSA-N 2 1 293.455 1.432 10 30 CDEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001664467252 1172857340 /nfs/dbraw/zinc/85/73/40/1172857340.db2.gz IARNPBBXJUDGHO-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001664667545 1172884045 /nfs/dbraw/zinc/88/40/45/1172884045.db2.gz MNZIRFHWHWFPCL-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001664667545 1172884054 /nfs/dbraw/zinc/88/40/54/1172884054.db2.gz MNZIRFHWHWFPCL-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001664667545 1172884061 /nfs/dbraw/zinc/88/40/61/1172884061.db2.gz MNZIRFHWHWFPCL-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP CCC[N@@H+](CCO)Cc1ccc(C#CC[NH3+])s1 ZINC000043683876 175092213 /nfs/dbraw/zinc/09/22/13/175092213.db2.gz LCJPBJCVCDCZLL-UHFFFAOYSA-N 2 1 252.383 1.263 10 30 CDEEMP C[N@H+]1CCCC[C@H]1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000044566229 175208408 /nfs/dbraw/zinc/20/84/08/175208408.db2.gz IBJRHPORFSYFRT-INIZCTEOSA-N 2 1 285.391 1.211 10 30 CDEEMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000071146849 176042693 /nfs/dbraw/zinc/04/26/93/176042693.db2.gz VHUDFQJULIKTPE-CQSZACIVSA-N 2 1 259.353 1.478 10 30 CDEEMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000071146849 176042694 /nfs/dbraw/zinc/04/26/94/176042694.db2.gz VHUDFQJULIKTPE-CQSZACIVSA-N 2 1 259.353 1.478 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CC)C2)CC1 ZINC000171721731 329079130 /nfs/dbraw/zinc/07/91/30/329079130.db2.gz GKXHDBOXVQQKHB-HNNXBMFYSA-N 2 1 294.443 1.420 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001691441649 1159221802 /nfs/dbraw/zinc/22/18/02/1159221802.db2.gz UGWHNWNQAZXVPD-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267320424 1159264759 /nfs/dbraw/zinc/26/47/59/1159264759.db2.gz JNELSWOQIIUGRH-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267320424 1159264763 /nfs/dbraw/zinc/26/47/63/1159264763.db2.gz JNELSWOQIIUGRH-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267320424 1159264769 /nfs/dbraw/zinc/26/47/69/1159264769.db2.gz JNELSWOQIIUGRH-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731807135 1159345292 /nfs/dbraw/zinc/34/52/92/1159345292.db2.gz NKPSMCMMCXRADM-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001731807135 1159345301 /nfs/dbraw/zinc/34/53/01/1159345301.db2.gz NKPSMCMMCXRADM-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001731807135 1159345309 /nfs/dbraw/zinc/34/53/09/1159345309.db2.gz NKPSMCMMCXRADM-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001698825576 1175951745 /nfs/dbraw/zinc/95/17/45/1175951745.db2.gz SYPFJDMMICJPHE-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267667239 1159562818 /nfs/dbraw/zinc/56/28/18/1159562818.db2.gz QJOHHYMIXVWKPF-KGLIPLIRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CCC[NH2+]1 ZINC000662804027 482430466 /nfs/dbraw/zinc/43/04/66/482430466.db2.gz NVZNMOFNDCAYCQ-YQQAZPJKSA-N 2 1 291.439 1.627 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001733336175 1161238146 /nfs/dbraw/zinc/23/81/46/1161238146.db2.gz RIFILJVAFQNXMO-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CC[NH3+])[C@@H]1CCSC1 ZINC000049608995 523360845 /nfs/dbraw/zinc/36/08/45/523360845.db2.gz IBWAEJAZTVJTPZ-OAHLLOKOSA-N 2 1 260.406 1.934 10 30 CDEEMP COc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1C#CC[NH3+] ZINC000049608440 524042111 /nfs/dbraw/zinc/04/21/11/524042111.db2.gz LLYRZQLGRYVEFX-KBPBESRZSA-N 2 1 288.391 1.615 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000764588413 575923567 /nfs/dbraw/zinc/92/35/67/575923567.db2.gz WFQYVFHMDTZKJR-CABCVRRESA-N 2 1 279.428 1.578 10 30 CDEEMP C#CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939237046 612975124 /nfs/dbraw/zinc/97/51/24/612975124.db2.gz UEMKPAJCZAABBS-KBPBESRZSA-N 2 1 288.395 1.076 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000899958834 622583436 /nfs/dbraw/zinc/58/34/36/622583436.db2.gz YLZIIMBXROTVEP-CYBMUJFWSA-N 2 1 279.384 1.506 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000908422695 628191453 /nfs/dbraw/zinc/19/14/53/628191453.db2.gz IJEOPAGYULMCQB-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C[C@@H](CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912508988 630048765 /nfs/dbraw/zinc/04/87/65/630048765.db2.gz UHYQSXYBWGEKIT-STQMWFEESA-N 2 1 284.448 1.449 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000912764517 630195329 /nfs/dbraw/zinc/19/53/29/630195329.db2.gz AEVKJFQRJQPPOD-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000917136339 632159392 /nfs/dbraw/zinc/15/93/92/632159392.db2.gz AJTMCWSCRQZFAI-OCCSQVGLSA-N 2 1 280.416 1.029 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001690991226 1158516954 /nfs/dbraw/zinc/51/69/54/1158516954.db2.gz SFKJFWNJAWRENM-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001690991226 1158516960 /nfs/dbraw/zinc/51/69/60/1158516960.db2.gz SFKJFWNJAWRENM-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001690991226 1158516963 /nfs/dbraw/zinc/51/69/63/1158516963.db2.gz SFKJFWNJAWRENM-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691043740 1158691434 /nfs/dbraw/zinc/69/14/34/1158691434.db2.gz WTOHTCDFERHYMZ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001691043740 1158691438 /nfs/dbraw/zinc/69/14/38/1158691438.db2.gz WTOHTCDFERHYMZ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001691043740 1158691442 /nfs/dbraw/zinc/69/14/42/1158691442.db2.gz WTOHTCDFERHYMZ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691395597 1159048667 /nfs/dbraw/zinc/04/86/67/1159048667.db2.gz LKVKBSVZCCWEIW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001267135338 1159132901 /nfs/dbraw/zinc/13/29/01/1159132901.db2.gz OFFUKIODBOCEER-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567146817 1168597654 /nfs/dbraw/zinc/59/76/54/1168597654.db2.gz JNVFTABUQPNHCH-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567281786 1168658240 /nfs/dbraw/zinc/65/82/40/1168658240.db2.gz GDHARHAAODWTTA-GDBMZVCRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001569492671 1169898390 /nfs/dbraw/zinc/89/83/90/1169898390.db2.gz GYSYEQZJHZZIMO-OAHLLOKOSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001570374671 1170147205 /nfs/dbraw/zinc/14/72/05/1170147205.db2.gz WGLVZLRMBWGTCV-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001570564154 1170191362 /nfs/dbraw/zinc/19/13/62/1170191362.db2.gz ONJRXCHSOUFOFL-GPANFISMSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001571638926 1170500991 /nfs/dbraw/zinc/50/09/91/1170500991.db2.gz BKGFSERGIBAXOB-CQSZACIVSA-N 2 1 281.444 1.470 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001656106421 1171768551 /nfs/dbraw/zinc/76/85/51/1171768551.db2.gz ZSVSGUZCSJHARL-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001656106421 1171768555 /nfs/dbraw/zinc/76/85/55/1171768555.db2.gz ZSVSGUZCSJHARL-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001656106421 1171768548 /nfs/dbraw/zinc/76/85/48/1171768548.db2.gz ZSVSGUZCSJHARL-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001662649073 1172575079 /nfs/dbraw/zinc/57/50/79/1172575079.db2.gz DQLOKAJYJSKJMX-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662728833 1172586948 /nfs/dbraw/zinc/58/69/48/1172586948.db2.gz SQFPSYQBPQNFFO-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001664829366 1172917064 /nfs/dbraw/zinc/91/70/64/1172917064.db2.gz BNNVPBBIFSINGB-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001665432433 1172995280 /nfs/dbraw/zinc/99/52/80/1172995280.db2.gz ANBMVWAWBRNELC-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC=C ZINC001668092560 1173367864 /nfs/dbraw/zinc/36/78/64/1173367864.db2.gz UOBDFVGYBNFISA-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC=C ZINC001668092560 1173367867 /nfs/dbraw/zinc/36/78/67/1173367867.db2.gz UOBDFVGYBNFISA-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)CCCC[NH+]1CCCC1 ZINC001675055252 1174071579 /nfs/dbraw/zinc/07/15/79/1174071579.db2.gz ZZWXGWKOHSSZDR-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001676179932 1174187160 /nfs/dbraw/zinc/18/71/60/1174187160.db2.gz CVTZQALENPWBFX-OAHLLOKOSA-N 2 1 281.444 1.470 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001676273101 1174199458 /nfs/dbraw/zinc/19/94/58/1174199458.db2.gz IFQNIJPNOIVRML-HZPDHXFCSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001690537013 1175490704 /nfs/dbraw/zinc/49/07/04/1175490704.db2.gz JXKYIMWLQSYEMG-UHFFFAOYSA-N 2 1 290.411 1.785 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001690576555 1175509524 /nfs/dbraw/zinc/50/95/24/1175509524.db2.gz DBFPOPZWGAADEN-CHWSQXEVSA-N 2 1 276.384 1.124 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001690596707 1175516534 /nfs/dbraw/zinc/51/65/34/1175516534.db2.gz YDMDRZVVDDUQJS-NSHDSACASA-N 2 1 280.372 1.020 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690849504 1175591274 /nfs/dbraw/zinc/59/12/74/1175591274.db2.gz DLMIHKIKZBDLLI-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001690866905 1175594502 /nfs/dbraw/zinc/59/45/02/1175594502.db2.gz FFOAVWPPYFCPGU-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001698551555 1175835250 /nfs/dbraw/zinc/83/52/50/1175835250.db2.gz DOHNTWNRXZLLOP-CABCVRRESA-N 2 1 299.434 1.823 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C/Cl ZINC001698603026 1175868172 /nfs/dbraw/zinc/86/81/72/1175868172.db2.gz UNZQEOJZPDQOON-RNUUNTDPSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]C/C=C/Cl ZINC001698603026 1175868177 /nfs/dbraw/zinc/86/81/77/1175868177.db2.gz UNZQEOJZPDQOON-RNUUNTDPSA-N 2 1 297.830 1.321 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001698619255 1175874739 /nfs/dbraw/zinc/87/47/39/1175874739.db2.gz MEBBIWXOOBGKQV-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001698620646 1175874849 /nfs/dbraw/zinc/87/48/49/1175874849.db2.gz HHTSKXLYTNACHY-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001698712954 1175901301 /nfs/dbraw/zinc/90/13/01/1175901301.db2.gz IAEQJILJUBKLPF-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001698878963 1175975922 /nfs/dbraw/zinc/97/59/22/1175975922.db2.gz LIIYTAQOZLCDRJ-JKSUJKDBSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699750655 1176605728 /nfs/dbraw/zinc/60/57/28/1176605728.db2.gz MZAUMGMZPWGSIG-HUUCEWRRSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001699836480 1176650217 /nfs/dbraw/zinc/65/02/17/1176650217.db2.gz IZMICJIGJNPSEO-INMHGKMJSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015529 1176718770 /nfs/dbraw/zinc/71/87/70/1176718770.db2.gz DPFXIKIVALURMB-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001700015529 1176718774 /nfs/dbraw/zinc/71/87/74/1176718774.db2.gz DPFXIKIVALURMB-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001700015529 1176718781 /nfs/dbraw/zinc/71/87/81/1176718781.db2.gz DPFXIKIVALURMB-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001700187143 1176791581 /nfs/dbraw/zinc/79/15/81/1176791581.db2.gz JTHWAJFQFPJITA-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001700187143 1176791587 /nfs/dbraw/zinc/79/15/87/1176791587.db2.gz JTHWAJFQFPJITA-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001700187143 1176791593 /nfs/dbraw/zinc/79/15/93/1176791593.db2.gz JTHWAJFQFPJITA-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713172787 1178412743 /nfs/dbraw/zinc/41/27/43/1178412743.db2.gz GGGLWUMRZZNXDO-VGWMRTNUSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001713343811 1178511266 /nfs/dbraw/zinc/51/12/66/1178511266.db2.gz BMGFJXHYDZICOP-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379952 1178529794 /nfs/dbraw/zinc/52/97/94/1178529794.db2.gz YBWWQLZDAHHJLU-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001714049061 1178947048 /nfs/dbraw/zinc/94/70/48/1178947048.db2.gz GPFPRHHOOPHWLB-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714067128 1178957280 /nfs/dbraw/zinc/95/72/80/1178957280.db2.gz OMZGABWVUDFSAP-RBSFLKMASA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714614134 1179268259 /nfs/dbraw/zinc/26/82/59/1179268259.db2.gz IPCIIPSQLISWBF-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714614134 1179268264 /nfs/dbraw/zinc/26/82/64/1179268264.db2.gz IPCIIPSQLISWBF-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714614134 1179268270 /nfs/dbraw/zinc/26/82/70/1179268270.db2.gz IPCIIPSQLISWBF-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714635664 1179286445 /nfs/dbraw/zinc/28/64/45/1179286445.db2.gz PERBLTXVBYLTRO-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001714816869 1179410195 /nfs/dbraw/zinc/41/01/95/1179410195.db2.gz RUCZFGJPQZXYJK-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[N@@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001714820915 1179411032 /nfs/dbraw/zinc/41/10/32/1179411032.db2.gz UJTSYAXGMQLOGA-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[N@H+](CCCNC(=O)[C@H]1C[NH+](C)CCO1)C(C)C ZINC001714820915 1179411034 /nfs/dbraw/zinc/41/10/34/1179411034.db2.gz UJTSYAXGMQLOGA-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001714820915 1179411035 /nfs/dbraw/zinc/41/10/35/1179411035.db2.gz UJTSYAXGMQLOGA-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001714820915 1179411037 /nfs/dbraw/zinc/41/10/37/1179411037.db2.gz UJTSYAXGMQLOGA-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001714901957 1179445813 /nfs/dbraw/zinc/44/58/13/1179445813.db2.gz CAHQQJRICLLMDD-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001714901957 1179445815 /nfs/dbraw/zinc/44/58/15/1179445815.db2.gz CAHQQJRICLLMDD-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001714901957 1179445817 /nfs/dbraw/zinc/44/58/17/1179445817.db2.gz CAHQQJRICLLMDD-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001715350688 1179637392 /nfs/dbraw/zinc/63/73/92/1179637392.db2.gz ULUNLXACFAGJNG-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001715371695 1179646772 /nfs/dbraw/zinc/64/67/72/1179646772.db2.gz ZWLWBUOQRYENIZ-CYBMUJFWSA-N 2 1 278.400 1.629 10 30 CDEEMP C=CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001716051055 1180022690 /nfs/dbraw/zinc/02/26/90/1180022690.db2.gz LRJIPPHZJPCLFV-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001716051055 1180022697 /nfs/dbraw/zinc/02/26/97/1180022697.db2.gz LRJIPPHZJPCLFV-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001716051055 1180022701 /nfs/dbraw/zinc/02/27/01/1180022701.db2.gz LRJIPPHZJPCLFV-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001717514462 1180719715 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CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001717862047 1180900929 /nfs/dbraw/zinc/90/09/29/1180900929.db2.gz DZMQHDSEVLHSAH-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724539221 1181692337 /nfs/dbraw/zinc/69/23/37/1181692337.db2.gz JVRJZLSUSKCMET-LSDHHAIUSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001724551322 1181694055 /nfs/dbraw/zinc/69/40/55/1181694055.db2.gz AKDRPINIMSMCPR-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001724551323 1181694064 /nfs/dbraw/zinc/69/40/64/1181694064.db2.gz AKDRPINIMSMCPR-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001724754085 1181739377 /nfs/dbraw/zinc/73/93/77/1181739377.db2.gz GJYRSSNMGULKOH-SHTZXODSSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[C@H](C)n2ccnc2)CC1 ZINC001724848578 1181771761 /nfs/dbraw/zinc/77/17/61/1181771761.db2.gz NROBWVKERMFQHF-GJZGRUSLSA-N 2 1 290.411 1.991 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001725358272 1181972708 /nfs/dbraw/zinc/97/27/08/1181972708.db2.gz KTVUFRHEHCVXFK-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001725445948 1182003718 /nfs/dbraw/zinc/00/37/18/1182003718.db2.gz KFNFUGPAKYTGNQ-JKSUJKDBSA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001731317022 1182314161 /nfs/dbraw/zinc/31/41/61/1182314161.db2.gz YPWNPENPBGAZJO-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(C)C)C1CC1 ZINC001731393765 1182357212 /nfs/dbraw/zinc/35/72/12/1182357212.db2.gz AYCBFGICLNBAPF-CVEARBPZSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(C)C)C1CC1 ZINC001731393765 1182357216 /nfs/dbraw/zinc/35/72/16/1182357216.db2.gz AYCBFGICLNBAPF-CVEARBPZSA-N 2 1 291.439 1.224 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001731543467 1182443010 /nfs/dbraw/zinc/44/30/10/1182443010.db2.gz RZZJDIKQQIYFDL-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001732101149 1182768587 /nfs/dbraw/zinc/76/85/87/1182768587.db2.gz JXYMIXLHFNWFQL-UMVBOHGHSA-N 2 1 279.428 1.482 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001732174187 1182831534 /nfs/dbraw/zinc/83/15/34/1182831534.db2.gz VORSZYYERYYDGW-LSDHHAIUSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001732623596 1183052384 /nfs/dbraw/zinc/05/23/84/1183052384.db2.gz DARUCBBLEGLSMX-GJZGRUSLSA-N 2 1 288.395 1.089 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733413420 1183425911 /nfs/dbraw/zinc/42/59/11/1183425911.db2.gz RNYSXBCPGDDQNN-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001733413420 1183425912 /nfs/dbraw/zinc/42/59/12/1183425912.db2.gz RNYSXBCPGDDQNN-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001733413420 1183425913 /nfs/dbraw/zinc/42/59/13/1183425913.db2.gz RNYSXBCPGDDQNN-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413009 1183425999 /nfs/dbraw/zinc/42/59/99/1183425999.db2.gz SWAXFDDOSVBENQ-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000305778622 782431308 /nfs/dbraw/zinc/43/13/08/782431308.db2.gz QWYUOIVVPZMEQZ-CYBMUJFWSA-N 2 1 295.818 1.624 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1coc(C#N)c1 ZINC000869236943 783124259 /nfs/dbraw/zinc/12/42/59/783124259.db2.gz NDJOYMNEJAJDDP-LBPRGKRZSA-N 2 1 292.383 1.153 10 30 CDEEMP C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878523750 781004832 /nfs/dbraw/zinc/00/48/32/781004832.db2.gz HZLJSRWOLGAESQ-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878523750 781004843 /nfs/dbraw/zinc/00/48/43/781004843.db2.gz HZLJSRWOLGAESQ-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709383 781076632 /nfs/dbraw/zinc/07/66/32/781076632.db2.gz XACQRUCUWFQTKA-BBRMVZONSA-N 2 1 279.428 1.470 10 30 CDEEMP CCC[N@H+]1CC[C@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303864744 781095858 /nfs/dbraw/zinc/09/58/58/781095858.db2.gz BEFQVWVSHFAMIR-CYBMUJFWSA-N 2 1 266.433 1.955 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000836215698 781117315 /nfs/dbraw/zinc/11/73/15/781117315.db2.gz DOYGHXRACMMQAD-OAHLLOKOSA-N 2 1 294.443 1.115 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000836215698 781117327 /nfs/dbraw/zinc/11/73/27/781117327.db2.gz DOYGHXRACMMQAD-OAHLLOKOSA-N 2 1 294.443 1.115 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000836215698 781117331 /nfs/dbraw/zinc/11/73/31/781117331.db2.gz DOYGHXRACMMQAD-OAHLLOKOSA-N 2 1 294.443 1.115 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001571408677 1167595002 /nfs/dbraw/zinc/59/50/02/1167595002.db2.gz WHDSDHXBLSJJHZ-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516138 1168318156 /nfs/dbraw/zinc/31/81/56/1168318156.db2.gz AIOYLLOCUCTLGC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001566516138 1168318162 /nfs/dbraw/zinc/31/81/62/1168318162.db2.gz AIOYLLOCUCTLGC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001566516138 1168318165 /nfs/dbraw/zinc/31/81/65/1168318165.db2.gz AIOYLLOCUCTLGC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516719 1168318889 /nfs/dbraw/zinc/31/88/89/1168318889.db2.gz VUSNEVFEZUGVRP-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001566516719 1168318895 /nfs/dbraw/zinc/31/88/95/1168318895.db2.gz VUSNEVFEZUGVRP-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001566516719 1168318898 /nfs/dbraw/zinc/31/88/98/1168318898.db2.gz VUSNEVFEZUGVRP-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001566566584 1168339374 /nfs/dbraw/zinc/33/93/74/1168339374.db2.gz GFBQMTGIAWIIIV-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001566814026 1168432274 /nfs/dbraw/zinc/43/22/74/1168432274.db2.gz VQCHOYJWPBJLNB-BIQWYFBQSA-N 2 1 277.412 1.119 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566871614 1168454198 /nfs/dbraw/zinc/45/41/98/1168454198.db2.gz HEWRKYKLCDXEIS-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272563569 913448581 /nfs/dbraw/zinc/44/85/81/913448581.db2.gz CGMCTYHCDCMUSB-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@H+](CC)CCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001266440008 894907663 /nfs/dbraw/zinc/90/76/63/894907663.db2.gz CKOKFQYKTMIEBG-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001266440008 894907669 /nfs/dbraw/zinc/90/76/69/894907669.db2.gz CKOKFQYKTMIEBG-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001266440008 894907679 /nfs/dbraw/zinc/90/76/79/894907679.db2.gz CKOKFQYKTMIEBG-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001266440008 894907687 /nfs/dbraw/zinc/90/76/87/894907687.db2.gz CKOKFQYKTMIEBG-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267024973 896588142 /nfs/dbraw/zinc/58/81/42/896588142.db2.gz BOGFIVTYULJYFR-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267044417 896627554 /nfs/dbraw/zinc/62/75/54/896627554.db2.gz RBEWTEDIJGEOOK-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001279587903 896947554 /nfs/dbraw/zinc/94/75/54/896947554.db2.gz OTSSJFOPXBPRRI-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001279587903 896947560 /nfs/dbraw/zinc/94/75/60/896947560.db2.gz OTSSJFOPXBPRRI-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001279587903 896947568 /nfs/dbraw/zinc/94/75/68/896947568.db2.gz OTSSJFOPXBPRRI-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CCN(C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267204554 897142233 /nfs/dbraw/zinc/14/22/33/897142233.db2.gz FMFLZFBGUBCALU-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001267204554 897142241 /nfs/dbraw/zinc/14/22/41/897142241.db2.gz FMFLZFBGUBCALU-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001267204554 897142250 /nfs/dbraw/zinc/14/22/50/897142250.db2.gz FMFLZFBGUBCALU-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001267204554 897142257 /nfs/dbraw/zinc/14/22/57/897142257.db2.gz FMFLZFBGUBCALU-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267204554 897142265 /nfs/dbraw/zinc/14/22/65/897142265.db2.gz FMFLZFBGUBCALU-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+](CC)CCNC(=O)CCCn1cc[nH+]c1C ZINC001267252691 897344202 /nfs/dbraw/zinc/34/42/02/897344202.db2.gz ZNPDQITYNHHDKI-UHFFFAOYSA-N 2 1 290.411 1.433 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)CCCn1cc[nH+]c1C ZINC001267252691 897344217 /nfs/dbraw/zinc/34/42/17/897344217.db2.gz ZNPDQITYNHHDKI-UHFFFAOYSA-N 2 1 290.411 1.433 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001267531523 898263961 /nfs/dbraw/zinc/26/39/61/898263961.db2.gz SVUQTDALIQVPKO-GDBMZVCRSA-N 2 1 291.439 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001481071244 898729447 /nfs/dbraw/zinc/72/94/47/898729447.db2.gz OWUKMAPYJYONGC-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267729176 899420099 /nfs/dbraw/zinc/42/00/99/899420099.db2.gz XVHXHAVDYFLTKL-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267729176 899420106 /nfs/dbraw/zinc/42/01/06/899420106.db2.gz XVHXHAVDYFLTKL-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267729176 899420119 /nfs/dbraw/zinc/42/01/19/899420119.db2.gz XVHXHAVDYFLTKL-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268004829 900258064 /nfs/dbraw/zinc/25/80/64/900258064.db2.gz IHKLKGBKGCBYLR-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268004830 900258216 /nfs/dbraw/zinc/25/82/16/900258216.db2.gz IHKLKGBKGCBYLR-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481438197 900666837 /nfs/dbraw/zinc/66/68/37/900666837.db2.gz MEUSOLACTPLNRY-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481438197 900666845 /nfs/dbraw/zinc/66/68/45/900666845.db2.gz MEUSOLACTPLNRY-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481438197 900666852 /nfs/dbraw/zinc/66/68/52/900666852.db2.gz MEUSOLACTPLNRY-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481493561 900917154 /nfs/dbraw/zinc/91/71/54/900917154.db2.gz BNJLLAQWHZOBQK-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481493561 900917159 /nfs/dbraw/zinc/91/71/59/900917159.db2.gz BNJLLAQWHZOBQK-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001481493561 900917168 /nfs/dbraw/zinc/91/71/68/900917168.db2.gz BNJLLAQWHZOBQK-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481536918 901105556 /nfs/dbraw/zinc/10/55/56/901105556.db2.gz VPGJSMUXPPHUIC-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001268205858 901568125 /nfs/dbraw/zinc/56/81/25/901568125.db2.gz SGLZQDCSKMYBNX-UONOGXRCSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001268218547 901592053 /nfs/dbraw/zinc/59/20/53/901592053.db2.gz JHQKNNCBAWXKJC-HZPDHXFCSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268522649 902501227 /nfs/dbraw/zinc/50/12/27/902501227.db2.gz MLANCYPFIPSETG-MFHOCJEASA-N 2 1 279.428 1.697 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482057444 902570723 /nfs/dbraw/zinc/57/07/23/902570723.db2.gz FYOXGKIBVNYTOD-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001268880016 903206891 /nfs/dbraw/zinc/20/68/91/903206891.db2.gz YMUOGKZUXKLEJH-UHFFFAOYSA-N 2 1 279.428 1.036 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001268880016 903206902 /nfs/dbraw/zinc/20/69/02/903206902.db2.gz YMUOGKZUXKLEJH-UHFFFAOYSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270050249 904307230 /nfs/dbraw/zinc/30/72/30/904307230.db2.gz KMJNGZZWWTXIMU-RBSFLKMASA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001270745264 905009090 /nfs/dbraw/zinc/00/90/90/905009090.db2.gz XUDBLFIIEXXYGN-WBVHZDCISA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001270819557 905091778 /nfs/dbraw/zinc/09/17/78/905091778.db2.gz SURPXXBEGPWNDA-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001482341384 905118106 /nfs/dbraw/zinc/11/81/06/905118106.db2.gz BRJYTBVDWZHLAK-CYBMUJFWSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001482607305 907877972 /nfs/dbraw/zinc/87/79/72/907877972.db2.gz BPEUVQLMPDWOII-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482607305 907877980 /nfs/dbraw/zinc/87/79/80/907877980.db2.gz BPEUVQLMPDWOII-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001482607305 907877992 /nfs/dbraw/zinc/87/79/92/907877992.db2.gz BPEUVQLMPDWOII-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483158149 909880021 /nfs/dbraw/zinc/88/00/21/909880021.db2.gz GQFQTMAIAKDYDJ-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001485177589 916627641 /nfs/dbraw/zinc/62/76/41/916627641.db2.gz QCZRDXGDDCNYOU-STQMWFEESA-N 2 1 264.373 1.250 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC=C ZINC001485253938 916695098 /nfs/dbraw/zinc/69/50/98/916695098.db2.gz KILKYJXORKLKKU-HNNXBMFYSA-N 2 1 291.439 1.344 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CC=C ZINC001485253938 916695105 /nfs/dbraw/zinc/69/51/05/916695105.db2.gz KILKYJXORKLKKU-HNNXBMFYSA-N 2 1 291.439 1.344 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001568246412 1169195569 /nfs/dbraw/zinc/19/55/69/1169195569.db2.gz IVILAPNTRHUTLA-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001486087692 920688062 /nfs/dbraw/zinc/68/80/62/920688062.db2.gz ARASSUNCPUJZQS-ZIAGYGMSSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133536 920738085 /nfs/dbraw/zinc/73/80/85/920738085.db2.gz DIGLIFBVABYXLV-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001493119244 925953589 /nfs/dbraw/zinc/95/35/89/925953589.db2.gz WDEXKYICMXFHKY-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001493119244 925953593 /nfs/dbraw/zinc/95/35/93/925953593.db2.gz WDEXKYICMXFHKY-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001490660632 927290540 /nfs/dbraw/zinc/29/05/40/927290540.db2.gz HGLIRFMHMYXXGQ-HZPDHXFCSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108361 930436672 /nfs/dbraw/zinc/43/66/72/930436672.db2.gz PZQRQZDPCIUDGW-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001274392863 931496705 /nfs/dbraw/zinc/49/67/05/931496705.db2.gz CBQUCUPLCDUZNC-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC ZINC001275648299 931927867 /nfs/dbraw/zinc/92/78/67/931927867.db2.gz IODTUEMLTGSRGY-GJZGRUSLSA-N 2 1 281.444 1.567 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001275828130 932073117 /nfs/dbraw/zinc/07/31/17/932073117.db2.gz SYAGCGJYMVCMNU-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001276034233 932254089 /nfs/dbraw/zinc/25/40/89/932254089.db2.gz KIYNUUQGSPZMRI-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C[C@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)=[NH+]1 ZINC000779802568 934715099 /nfs/dbraw/zinc/71/50/99/934715099.db2.gz ITWQIZRNGLPIJB-KBPBESRZSA-N 2 1 299.422 1.822 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001329515857 940185462 /nfs/dbraw/zinc/18/54/62/940185462.db2.gz PADBFONJLBBIHJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001329515857 940185464 /nfs/dbraw/zinc/18/54/64/940185464.db2.gz PADBFONJLBBIHJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001329515857 940185466 /nfs/dbraw/zinc/18/54/66/940185466.db2.gz PADBFONJLBBIHJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001329622697 940698012 /nfs/dbraw/zinc/69/80/12/940698012.db2.gz FJTAGYGTAXOIPZ-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001329622697 940698015 /nfs/dbraw/zinc/69/80/15/940698015.db2.gz FJTAGYGTAXOIPZ-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001329622697 940698017 /nfs/dbraw/zinc/69/80/17/940698017.db2.gz FJTAGYGTAXOIPZ-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276718012 940860142 /nfs/dbraw/zinc/86/01/42/940860142.db2.gz RUMPYVVDHNHQCZ-JONQDZQNSA-N 2 1 293.455 1.587 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001280440662 942443404 /nfs/dbraw/zinc/44/34/04/942443404.db2.gz FCIJBJYHVLGTTC-HZPDHXFCSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001280855460 942496943 /nfs/dbraw/zinc/49/69/43/942496943.db2.gz BFDGZUYQRRMFNC-UHFFFAOYSA-N 2 1 295.471 1.768 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001280855460 942496947 /nfs/dbraw/zinc/49/69/47/942496947.db2.gz BFDGZUYQRRMFNC-UHFFFAOYSA-N 2 1 295.471 1.768 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001280855460 942496950 /nfs/dbraw/zinc/49/69/50/942496950.db2.gz BFDGZUYQRRMFNC-UHFFFAOYSA-N 2 1 295.471 1.768 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001282425916 942710501 /nfs/dbraw/zinc/71/05/01/942710501.db2.gz SHHKXCQBLHOFLM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001282425916 942710506 /nfs/dbraw/zinc/71/05/06/942710506.db2.gz SHHKXCQBLHOFLM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001282425916 942710510 /nfs/dbraw/zinc/71/05/10/942710510.db2.gz SHHKXCQBLHOFLM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001284097429 943076848 /nfs/dbraw/zinc/07/68/48/943076848.db2.gz RBPWSOGENXBZLE-BZUAXINKSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001284976552 943306628 /nfs/dbraw/zinc/30/66/28/943306628.db2.gz JHFWBMGBADPZHW-UHFFFAOYSA-N 2 1 291.439 1.490 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157442 944091386 /nfs/dbraw/zinc/09/13/86/944091386.db2.gz GVYFCILCYHQYGG-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001264427165 944134025 /nfs/dbraw/zinc/13/40/25/944134025.db2.gz IUIQMFLKWFGSHQ-HDJSIYSDSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001265310698 944336914 /nfs/dbraw/zinc/33/69/14/944336914.db2.gz TWXQSUWSAQTFCD-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001265310698 944336921 /nfs/dbraw/zinc/33/69/21/944336921.db2.gz TWXQSUWSAQTFCD-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001265310698 944336930 /nfs/dbraw/zinc/33/69/30/944336930.db2.gz TWXQSUWSAQTFCD-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265590558 944440635 /nfs/dbraw/zinc/44/06/35/944440635.db2.gz CHXOQZUBPGORDB-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590558 944440637 /nfs/dbraw/zinc/44/06/37/944440637.db2.gz CHXOQZUBPGORDB-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590558 944440639 /nfs/dbraw/zinc/44/06/39/944440639.db2.gz CHXOQZUBPGORDB-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266029448 944642721 /nfs/dbraw/zinc/64/27/21/944642721.db2.gz QSACELYTGKXQED-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001266112297 944687410 /nfs/dbraw/zinc/68/74/10/944687410.db2.gz KPYDFONALCXRQO-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001479799243 971425921 /nfs/dbraw/zinc/42/59/21/971425921.db2.gz AUZNQXAMPUJEMR-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001479799243 971425926 /nfs/dbraw/zinc/42/59/26/971425926.db2.gz AUZNQXAMPUJEMR-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001278410687 947757810 /nfs/dbraw/zinc/75/78/10/947757810.db2.gz PFAIWJQWYKWFDQ-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480672487 971834051 /nfs/dbraw/zinc/83/40/51/971834051.db2.gz LHFSOWGIENOSKH-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001324658692 953499565 /nfs/dbraw/zinc/49/95/65/953499565.db2.gz WWMLMEXWHOUZLQ-GDBMZVCRSA-N 2 1 290.411 1.991 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001493061654 971935817 /nfs/dbraw/zinc/93/58/17/971935817.db2.gz HCWIKGUJVQVMMN-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001493146756 971960229 /nfs/dbraw/zinc/96/02/29/971960229.db2.gz IIASLLFPPVWIHM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001493146756 971960236 /nfs/dbraw/zinc/96/02/36/971960236.db2.gz IIASLLFPPVWIHM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001492084982 955646032 /nfs/dbraw/zinc/64/60/32/955646032.db2.gz HLOOIXLTXQLJAH-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001329278899 955793190 /nfs/dbraw/zinc/79/31/90/955793190.db2.gz SFFLWYHYPIPBRP-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001492450392 955893881 /nfs/dbraw/zinc/89/38/81/955893881.db2.gz PKAHSOAZWLBWAZ-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001492450392 955893893 /nfs/dbraw/zinc/89/38/93/955893893.db2.gz PKAHSOAZWLBWAZ-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001493998117 972157779 /nfs/dbraw/zinc/15/77/79/972157779.db2.gz UFLUCZQHRUBJOO-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001494077901 972171929 /nfs/dbraw/zinc/17/19/29/972171929.db2.gz CTEWWCWTDVJLJU-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001494077901 972171931 /nfs/dbraw/zinc/17/19/31/972171931.db2.gz CTEWWCWTDVJLJU-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CCC[N@@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045201 956786033 /nfs/dbraw/zinc/78/60/33/956786033.db2.gz OLAMITDDHCMEQR-UHFFFAOYSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001331045201 956786043 /nfs/dbraw/zinc/78/60/43/956786043.db2.gz OLAMITDDHCMEQR-UHFFFAOYSA-N 2 1 288.395 1.138 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001423583405 956877943 /nfs/dbraw/zinc/87/79/43/956877943.db2.gz JXDXUZKTMGHKEP-ZFWWWQNUSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001423583405 956877958 /nfs/dbraw/zinc/87/79/58/956877958.db2.gz JXDXUZKTMGHKEP-ZFWWWQNUSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001423583405 956877972 /nfs/dbraw/zinc/87/79/72/956877972.db2.gz JXDXUZKTMGHKEP-ZFWWWQNUSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001423583405 956877986 /nfs/dbraw/zinc/87/79/86/956877986.db2.gz JXDXUZKTMGHKEP-ZFWWWQNUSA-N 2 1 299.846 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/nfs/dbraw/zinc/39/82/14/391398214.db2.gz JDSVUPHDWFTOLH-XQLPTFJDSA-N 2 1 252.402 1.633 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001663668230 1172744840 /nfs/dbraw/zinc/74/48/40/1172744840.db2.gz ORPNHQBEAOPZFJ-UHFFFAOYSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001663744590 1172755269 /nfs/dbraw/zinc/75/52/69/1172755269.db2.gz VZKHGKOIBVDAJV-UHFFFAOYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001664836210 1172917980 /nfs/dbraw/zinc/91/79/80/1172917980.db2.gz QPWMHBHLAPUUST-JKSUJKDBSA-N 2 1 293.455 1.520 10 30 CDEEMP CN[C@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307903 175356115 /nfs/dbraw/zinc/35/61/15/175356115.db2.gz KURVRCRDLAEPDA-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP CN[C@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307903 175356117 /nfs/dbraw/zinc/35/61/17/175356117.db2.gz KURVRCRDLAEPDA-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP CN(Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190468 176066673 /nfs/dbraw/zinc/06/66/73/176066673.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 2 1 277.437 1.442 10 30 CDEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CC[NH+](C)C1 ZINC000071190468 176066674 /nfs/dbraw/zinc/06/66/74/176066674.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 3 1 277.437 1.442 10 30 CDEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CC[NH+](C)C1 ZINC000071190468 176066676 /nfs/dbraw/zinc/06/66/76/176066676.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190468 176066677 /nfs/dbraw/zinc/06/66/77/176066677.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190468 176066678 /nfs/dbraw/zinc/06/66/78/176066678.db2.gz BDWCJTSLGNDIEH-CQSZACIVSA-N 3 1 277.437 1.442 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001666162116 1173114396 /nfs/dbraw/zinc/11/43/96/1173114396.db2.gz KKBAXTIUNTZSAY-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001666379394 1173130475 /nfs/dbraw/zinc/13/04/75/1173130475.db2.gz MEUVFOKQJKJHAU-OAHLLOKOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001666708211 1173176547 /nfs/dbraw/zinc/17/65/47/1173176547.db2.gz LVBSSRKNDQSHAL-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOc1ccc(CNC[C@H]2C[NH2+]CCO2)cc1 ZINC000415095193 263272992 /nfs/dbraw/zinc/27/29/92/263272992.db2.gz LTOGWDLQYFJTID-OAHLLOKOSA-N 2 1 262.353 1.329 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001667100626 1173234353 /nfs/dbraw/zinc/23/43/53/1173234353.db2.gz GFDSMWBPGSNLFY-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001669904099 1173626285 /nfs/dbraw/zinc/62/62/85/1173626285.db2.gz GFKOKNNIURLIIP-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001671769184 1173710873 /nfs/dbraw/zinc/71/08/73/1173710873.db2.gz QAGQNAXWRJZYGC-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@H](COC)C1 ZINC000262487044 330016917 /nfs/dbraw/zinc/01/69/17/330016917.db2.gz SSRVNSSNMAJAPT-KGLIPLIRSA-N 2 1 282.432 1.014 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262760090 330029664 /nfs/dbraw/zinc/02/96/64/330029664.db2.gz CUOITYZYHIPEFV-WCQYABFASA-N 2 1 264.417 1.719 10 30 CDEEMP COC(C)(C)C[NH+](C)CC#CC[N@H+](C)CC(C)(C)OC ZINC000551387219 334248212 /nfs/dbraw/zinc/24/82/12/334248212.db2.gz YVRJSXVQMOFYES-UHFFFAOYSA-N 2 1 284.444 1.703 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001725196507 1159231303 /nfs/dbraw/zinc/23/13/03/1159231303.db2.gz QVPVMXACEICDSL-CQSZACIVSA-N 2 1 269.433 1.729 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001725196507 1159231306 /nfs/dbraw/zinc/23/13/06/1159231306.db2.gz QVPVMXACEICDSL-CQSZACIVSA-N 2 1 269.433 1.729 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001725196507 1159231310 /nfs/dbraw/zinc/23/13/10/1159231310.db2.gz QVPVMXACEICDSL-CQSZACIVSA-N 2 1 269.433 1.729 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001714597929 1179250939 /nfs/dbraw/zinc/25/09/39/1179250939.db2.gz UQEDLAXRNCMWTM-UHFFFAOYSA-N 2 1 265.401 1.096 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)CCCC[NH+](C)C ZINC001734062624 1183644799 /nfs/dbraw/zinc/64/47/99/1183644799.db2.gz TWMKJWUZHUCJKQ-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP CCN[C@](C#N)(C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083523 520223154 /nfs/dbraw/zinc/22/31/54/520223154.db2.gz KWPAMQCRLFVYFC-MRXNPFEDSA-N 2 1 278.444 1.542 10 30 CDEEMP CCN[C@](C#N)(C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083523 520223161 /nfs/dbraw/zinc/22/31/61/520223161.db2.gz KWPAMQCRLFVYFC-MRXNPFEDSA-N 2 1 278.444 1.542 10 30 CDEEMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609842 523517571 /nfs/dbraw/zinc/51/75/71/523517571.db2.gz IEMAHSFRXKIKNA-RHSMWYFYSA-N 2 1 272.392 1.996 10 30 CDEEMP C[N@H+]1CCCN(Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608763 523810803 /nfs/dbraw/zinc/81/08/03/523810803.db2.gz CXGXOACEKHNDIH-UHFFFAOYSA-N 2 1 275.371 1.273 10 30 CDEEMP C#CCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000766899671 576144301 /nfs/dbraw/zinc/14/43/01/576144301.db2.gz DCGJHNHTQQKQMZ-MRXNPFEDSA-N 2 1 263.429 1.502 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001689059466 1175090529 /nfs/dbraw/zinc/09/05/29/1175090529.db2.gz ZUZKZXYNAFYNIS-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218752 613785177 /nfs/dbraw/zinc/78/51/77/613785177.db2.gz YYVXXHGXGUPCHO-KBPBESRZSA-N 2 1 279.428 1.341 10 30 CDEEMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CNCC3(CCOCC3)C2)C1 ZINC000925792099 617719014 /nfs/dbraw/zinc/71/90/14/617719014.db2.gz OVMQDNMAQGEXOP-RBSFLKMASA-N 2 1 277.412 1.817 10 30 CDEEMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925792099 617719019 /nfs/dbraw/zinc/71/90/19/617719019.db2.gz OVMQDNMAQGEXOP-RBSFLKMASA-N 2 1 277.412 1.817 10 30 CDEEMP N#C[C@@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925848081 617884373 /nfs/dbraw/zinc/88/43/73/617884373.db2.gz ZTSNHJXKOVRNNP-HZPDHXFCSA-N 2 1 278.444 1.734 10 30 CDEEMP C=CC[C@@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494352 626011382 /nfs/dbraw/zinc/01/13/82/626011382.db2.gz DJKIFLXASNDELY-CZXHOFHRSA-N 2 1 252.358 1.163 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000908503845 628247328 /nfs/dbraw/zinc/24/73/28/628247328.db2.gz QGMZQOQOHNTAGO-CYBMUJFWSA-N 2 1 279.428 1.437 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000157364112 630595640 /nfs/dbraw/zinc/59/56/40/630595640.db2.gz RFTJSALRZUGQHL-GJZGRUSLSA-N 2 1 296.459 1.438 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001691980049 1158533941 /nfs/dbraw/zinc/53/39/41/1158533941.db2.gz WDEDCHYLPHQLQY-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469711 1158613369 /nfs/dbraw/zinc/61/33/69/1158613369.db2.gz KVWIMVHESIQFPV-HUUCEWRRSA-N 2 1 279.428 1.530 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001670478210 1158617100 /nfs/dbraw/zinc/61/71/00/1158617100.db2.gz BZZHGQOQASEVCJ-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691040456 1158669469 /nfs/dbraw/zinc/66/94/69/1158669469.db2.gz LVVILKOSDUDNQN-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691040456 1158669471 /nfs/dbraw/zinc/66/94/71/1158669471.db2.gz LVVILKOSDUDNQN-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001691040456 1158669472 /nfs/dbraw/zinc/66/94/72/1158669472.db2.gz LVVILKOSDUDNQN-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001266619777 1158699795 /nfs/dbraw/zinc/69/97/95/1158699795.db2.gz ACFCARKQTJRAGV-IHRRRGAJSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691097710 1158907842 /nfs/dbraw/zinc/90/78/42/1158907842.db2.gz QTKCNKWJNNETKN-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691097710 1158907846 /nfs/dbraw/zinc/90/78/46/1158907846.db2.gz QTKCNKWJNNETKN-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691097710 1158907852 /nfs/dbraw/zinc/90/78/52/1158907852.db2.gz QTKCNKWJNNETKN-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691095515 1158906523 /nfs/dbraw/zinc/90/65/23/1158906523.db2.gz APLHWSAOVXABCN-XHSDSOJGSA-N 2 1 291.439 1.367 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001266859337 1158914198 /nfs/dbraw/zinc/91/41/98/1158914198.db2.gz XQFSDRDAMRDINM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001266859337 1158914202 /nfs/dbraw/zinc/91/42/02/1158914202.db2.gz XQFSDRDAMRDINM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001266859337 1158914206 /nfs/dbraw/zinc/91/42/06/1158914206.db2.gz XQFSDRDAMRDINM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001270913497 1160228141 /nfs/dbraw/zinc/22/81/41/1160228141.db2.gz JXJWMNDNFSOLDF-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000876723213 1165900803 /nfs/dbraw/zinc/90/08/03/1165900803.db2.gz PZDWRYWXLQYCGW-CMPLNLGQSA-N 2 1 273.808 1.304 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000876775404 1165914492 /nfs/dbraw/zinc/91/44/92/1165914492.db2.gz AOWZBMXVAMBOEQ-SNVBAGLBSA-N 2 1 268.748 1.556 10 30 CDEEMP C=CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000878198596 1166158748 /nfs/dbraw/zinc/15/87/48/1166158748.db2.gz NMRQRLQMFCLCNL-KGLIPLIRSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CCNC(=O)CC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879202115 1166312085 /nfs/dbraw/zinc/31/20/85/1166312085.db2.gz COZMYRARSSQIAO-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC001637612115 1166772808 /nfs/dbraw/zinc/77/28/08/1166772808.db2.gz IVFYEHSXQQTTLW-CHWSQXEVSA-N 2 1 253.390 1.045 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001568433592 1169284209 /nfs/dbraw/zinc/28/42/09/1169284209.db2.gz DFSRAUHHNFWTDA-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568851871 1169518085 /nfs/dbraw/zinc/51/80/85/1169518085.db2.gz NPXMRPSBOMOROO-JLVOYYQZSA-N 2 1 265.401 1.165 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CC1 ZINC001569122121 1169670728 /nfs/dbraw/zinc/67/07/28/1169670728.db2.gz WMOLWHATHDNZEJ-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC1CC1 ZINC001569122121 1169670731 /nfs/dbraw/zinc/67/07/31/1169670731.db2.gz WMOLWHATHDNZEJ-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CC1 ZINC001569122121 1169670737 /nfs/dbraw/zinc/67/07/37/1169670737.db2.gz WMOLWHATHDNZEJ-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CC1 ZINC001569122121 1169670742 /nfs/dbraw/zinc/67/07/42/1169670742.db2.gz WMOLWHATHDNZEJ-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381268 1169831028 /nfs/dbraw/zinc/83/10/28/1169831028.db2.gz LOBCLDAPTLGLIW-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001569821827 1170005868 /nfs/dbraw/zinc/00/58/68/1170005868.db2.gz SXENSCDFGOTAIW-CABCVRRESA-N 2 1 293.455 1.424 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001570639390 1170219889 /nfs/dbraw/zinc/21/98/89/1170219889.db2.gz MYDRSMRYYABFLG-QWHCGFSZSA-N 2 1 276.384 1.088 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC(C)C ZINC001662245106 1172516068 /nfs/dbraw/zinc/51/60/68/1172516068.db2.gz VWENDQKKJQEBGS-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC(C)C ZINC001662245106 1172516072 /nfs/dbraw/zinc/51/60/72/1172516072.db2.gz VWENDQKKJQEBGS-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001664370074 1172845870 /nfs/dbraw/zinc/84/58/70/1172845870.db2.gz WNVAWGXANNXZSI-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001666245394 1173120276 /nfs/dbraw/zinc/12/02/76/1173120276.db2.gz YDJSOXINCHAQQF-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584453 1173294329 /nfs/dbraw/zinc/29/43/29/1173294329.db2.gz ANSACHJHHGINTR-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584453 1173294336 /nfs/dbraw/zinc/29/43/36/1173294336.db2.gz ANSACHJHHGINTR-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001690955221 1175626065 /nfs/dbraw/zinc/62/60/65/1175626065.db2.gz NUUFWTKUYMLUBA-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690955221 1175626071 /nfs/dbraw/zinc/62/60/71/1175626071.db2.gz NUUFWTKUYMLUBA-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001690955221 1175626078 /nfs/dbraw/zinc/62/60/78/1175626078.db2.gz NUUFWTKUYMLUBA-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001692256240 1175712272 /nfs/dbraw/zinc/71/22/72/1175712272.db2.gz XBMDJMRRCAJYTB-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001692256240 1175712277 /nfs/dbraw/zinc/71/22/77/1175712277.db2.gz XBMDJMRRCAJYTB-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001698709117 1175900315 /nfs/dbraw/zinc/90/03/15/1175900315.db2.gz CPUUDKDIVGDVIK-SHTZXODSSA-N 2 1 288.395 1.232 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001698959081 1175994878 /nfs/dbraw/zinc/99/48/78/1175994878.db2.gz KQFMYNNWRZCQLE-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001698959081 1175994884 /nfs/dbraw/zinc/99/48/84/1175994884.db2.gz KQFMYNNWRZCQLE-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001699024068 1176047190 /nfs/dbraw/zinc/04/71/90/1176047190.db2.gz QERBMUQSMDGMDT-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1 ZINC001699267561 1176188238 /nfs/dbraw/zinc/18/82/38/1176188238.db2.gz KRLLBQRZLDMVJN-ARJAWSKDSA-N 2 1 285.819 1.485 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001699676485 1176567082 /nfs/dbraw/zinc/56/70/82/1176567082.db2.gz SSYZNHJZVWQYGU-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700355368 1176869764 /nfs/dbraw/zinc/86/97/64/1176869764.db2.gz HPDSUCXQRSGYKV-OAHLLOKOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001700358171 1176872711 /nfs/dbraw/zinc/87/27/11/1176872711.db2.gz UQMDDZLBXPJKON-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001700443401 1176931038 /nfs/dbraw/zinc/93/10/38/1176931038.db2.gz FQRFWLSUJPGQKA-UHFFFAOYSA-N 2 1 278.400 1.452 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001700475283 1176963085 /nfs/dbraw/zinc/96/30/85/1176963085.db2.gz WDFONIJJAOFDRF-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001700475283 1176963091 /nfs/dbraw/zinc/96/30/91/1176963091.db2.gz WDFONIJJAOFDRF-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001700475283 1176963101 /nfs/dbraw/zinc/96/31/01/1176963101.db2.gz WDFONIJJAOFDRF-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001700475284 1176964037 /nfs/dbraw/zinc/96/40/37/1176964037.db2.gz WDFONIJJAOFDRF-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001700475284 1176964042 /nfs/dbraw/zinc/96/40/42/1176964042.db2.gz WDFONIJJAOFDRF-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001700475284 1176964045 /nfs/dbraw/zinc/96/40/45/1176964045.db2.gz WDFONIJJAOFDRF-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001700614843 1177036735 /nfs/dbraw/zinc/03/67/35/1177036735.db2.gz GNWNEMRTHVFJSX-XHSDSOJGSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001700633265 1177046506 /nfs/dbraw/zinc/04/65/06/1177046506.db2.gz OYAUTCOZDDNLHW-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001700734587 1177099187 /nfs/dbraw/zinc/09/91/87/1177099187.db2.gz LSUZXXQRARVPDT-OAHLLOKOSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001701012898 1177238776 /nfs/dbraw/zinc/23/87/76/1177238776.db2.gz CEZDLXSDONOFSH-AWEZNQCLSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713551699 1178641279 /nfs/dbraw/zinc/64/12/79/1178641279.db2.gz XAQFEGOWOIZJMV-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001713556905 1178646050 /nfs/dbraw/zinc/64/60/50/1178646050.db2.gz DWDFYBBJJWTCPV-OAHLLOKOSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001713556905 1178646053 /nfs/dbraw/zinc/64/60/53/1178646053.db2.gz DWDFYBBJJWTCPV-OAHLLOKOSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001713556905 1178646054 /nfs/dbraw/zinc/64/60/54/1178646054.db2.gz DWDFYBBJJWTCPV-OAHLLOKOSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001713556905 1178646057 /nfs/dbraw/zinc/64/60/57/1178646057.db2.gz DWDFYBBJJWTCPV-OAHLLOKOSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001713771604 1178747262 /nfs/dbraw/zinc/74/72/62/1178747262.db2.gz NCTVOBCDAXTSIG-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001713771604 1178747267 /nfs/dbraw/zinc/74/72/67/1178747267.db2.gz NCTVOBCDAXTSIG-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001713771604 1178747269 /nfs/dbraw/zinc/74/72/69/1178747269.db2.gz NCTVOBCDAXTSIG-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001713824405 1178776824 /nfs/dbraw/zinc/77/68/24/1178776824.db2.gz DOHNTWNRXZLLOP-LSDHHAIUSA-N 2 1 299.434 1.823 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714003717 1178923221 /nfs/dbraw/zinc/92/32/21/1178923221.db2.gz KDPNOLASIJHENV-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001714822553 1179411059 /nfs/dbraw/zinc/41/10/59/1179411059.db2.gz RAMAXWYHDVSVBQ-INIZCTEOSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714894308 1179442587 /nfs/dbraw/zinc/44/25/87/1179442587.db2.gz GDTWBKSXIDKJNT-LSDHHAIUSA-N 2 1 299.434 1.633 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001715422914 1179662494 /nfs/dbraw/zinc/66/24/94/1179662494.db2.gz VOQWNXSIDWYACX-ZIAGYGMSSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715695906 1179767110 /nfs/dbraw/zinc/76/71/10/1179767110.db2.gz JOAQTHJRRLDKLR-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715979213 1179959914 /nfs/dbraw/zinc/95/99/14/1179959914.db2.gz MHAZKJXGMQUYAA-LBPRGKRZSA-N 2 1 253.390 1.141 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001716974203 1180487171 /nfs/dbraw/zinc/48/71/71/1180487171.db2.gz XGEAEKZMTJISEW-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCC1 ZINC001717152267 1180550028 /nfs/dbraw/zinc/55/00/28/1180550028.db2.gz VKFALYHZCKBYPW-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001717290976 1180606961 /nfs/dbraw/zinc/60/69/61/1180606961.db2.gz SNRBXGLYQJBJKW-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717459056 1180680563 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CDEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001717839932 1180889070 /nfs/dbraw/zinc/88/90/70/1180889070.db2.gz DVEWAYFEVXFZKW-GOEBONIOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001717839932 1180889082 /nfs/dbraw/zinc/88/90/82/1180889082.db2.gz DVEWAYFEVXFZKW-GOEBONIOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001717887727 1180914378 /nfs/dbraw/zinc/91/43/78/1180914378.db2.gz TWGFAZLYULPQDM-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001723857667 1181613362 /nfs/dbraw/zinc/61/33/62/1181613362.db2.gz MMXSTKCQTRBLQH-DZGCQCFKSA-N 2 1 288.395 1.184 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001725118078 1181871527 /nfs/dbraw/zinc/87/15/27/1181871527.db2.gz YPHNTDUTGPRAJX-GJZGRUSLSA-N 2 1 297.443 1.158 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001725397924 1181987466 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/nfs/dbraw/zinc/10/25/39/973102539.db2.gz UQAUZCVDHLGZOY-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001496797254 973102546 /nfs/dbraw/zinc/10/25/46/973102546.db2.gz UQAUZCVDHLGZOY-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001417982558 973514684 /nfs/dbraw/zinc/51/46/84/973514684.db2.gz JKDWXSHLZQYVPE-KBPBESRZSA-N 2 1 299.846 1.708 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001498832889 974071605 /nfs/dbraw/zinc/07/16/05/974071605.db2.gz QHRRQEVGSJYHFF-HZPDHXFCSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001499462039 974258041 /nfs/dbraw/zinc/25/80/41/974258041.db2.gz WXSIKAVJNFVQER-OKILXGFUSA-N 2 1 277.412 1.121 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271443 974413939 /nfs/dbraw/zinc/41/39/39/974413939.db2.gz FYPHARORUBMGSZ-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500347521 974426293 /nfs/dbraw/zinc/42/62/93/974426293.db2.gz HVZHKBMJALAWFW-NVXWUHKLSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001505443423 974880698 /nfs/dbraw/zinc/88/06/98/974880698.db2.gz JVMIQWZHPQLGKK-HRCADAONSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001505443423 974880700 /nfs/dbraw/zinc/88/07/00/974880700.db2.gz JVMIQWZHPQLGKK-HRCADAONSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001505443423 974880706 /nfs/dbraw/zinc/88/07/06/974880706.db2.gz JVMIQWZHPQLGKK-HRCADAONSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001505448290 974884145 /nfs/dbraw/zinc/88/41/45/974884145.db2.gz OIGAOFVPOPSTQT-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001506659960 975198888 /nfs/dbraw/zinc/19/88/88/975198888.db2.gz MBIMGTRDDUOZPZ-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507026229 975298188 /nfs/dbraw/zinc/29/81/88/975298188.db2.gz ARUOXRUFRJMBMI-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402673623 976436338 /nfs/dbraw/zinc/43/63/38/976436338.db2.gz CUIUEGFDSGKCHN-AWEZNQCLSA-N 2 1 299.846 1.663 10 30 CDEEMP C=C(Cl)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001402673623 976436342 /nfs/dbraw/zinc/43/63/42/976436342.db2.gz CUIUEGFDSGKCHN-AWEZNQCLSA-N 2 1 299.846 1.663 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001492963309 976666635 /nfs/dbraw/zinc/66/66/35/976666635.db2.gz YMACPCBDZOQJCW-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001492963309 976666639 /nfs/dbraw/zinc/66/66/39/976666639.db2.gz YMACPCBDZOQJCW-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001492963309 976666642 /nfs/dbraw/zinc/66/66/42/976666642.db2.gz YMACPCBDZOQJCW-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691752167 1174001062 /nfs/dbraw/zinc/00/10/62/1174001062.db2.gz BXRRIUVTZYWVJV-CAOSSQGBSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676817444 1174277255 /nfs/dbraw/zinc/27/72/55/1174277255.db2.gz YHPJZTKPYATLRX-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570275273 1170124695 /nfs/dbraw/zinc/12/46/95/1170124695.db2.gz TYMHGEIHEKOHPF-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571192700 1170344458 /nfs/dbraw/zinc/34/44/58/1170344458.db2.gz OKESPQIQLRCFMA-JONQDZQNSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001571638647 1170504699 /nfs/dbraw/zinc/50/46/99/1170504699.db2.gz VUEYJKJLTZPXKP-UONOGXRCSA-N 2 1 281.444 1.635 10 30 CDEEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440061 342906895 /nfs/dbraw/zinc/90/68/95/342906895.db2.gz YWXMLKQMEHWNOG-LSDHHAIUSA-N 2 1 294.443 1.730 10 30 CDEEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441302 342907543 /nfs/dbraw/zinc/90/75/43/342907543.db2.gz QPNGPHKHUIYCNY-UONOGXRCSA-N 2 1 280.416 1.244 10 30 CDEEMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594442005 342907840 /nfs/dbraw/zinc/90/78/40/342907840.db2.gz ZJEOYSSMVRPJDN-OCCSQVGLSA-N 2 1 291.399 1.355 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000595905661 343188514 /nfs/dbraw/zinc/18/85/14/343188514.db2.gz FJAWUADXLFIVBO-CQSZACIVSA-N 2 1 267.417 1.969 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000595905661 343188515 /nfs/dbraw/zinc/18/85/15/343188515.db2.gz FJAWUADXLFIVBO-CQSZACIVSA-N 2 1 267.417 1.969 10 30 CDEEMP Cc1ccc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1C#N ZINC000596361190 343310703 /nfs/dbraw/zinc/31/07/03/343310703.db2.gz QCMWCUBIFWKDSZ-AWEZNQCLSA-N 2 1 289.427 1.368 10 30 CDEEMP Cc1ccc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1C#N ZINC000596361190 343310705 /nfs/dbraw/zinc/31/07/05/343310705.db2.gz QCMWCUBIFWKDSZ-AWEZNQCLSA-N 2 1 289.427 1.368 10 30 CDEEMP C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507335 345679493 /nfs/dbraw/zinc/67/94/93/345679493.db2.gz RZWCIPUEDHRICS-CABCVRRESA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507335 345679497 /nfs/dbraw/zinc/67/94/97/345679497.db2.gz RZWCIPUEDHRICS-CABCVRRESA-N 2 1 283.460 1.977 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721405 357458822 /nfs/dbraw/zinc/45/88/22/357458822.db2.gz YFNQKIKCVBLJCH-IRXDYDNUSA-N 2 1 290.407 1.150 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721405 357458825 /nfs/dbraw/zinc/45/88/25/357458825.db2.gz YFNQKIKCVBLJCH-IRXDYDNUSA-N 2 1 290.407 1.150 10 30 CDEEMP COC[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1COC ZINC000671241959 541978462 /nfs/dbraw/zinc/97/84/62/541978462.db2.gz VMKTXMFDSKPEKU-HOTGVXAUSA-N 2 1 280.412 1.211 10 30 CDEEMP C[N@@H+]1C[C@H]2CN(CCOc3cccc(C#N)c3)C[C@H]2C1 ZINC000193605827 375880122 /nfs/dbraw/zinc/88/01/22/375880122.db2.gz IJWIQVJLDBJGTM-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605827 375880129 /nfs/dbraw/zinc/88/01/29/375880129.db2.gz IJWIQVJLDBJGTM-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605827 375880137 /nfs/dbraw/zinc/88/01/37/375880137.db2.gz IJWIQVJLDBJGTM-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193605827 375880143 /nfs/dbraw/zinc/88/01/43/375880143.db2.gz IJWIQVJLDBJGTM-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000133073472 377827736 /nfs/dbraw/zinc/82/77/36/377827736.db2.gz KFZAOCUPJGAEEG-LSDHHAIUSA-N 2 1 263.385 1.983 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001662631288 1172572454 /nfs/dbraw/zinc/57/24/54/1172572454.db2.gz WLWMGQMPJMLUBT-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338981985 391237963 /nfs/dbraw/zinc/23/79/63/391237963.db2.gz QVLKQBBRURWSPL-BRWVUGGUSA-N 2 1 290.455 1.781 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000338981985 391237965 /nfs/dbraw/zinc/23/79/65/391237965.db2.gz QVLKQBBRURWSPL-BRWVUGGUSA-N 2 1 290.455 1.781 10 30 CDEEMP N#CCCOCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000339139109 391256991 /nfs/dbraw/zinc/25/69/91/391256991.db2.gz AOKLCWNQDXPNJB-QZTJIDSGSA-N 2 1 299.418 1.980 10 30 CDEEMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000232315641 140222203 /nfs/dbraw/zinc/22/22/03/140222203.db2.gz LONKMPDBPXRIDZ-ZIAGYGMSSA-N 2 1 258.369 1.613 10 30 CDEEMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000232315641 140222204 /nfs/dbraw/zinc/22/22/04/140222204.db2.gz LONKMPDBPXRIDZ-ZIAGYGMSSA-N 2 1 258.369 1.613 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC001584670757 1172843863 /nfs/dbraw/zinc/84/38/63/1172843863.db2.gz HXXTTWQFAOACIT-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001664813012 1172914266 /nfs/dbraw/zinc/91/42/66/1172914266.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 1 288.395 1.146 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001664813012 1172914277 /nfs/dbraw/zinc/91/42/77/1172914277.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 1 288.395 1.146 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001664813012 1172914285 /nfs/dbraw/zinc/91/42/85/1172914285.db2.gz WSVXSSQDYULWFS-AWEZNQCLSA-N 2 1 288.395 1.146 10 30 CDEEMP C=CC[C@@]1(C(=O)N(C)CCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662802333 413517495 /nfs/dbraw/zinc/51/74/95/413517495.db2.gz YYAHZGPJESSYFR-INIZCTEOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@H+](C)C(C)C ZINC000662090111 414508086 /nfs/dbraw/zinc/50/80/86/414508086.db2.gz JOBBSBCNHREZTH-ZNMIVQPWSA-N 2 1 252.402 1.871 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C[NH+](C)C(C)C ZINC000662090111 414508090 /nfs/dbraw/zinc/50/80/90/414508090.db2.gz JOBBSBCNHREZTH-ZNMIVQPWSA-N 2 1 252.402 1.871 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C ZINC000662090111 414508094 /nfs/dbraw/zinc/50/80/94/414508094.db2.gz JOBBSBCNHREZTH-ZNMIVQPWSA-N 2 1 252.402 1.871 10 30 CDEEMP CCC[N@H+](CC(=O)NC)Cc1sccc1C#CC[NH3+] ZINC000043684079 175091683 /nfs/dbraw/zinc/09/16/83/175091683.db2.gz YYSUWVYEWYBHBL-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP CCC[N@@H+](CC(=O)NC)Cc1sccc1C#CC[NH3+] ZINC000043684079 175091685 /nfs/dbraw/zinc/09/16/85/175091685.db2.gz YYSUWVYEWYBHBL-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCC[C@H]1CO ZINC000043683944 175092257 /nfs/dbraw/zinc/09/22/57/175092257.db2.gz HTMPHFIBQBEBJK-LBPRGKRZSA-N 2 1 250.367 1.015 10 30 CDEEMP CC[NH+]1CCC([N@H+](C)CCCC[C@](C)(N)C#N)CC1 ZINC000045317170 175357833 /nfs/dbraw/zinc/35/78/33/175357833.db2.gz MDINZDJMNKEVCK-HNNXBMFYSA-N 2 1 266.433 1.814 10 30 CDEEMP CC[NH+]1CCC([N@@H+](C)CCCC[C@](C)(N)C#N)CC1 ZINC000045317170 175357834 /nfs/dbraw/zinc/35/78/34/175357834.db2.gz MDINZDJMNKEVCK-HNNXBMFYSA-N 2 1 266.433 1.814 10 30 CDEEMP COCC[N@H+](CCCC[C@](C)([NH3+])C#N)[C@@H](C)COC ZINC000045318882 175358822 /nfs/dbraw/zinc/35/88/22/175358822.db2.gz GHEPROXFGSWHKH-KBPBESRZSA-N 2 1 271.405 1.381 10 30 CDEEMP COCC[N@@H+](CCCC[C@](C)([NH3+])C#N)[C@@H](C)COC ZINC000045318882 175358824 /nfs/dbraw/zinc/35/88/24/175358824.db2.gz GHEPROXFGSWHKH-KBPBESRZSA-N 2 1 271.405 1.381 10 30 CDEEMP C[N@H+](Cc1cccc(C#CCO)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190504 176066492 /nfs/dbraw/zinc/06/64/92/176066492.db2.gz WHXBKRUGYKTAMF-QGZVFWFLSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1cccc(C#CCO)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190504 176066493 /nfs/dbraw/zinc/06/64/93/176066493.db2.gz WHXBKRUGYKTAMF-QGZVFWFLSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1cccc(C#CCO)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190504 176066494 /nfs/dbraw/zinc/06/64/94/176066494.db2.gz WHXBKRUGYKTAMF-QGZVFWFLSA-N 2 1 272.392 1.414 10 30 CDEEMP C=CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001666500976 1173138596 /nfs/dbraw/zinc/13/85/96/1173138596.db2.gz HEGULMVFNZFAMV-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001666500976 1173138600 /nfs/dbraw/zinc/13/86/00/1173138600.db2.gz HEGULMVFNZFAMV-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001666500976 1173138606 /nfs/dbraw/zinc/13/86/06/1173138606.db2.gz HEGULMVFNZFAMV-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001666553048 1173150161 /nfs/dbraw/zinc/15/01/61/1173150161.db2.gz NUVZSSOCISNNJO-HZSPNIEDSA-N 2 1 267.417 1.245 10 30 CDEEMP Cc1nccc(N2CC[NH+]([C@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000294638159 263165422 /nfs/dbraw/zinc/16/54/22/263165422.db2.gz PTPLZRYSDSZWIT-KGLIPLIRSA-N 2 1 271.368 1.599 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001667306253 1173251259 /nfs/dbraw/zinc/25/12/59/1173251259.db2.gz AWTOFMWAAIDJQI-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668904724 1173478059 /nfs/dbraw/zinc/47/80/59/1173478059.db2.gz GCDLMUYPJNSLNH-LLYBFZRZSA-N 2 1 279.428 1.555 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262476436 330016142 /nfs/dbraw/zinc/01/61/42/330016142.db2.gz QHKZFGCMXDBSFP-CABCVRRESA-N 2 1 296.459 1.532 10 30 CDEEMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262764315 330029998 /nfs/dbraw/zinc/02/99/98/330029998.db2.gz FIWICNCWUSFOEH-CYBMUJFWSA-N 2 1 264.417 1.721 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424167548 330309935 /nfs/dbraw/zinc/30/99/35/330309935.db2.gz CRCFYHXPJPBSCO-AJNGGQMLSA-N 2 1 250.386 1.794 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001700196392 1176795376 /nfs/dbraw/zinc/79/53/76/1176795376.db2.gz XULNZXLHZXPVLX-LSDHHAIUSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001700482089 1160680737 /nfs/dbraw/zinc/68/07/37/1160680737.db2.gz WQBZMPDDWUHHHO-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001700482089 1160680744 /nfs/dbraw/zinc/68/07/44/1160680744.db2.gz WQBZMPDDWUHHHO-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001717477643 1180695259 /nfs/dbraw/zinc/69/52/59/1180695259.db2.gz BLVDNFBNQHQYDW-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001717477643 1180695263 /nfs/dbraw/zinc/69/52/63/1180695263.db2.gz BLVDNFBNQHQYDW-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001717477643 1180695267 /nfs/dbraw/zinc/69/52/67/1180695267.db2.gz BLVDNFBNQHQYDW-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP CC[N@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609556 521376275 /nfs/dbraw/zinc/37/62/75/521376275.db2.gz XXJHRDJVHHWUDR-KRWDZBQOSA-N 2 1 272.392 1.998 10 30 CDEEMP CN(C)C[C@H]1CCC[N@@H+]1Cc1ccccc1C#CC[NH3+] ZINC000061652290 521872216 /nfs/dbraw/zinc/87/22/16/521872216.db2.gz SFQXJGRCXZGRPK-QGZVFWFLSA-N 2 1 271.408 1.523 10 30 CDEEMP CN(C)C[C@H]1CCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000061652290 521872222 /nfs/dbraw/zinc/87/22/22/521872222.db2.gz SFQXJGRCXZGRPK-QGZVFWFLSA-N 2 1 271.408 1.523 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001688876690 1175052172 /nfs/dbraw/zinc/05/21/72/1175052172.db2.gz CGVDWIDEVUUFKS-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690198007 1175401454 /nfs/dbraw/zinc/40/14/54/1175401454.db2.gz ZIUWAXOUFVLDGV-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001690198007 1175401459 /nfs/dbraw/zinc/40/14/59/1175401459.db2.gz ZIUWAXOUFVLDGV-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001690198007 1175401467 /nfs/dbraw/zinc/40/14/67/1175401467.db2.gz ZIUWAXOUFVLDGV-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618192 613580564 /nfs/dbraw/zinc/58/05/64/613580564.db2.gz QBHOGRPJCCIVSF-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618192 613580567 /nfs/dbraw/zinc/58/05/67/613580567.db2.gz QBHOGRPJCCIVSF-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618192 613580569 /nfs/dbraw/zinc/58/05/69/613580569.db2.gz QBHOGRPJCCIVSF-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000923363223 618322675 /nfs/dbraw/zinc/32/26/75/618322675.db2.gz AMKLQQQZIZGRFV-QLFBSQMISA-N 2 1 252.402 1.778 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000923424569 618329823 /nfs/dbraw/zinc/32/98/23/618329823.db2.gz GIIUVYMWTVDIOC-DCAQKATOSA-N 2 1 266.307 1.383 10 30 CDEEMP N#Cc1ccc([C@@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923427439 618334517 /nfs/dbraw/zinc/33/45/17/618334517.db2.gz SPQKCMVJCZDSNP-INIZCTEOSA-N 2 1 285.391 1.810 10 30 CDEEMP N#Cc1ccc([C@@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923427439 618334526 /nfs/dbraw/zinc/33/45/26/618334526.db2.gz SPQKCMVJCZDSNP-INIZCTEOSA-N 2 1 285.391 1.810 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000900427197 623038903 /nfs/dbraw/zinc/03/89/03/623038903.db2.gz VAVDUSUALKHMBR-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000900823061 623528656 /nfs/dbraw/zinc/52/86/56/623528656.db2.gz SIOJMCDXMIPSTJ-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000901284300 624109973 /nfs/dbraw/zinc/10/99/73/624109973.db2.gz ADFIONKAXPAIHF-CHWSQXEVSA-N 2 1 253.390 1.045 10 30 CDEEMP N#CC1CCC(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)CC1 ZINC000903422907 625993816 /nfs/dbraw/zinc/99/38/16/625993816.db2.gz MPTGGTZXIKRLPS-NRXISQOPSA-N 2 1 292.427 1.103 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903936128 626154660 /nfs/dbraw/zinc/15/46/60/626154660.db2.gz YNXLHEKFPMBYIH-ZIAGYGMSSA-N 2 1 275.400 1.601 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1c2ccccc2C[N@H+]1C ZINC000913757539 630745216 /nfs/dbraw/zinc/74/52/16/630745216.db2.gz PPVVJTYHWUAGFS-INIZCTEOSA-N 2 1 287.407 1.797 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1c2ccccc2C[N@@H+]1C ZINC000913757539 630745217 /nfs/dbraw/zinc/74/52/17/630745217.db2.gz PPVVJTYHWUAGFS-INIZCTEOSA-N 2 1 287.407 1.797 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001670556410 1158645094 /nfs/dbraw/zinc/64/50/94/1158645094.db2.gz LFNVHRWETQYBSL-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001670691641 1158693147 /nfs/dbraw/zinc/69/31/47/1158693147.db2.gz KUVANQHPCUFKCM-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001670691641 1158693155 /nfs/dbraw/zinc/69/31/55/1158693155.db2.gz KUVANQHPCUFKCM-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001670691641 1158693158 /nfs/dbraw/zinc/69/31/58/1158693158.db2.gz KUVANQHPCUFKCM-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001670691641 1158693165 /nfs/dbraw/zinc/69/31/65/1158693165.db2.gz KUVANQHPCUFKCM-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001670730464 1158753570 /nfs/dbraw/zinc/75/35/70/1158753570.db2.gz ZMKDRNFJKHUBQH-HUUCEWRRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001670730464 1158753575 /nfs/dbraw/zinc/75/35/75/1158753575.db2.gz ZMKDRNFJKHUBQH-HUUCEWRRSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001691150619 1158935631 /nfs/dbraw/zinc/93/56/31/1158935631.db2.gz RTKKTEIJZCUIIK-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691268277 1158985748 /nfs/dbraw/zinc/98/57/48/1158985748.db2.gz ISONOJISZPRAFV-ARFHVFGLSA-N 2 1 293.455 1.779 10 30 CDEEMP C[C@H]1C[C@@H](C(=O)N(CCC#N)CCC[NH+](C)C)CC[N@H+]1C ZINC000354817475 1167338327 /nfs/dbraw/zinc/33/83/27/1167338327.db2.gz YFOSWVXOYMDJCM-GJZGRUSLSA-N 2 1 294.443 1.411 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001566529744 1167973564 /nfs/dbraw/zinc/97/35/64/1167973564.db2.gz XIHYWMHBPXTOAY-CABCVRRESA-N 2 1 288.395 1.184 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001566712541 1168396283 /nfs/dbraw/zinc/39/62/83/1168396283.db2.gz LRCTVBIDYPVNNH-HRCADAONSA-N 2 1 293.455 1.777 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001566987695 1168489790 /nfs/dbraw/zinc/48/97/90/1168489790.db2.gz KOBBZJLZHRSQPB-FHERZECASA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH+]1CC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001569367067 1169806147 /nfs/dbraw/zinc/80/61/47/1169806147.db2.gz YUUJTSDNPIWKQT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001569367067 1169806165 /nfs/dbraw/zinc/80/61/65/1169806165.db2.gz YUUJTSDNPIWKQT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001569367067 1169806186 /nfs/dbraw/zinc/80/61/86/1169806186.db2.gz YUUJTSDNPIWKQT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001569367067 1169806205 /nfs/dbraw/zinc/80/62/05/1169806205.db2.gz YUUJTSDNPIWKQT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001569656010 1169955481 /nfs/dbraw/zinc/95/54/81/1169955481.db2.gz ZZDRLEBFOFWGQN-QGZVFWFLSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001570637250 1170219221 /nfs/dbraw/zinc/21/92/21/1170219221.db2.gz SSQZDOHNRMZZNR-KBPBESRZSA-N 2 1 290.411 1.513 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661817817 1172451235 /nfs/dbraw/zinc/45/12/35/1172451235.db2.gz CBAJEPFEJHVMBU-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001663985891 1172797603 /nfs/dbraw/zinc/79/76/03/1172797603.db2.gz PBUNGJGVSCEAPR-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP 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CDEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001700651738 1177058738 /nfs/dbraw/zinc/05/87/38/1177058738.db2.gz OPYFICHLANEIHS-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001707057169 1177930827 /nfs/dbraw/zinc/93/08/27/1177930827.db2.gz YMRKTGLQIPQLAT-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001707057169 1177930832 /nfs/dbraw/zinc/93/08/32/1177930832.db2.gz YMRKTGLQIPQLAT-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001707057169 1177930839 /nfs/dbraw/zinc/93/08/39/1177930839.db2.gz YMRKTGLQIPQLAT-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001707451979 1178054272 /nfs/dbraw/zinc/05/42/72/1178054272.db2.gz MVKXNNWENONEII-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[N@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001707454913 1178057263 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ZINC001713388674 1178532799 /nfs/dbraw/zinc/53/27/99/1178532799.db2.gz CNQHLLBQTMNTDK-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001713634160 1178690121 /nfs/dbraw/zinc/69/01/21/1178690121.db2.gz JSCCSBZJETVZHG-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)Cn1ccnc1C)C(C)C ZINC001713695265 1178713043 /nfs/dbraw/zinc/71/30/43/1178713043.db2.gz OMPIUCKYVGUVRE-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CCC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001713695265 1178713047 /nfs/dbraw/zinc/71/30/47/1178713047.db2.gz OMPIUCKYVGUVRE-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001713695265 1178713051 /nfs/dbraw/zinc/71/30/51/1178713051.db2.gz OMPIUCKYVGUVRE-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713755997 1178740397 /nfs/dbraw/zinc/74/03/97/1178740397.db2.gz LVAQKTCIPZXRQX-OAHLLOKOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001714050908 1178947368 /nfs/dbraw/zinc/94/73/68/1178947368.db2.gz WMCNKTHSQMTCDK-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001714050908 1178947372 /nfs/dbraw/zinc/94/73/72/1178947372.db2.gz WMCNKTHSQMTCDK-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001714050908 1178947375 /nfs/dbraw/zinc/94/73/75/1178947375.db2.gz WMCNKTHSQMTCDK-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001714286274 1179066130 /nfs/dbraw/zinc/06/61/30/1179066130.db2.gz LJGWAMWSWKYKJP-CYBMUJFWSA-N 2 1 299.378 1.551 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001714583487 1179241165 /nfs/dbraw/zinc/24/11/65/1179241165.db2.gz ALIXJVXBFROJMS-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714583487 1179241173 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CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501647205 974615345 /nfs/dbraw/zinc/61/53/45/974615345.db2.gz DOMJDCYEYHHXTQ-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001505438957 974878830 /nfs/dbraw/zinc/87/88/30/974878830.db2.gz RXUUEHDVXHNTBY-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001505438957 974878833 /nfs/dbraw/zinc/87/88/33/974878833.db2.gz RXUUEHDVXHNTBY-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001505443424 974881392 /nfs/dbraw/zinc/88/13/92/974881392.db2.gz JVMIQWZHPQLGKK-JYJNAYRXSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001505443424 974881397 /nfs/dbraw/zinc/88/13/97/974881397.db2.gz JVMIQWZHPQLGKK-JYJNAYRXSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001505443424 974881400 /nfs/dbraw/zinc/88/14/00/974881400.db2.gz JVMIQWZHPQLGKK-JYJNAYRXSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455777 974884918 /nfs/dbraw/zinc/88/49/18/974884918.db2.gz HWPWIUVSKDHZQV-CQSZACIVSA-N 2 1 277.412 1.191 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001507802486 975544870 /nfs/dbraw/zinc/54/48/70/975544870.db2.gz ULMFQIUEEFNZGO-MRXNPFEDSA-N 2 1 291.439 1.130 10 30 CDEEMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001569915596 1170036889 /nfs/dbraw/zinc/03/68/89/1170036889.db2.gz SOZKKZMYYRWEAT-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001569915596 1170036893 /nfs/dbraw/zinc/03/68/93/1170036893.db2.gz SOZKKZMYYRWEAT-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001569915596 1170036901 /nfs/dbraw/zinc/03/69/01/1170036901.db2.gz SOZKKZMYYRWEAT-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001570349018 1170139690 /nfs/dbraw/zinc/13/96/90/1170139690.db2.gz KLXZIITWTUJMLD-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001570661430 1170225376 /nfs/dbraw/zinc/22/53/76/1170225376.db2.gz YUBBPBYQXKUPAM-UHFFFAOYSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001570719704 1170252933 /nfs/dbraw/zinc/25/29/33/1170252933.db2.gz CTQXJTJJYOMCIF-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570719704 1170252936 /nfs/dbraw/zinc/25/29/36/1170252936.db2.gz CTQXJTJJYOMCIF-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570719704 1170252938 /nfs/dbraw/zinc/25/29/38/1170252938.db2.gz CTQXJTJJYOMCIF-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001571334122 1170371698 /nfs/dbraw/zinc/37/16/98/1170371698.db2.gz MPCCPRBYYQNGBB-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001571334122 1170371706 /nfs/dbraw/zinc/37/17/06/1170371706.db2.gz MPCCPRBYYQNGBB-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001571334122 1170371711 /nfs/dbraw/zinc/37/17/11/1170371711.db2.gz MPCCPRBYYQNGBB-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001571363618 1170385819 /nfs/dbraw/zinc/38/58/19/1170385819.db2.gz IALOQDTUGYEWJS-OAHLLOKOSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571650374 1170509227 /nfs/dbraw/zinc/50/92/27/1170509227.db2.gz POPVTLLQSLTVDY-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001571658653 1170512620 /nfs/dbraw/zinc/51/26/20/1170512620.db2.gz GNERDZRWMOCMKQ-PCKAHOCUSA-N 2 1 291.439 1.463 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441587 342907394 /nfs/dbraw/zinc/90/73/94/342907394.db2.gz SWBRDSATEQSUEW-LSDHHAIUSA-N 2 1 294.443 1.778 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000600715720 342244108 /nfs/dbraw/zinc/24/41/08/342244108.db2.gz HTNJTICWTVGNMH-MJBXVCDLSA-N 2 1 263.385 1.258 10 30 CDEEMP N#Cc1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864884 343175628 /nfs/dbraw/zinc/17/56/28/343175628.db2.gz WKCPEXQGZKMPPD-SFHVURJKSA-N 2 1 299.418 1.632 10 30 CDEEMP N#Cc1ccc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000595864884 343175631 /nfs/dbraw/zinc/17/56/31/343175631.db2.gz WKCPEXQGZKMPPD-SFHVURJKSA-N 2 1 299.418 1.632 10 30 CDEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000528390758 367821120 /nfs/dbraw/zinc/82/11/20/367821120.db2.gz XAANNYPOUSVOEM-GJZGRUSLSA-N 2 1 277.412 1.459 10 30 CDEEMP C[N@@H+](Cc1nc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000356219504 373832557 /nfs/dbraw/zinc/83/25/57/373832557.db2.gz GZBDCOSKOQHUBH-UHFFFAOYSA-N 2 1 264.398 1.788 10 30 CDEEMP C[N@H+](Cc1nc(C#N)cs1)CC1CC[NH+](C)CC1 ZINC000356219504 373832566 /nfs/dbraw/zinc/83/25/66/373832566.db2.gz GZBDCOSKOQHUBH-UHFFFAOYSA-N 2 1 264.398 1.788 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663524315 1172714748 /nfs/dbraw/zinc/71/47/48/1172714748.db2.gz XJSIKBICIGJFPW-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694942 413329464 /nfs/dbraw/zinc/32/94/64/413329464.db2.gz FAOVEBTXLQPOPD-BFYDXBDKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662732593 413398901 /nfs/dbraw/zinc/39/89/01/413398901.db2.gz YHZDJTUTPVGZKL-UMVBOHGHSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001665227385 1172965389 /nfs/dbraw/zinc/96/53/89/1172965389.db2.gz CURZBRVXVUFHRL-OLZOCXBDSA-N 2 1 265.401 1.093 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000043427216 175040458 /nfs/dbraw/zinc/04/04/58/175040458.db2.gz LPYVZNWYAGHFKL-DLBZAZTESA-N 2 1 270.376 1.750 10 30 CDEEMP CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684088 175092260 /nfs/dbraw/zinc/09/22/60/175092260.db2.gz YYMAYTGRRVYZNS-ZDUSSCGKSA-N 2 1 291.420 1.159 10 30 CDEEMP CNC(=O)[C@@H]1CCCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684088 175092261 /nfs/dbraw/zinc/09/22/61/175092261.db2.gz YYMAYTGRRVYZNS-ZDUSSCGKSA-N 2 1 291.420 1.159 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001666771935 1173182917 /nfs/dbraw/zinc/18/29/17/1173182917.db2.gz ISEIRRMAYXLXFM-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001667584516 1173293353 /nfs/dbraw/zinc/29/33/53/1173293353.db2.gz BLCVGNAYARVBEF-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001667584516 1173293360 /nfs/dbraw/zinc/29/33/60/1173293360.db2.gz BLCVGNAYARVBEF-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001667701757 1173311904 /nfs/dbraw/zinc/31/19/04/1173311904.db2.gz PNIHBZAJFHVYKM-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701757 1173311911 /nfs/dbraw/zinc/31/19/11/1173311911.db2.gz PNIHBZAJFHVYKM-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701757 1173311917 /nfs/dbraw/zinc/31/19/17/1173311917.db2.gz PNIHBZAJFHVYKM-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001667694080 1173312501 /nfs/dbraw/zinc/31/25/01/1173312501.db2.gz LOPLANZKKDGSED-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667694080 1173312509 /nfs/dbraw/zinc/31/25/09/1173312509.db2.gz LOPLANZKKDGSED-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667694080 1173312516 /nfs/dbraw/zinc/31/25/16/1173312516.db2.gz LOPLANZKKDGSED-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1CC1 ZINC001668455648 1173414765 /nfs/dbraw/zinc/41/47/65/1173414765.db2.gz NJTRKTFONXIYJF-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC1CC1 ZINC001668455648 1173414767 /nfs/dbraw/zinc/41/47/67/1173414767.db2.gz NJTRKTFONXIYJF-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001669069169 1173500664 /nfs/dbraw/zinc/50/06/64/1173500664.db2.gz DXZMLNBDVFVLPU-SREVYHEPSA-N 2 1 288.395 1.292 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001673449575 1173858949 /nfs/dbraw/zinc/85/89/49/1173858949.db2.gz GVZXOLANZXRJCY-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001267225963 1159191025 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C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001505456530 1160374824 /nfs/dbraw/zinc/37/48/24/1160374824.db2.gz XDCJJNAHPWSQAX-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001505456530 1160374830 /nfs/dbraw/zinc/37/48/30/1160374830.db2.gz XDCJJNAHPWSQAX-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001505456530 1160374836 /nfs/dbraw/zinc/37/48/36/1160374836.db2.gz XDCJJNAHPWSQAX-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001483257349 1160883072 /nfs/dbraw/zinc/88/30/72/1160883072.db2.gz AHLGZVSFVOJBLZ-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001713422619 1178553510 /nfs/dbraw/zinc/55/35/10/1178553510.db2.gz UCWIBWRKQIDOPH-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001715540259 1179709037 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280.460 1.929 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C[C@H]1CCCO1 ZINC000049609672 522904628 /nfs/dbraw/zinc/90/46/28/522904628.db2.gz JSOFONWZKRLFBO-QGZVFWFLSA-N 2 1 288.391 1.486 10 30 CDEEMP C#CC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105862822 526803226 /nfs/dbraw/zinc/80/32/26/526803226.db2.gz DVMMSEKXJDHDOW-SFHVURJKSA-N 2 1 286.419 1.997 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@H]2CO)c(F)c1 ZINC000049609788 527149353 /nfs/dbraw/zinc/14/93/53/527149353.db2.gz IPPVLWNHBAGVHV-HNNXBMFYSA-N 2 1 276.355 1.483 10 30 CDEEMP C#CCCCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000877610159 784567722 /nfs/dbraw/zinc/56/77/22/784567722.db2.gz GNZMLOBXXXXYBV-UHFFFAOYSA-N 2 1 279.428 1.276 10 30 CDEEMP C#CCCCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000877610159 784567744 /nfs/dbraw/zinc/56/77/44/784567744.db2.gz GNZMLOBXXXXYBV-UHFFFAOYSA-N 2 1 279.428 1.276 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001688888768 1175054708 /nfs/dbraw/zinc/05/47/08/1175054708.db2.gz NRTBIUPFOJLNHU-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001689869383 1175290576 /nfs/dbraw/zinc/29/05/76/1175290576.db2.gz IMRLOKQCEWJPGF-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427166 618333690 /nfs/dbraw/zinc/33/36/90/618333690.db2.gz HWRPBWIRZFJBDM-LSDHHAIUSA-N 2 1 252.402 1.779 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000900009421 622629703 /nfs/dbraw/zinc/62/97/03/622629703.db2.gz HRKOYTGJVSFDSA-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000901307479 624103802 /nfs/dbraw/zinc/10/38/02/624103802.db2.gz YRSCDDQCFNLTRU-UHFFFAOYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000908157971 628046933 /nfs/dbraw/zinc/04/69/33/628046933.db2.gz YKHYDNPGOQKKCW-YIONKMFJSA-N 2 1 279.428 1.578 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000876884205 630581625 /nfs/dbraw/zinc/58/16/25/630581625.db2.gz OHCUNWOMTHTSKS-USWWRNFRSA-N 2 1 273.808 1.255 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000876973316 630587811 /nfs/dbraw/zinc/58/78/11/630587811.db2.gz DCXJPJSZWSAVKP-WDEREUQCSA-N 2 1 259.781 1.057 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000913759225 630745609 /nfs/dbraw/zinc/74/56/09/630745609.db2.gz KKLPPAGKARRRGT-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001266896207 1158968325 /nfs/dbraw/zinc/96/83/25/1158968325.db2.gz XWIQMFRULMCZGB-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001691376818 1159043481 /nfs/dbraw/zinc/04/34/81/1159043481.db2.gz GBSNFBUMEDSQTB-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691417042 1159064550 /nfs/dbraw/zinc/06/45/50/1159064550.db2.gz STKLMBNKTIBLGW-CYBMUJFWSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691417042 1159064557 /nfs/dbraw/zinc/06/45/57/1159064557.db2.gz STKLMBNKTIBLGW-CYBMUJFWSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417042 1159064562 /nfs/dbraw/zinc/06/45/62/1159064562.db2.gz STKLMBNKTIBLGW-CYBMUJFWSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417042 1159064569 /nfs/dbraw/zinc/06/45/69/1159064569.db2.gz STKLMBNKTIBLGW-CYBMUJFWSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691170859 1158942828 /nfs/dbraw/zinc/94/28/28/1158942828.db2.gz IXFWBRMUVJUOQN-HNNXBMFYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001496821387 1160733281 /nfs/dbraw/zinc/73/32/81/1160733281.db2.gz IZXCDHBKOYKEHB-AWEZNQCLSA-N 2 1 269.433 1.683 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000876883475 1165933434 /nfs/dbraw/zinc/93/34/34/1165933434.db2.gz CQYXJYYNZBDJAM-NEPJUHHUSA-N 2 1 273.808 1.255 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000876883475 1165933437 /nfs/dbraw/zinc/93/34/37/1165933437.db2.gz CQYXJYYNZBDJAM-NEPJUHHUSA-N 2 1 273.808 1.255 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001567451114 1168770600 /nfs/dbraw/zinc/77/06/00/1168770600.db2.gz DODLWYQKRWHJFY-CVEARBPZSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001567451114 1168770607 /nfs/dbraw/zinc/77/06/07/1168770607.db2.gz DODLWYQKRWHJFY-CVEARBPZSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001567451114 1168770611 /nfs/dbraw/zinc/77/06/11/1168770611.db2.gz DODLWYQKRWHJFY-CVEARBPZSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567730832 1168938467 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/nfs/dbraw/zinc/05/41/76/1183054176.db2.gz QZXGETSADWKUKD-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001733334596 1183400715 /nfs/dbraw/zinc/40/07/15/1183400715.db2.gz AVTGJLOMPZUJBL-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCN(C(=O)Cn1c[nH+]cc1C)C1CC[NH+](CC)CC1 ZINC001733368864 1183412365 /nfs/dbraw/zinc/41/23/65/1183412365.db2.gz CIPANGSPHGBMGR-UHFFFAOYSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733688039 1183496750 /nfs/dbraw/zinc/49/67/50/1183496750.db2.gz ZOWDHNVEVQPMLS-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001733938509 1183575831 /nfs/dbraw/zinc/57/58/31/1183575831.db2.gz IDHWTCHOPZCTHT-CQSZACIVSA-N 2 1 290.411 1.760 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001733978077 1183597628 /nfs/dbraw/zinc/59/76/28/1183597628.db2.gz IFDDATCFAJJKIX-RYUDHWBXSA-N 2 1 294.399 1.409 10 30 CDEEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852868741 790172038 /nfs/dbraw/zinc/17/20/38/790172038.db2.gz LYIOLJGLCHERJW-INIZCTEOSA-N 2 1 291.439 1.370 10 30 CDEEMP C[NH+]=C(NCC(C)(C)[NH+](C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261997492 792663355 /nfs/dbraw/zinc/66/33/55/792663355.db2.gz STQJFFUMCNFXRQ-UONOGXRCSA-N 3 1 297.491 1.220 10 30 CDEEMP C[NH+]=C(NCC(C)(C)N(C)C)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000261997492 792663384 /nfs/dbraw/zinc/66/33/84/792663384.db2.gz STQJFFUMCNFXRQ-UONOGXRCSA-N 2 1 297.491 1.220 10 30 CDEEMP C[NH+]=C(NCC(C)(C)N(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261997492 792663416 /nfs/dbraw/zinc/66/34/16/792663416.db2.gz STQJFFUMCNFXRQ-UONOGXRCSA-N 2 1 297.491 1.220 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000876770570 792702571 /nfs/dbraw/zinc/70/25/71/792702571.db2.gz HNHXGCDOZUGJEG-UPJWGTAASA-N 2 1 287.835 1.788 10 30 CDEEMP C[C@@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522480 792803600 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1.777 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001565914708 1168200320 /nfs/dbraw/zinc/20/03/20/1168200320.db2.gz QWQUSBZASDMINT-HRCADAONSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001272331750 912813741 /nfs/dbraw/zinc/81/37/41/912813741.db2.gz KGUDXRGYLFXBIW-CABCVRRESA-N 2 1 288.395 1.089 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001567265398 1168643097 /nfs/dbraw/zinc/64/30/97/1168643097.db2.gz WMAQKPJYGALFAC-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001567265398 1168643103 /nfs/dbraw/zinc/64/31/03/1168643103.db2.gz WMAQKPJYGALFAC-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001567265398 1168643109 /nfs/dbraw/zinc/64/31/09/1168643109.db2.gz WMAQKPJYGALFAC-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001283203562 896198143 /nfs/dbraw/zinc/19/81/43/896198143.db2.gz DZHBUXYPFMLTMB-CYBMUJFWSA-N 2 1 276.384 1.089 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480914376 896591584 /nfs/dbraw/zinc/59/15/84/896591584.db2.gz XOZQUQYTLGTKEC-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001480914376 896591573 /nfs/dbraw/zinc/59/15/73/896591573.db2.gz XOZQUQYTLGTKEC-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001480914376 896591568 /nfs/dbraw/zinc/59/15/68/896591568.db2.gz XOZQUQYTLGTKEC-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267044503 896625744 /nfs/dbraw/zinc/62/57/44/896625744.db2.gz SIDAMPVVUJETBE-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001267244746 897316136 /nfs/dbraw/zinc/31/61/36/897316136.db2.gz OVLMKBMRYDQFSA-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001267244746 897316149 /nfs/dbraw/zinc/31/61/49/897316149.db2.gz OVLMKBMRYDQFSA-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617010 914181014 /nfs/dbraw/zinc/18/10/14/914181014.db2.gz RRZZQJXRMDBADU-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001267434277 897899973 /nfs/dbraw/zinc/89/99/73/897899973.db2.gz VRJNPMKJOOLERE-UHFFFAOYSA-N 2 1 276.384 1.078 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267547177 898317181 /nfs/dbraw/zinc/31/71/81/898317181.db2.gz VPSCAFQKWMJMCU-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267547177 898317189 /nfs/dbraw/zinc/31/71/89/898317189.db2.gz VPSCAFQKWMJMCU-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267547177 898317200 /nfs/dbraw/zinc/31/72/00/898317200.db2.gz VPSCAFQKWMJMCU-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267547177 898317209 /nfs/dbraw/zinc/31/72/09/898317209.db2.gz VPSCAFQKWMJMCU-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001480975102 898417453 /nfs/dbraw/zinc/41/74/53/898417453.db2.gz HAVWOFKMVBCMBE-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267735185 899445749 /nfs/dbraw/zinc/44/57/49/899445749.db2.gz OASLPRXDDDTPAT-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001481246018 899624120 /nfs/dbraw/zinc/62/41/20/899624120.db2.gz OAGIHZIJCIAHBZ-ZIAGYGMSSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267827758 899824716 /nfs/dbraw/zinc/82/47/16/899824716.db2.gz XCRMBQPCYBLTRR-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001267948368 900024763 /nfs/dbraw/zinc/02/47/63/900024763.db2.gz BDRRXFDABGIXLA-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267989558 900207980 /nfs/dbraw/zinc/20/79/80/900207980.db2.gz MOPWKSIHORQJIL-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001481350337 900474740 /nfs/dbraw/zinc/47/47/40/900474740.db2.gz LCHYHZXUDBDDDJ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001481350337 900474749 /nfs/dbraw/zinc/47/47/49/900474749.db2.gz LCHYHZXUDBDDDJ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001481350337 900474757 /nfs/dbraw/zinc/47/47/57/900474757.db2.gz LCHYHZXUDBDDDJ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481404514 900568651 /nfs/dbraw/zinc/56/86/51/900568651.db2.gz NQQXVLFROYIRRY-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001481404514 900568662 /nfs/dbraw/zinc/56/86/62/900568662.db2.gz NQQXVLFROYIRRY-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481404514 900568673 /nfs/dbraw/zinc/56/86/73/900568673.db2.gz NQQXVLFROYIRRY-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481404514 900568676 /nfs/dbraw/zinc/56/86/76/900568676.db2.gz NQQXVLFROYIRRY-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001268226367 901605758 /nfs/dbraw/zinc/60/57/58/901605758.db2.gz IOTQMOCCYJWRFT-KBPBESRZSA-N 2 1 267.417 1.245 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001268227041 901606923 /nfs/dbraw/zinc/60/69/23/901606923.db2.gz HKEQJJLVVIVUGF-ZDUSSCGKSA-N 2 1 255.406 1.243 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001268252816 901671409 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C=C(C)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001481910338 902301835 /nfs/dbraw/zinc/30/18/35/902301835.db2.gz KANONAOZJNNSQN-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482110191 902658152 /nfs/dbraw/zinc/65/81/52/902658152.db2.gz LXUNSTLRLCXTJW-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268582111 902665571 /nfs/dbraw/zinc/66/55/71/902665571.db2.gz GAKWEDJTJLGGBE-YVACAVLKSA-N 2 1 277.412 1.004 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001268625667 902838204 /nfs/dbraw/zinc/83/82/04/902838204.db2.gz IUTHTWPTJMFDCQ-NHQLZKDQSA-N 2 1 279.428 1.555 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001269097181 903413272 /nfs/dbraw/zinc/41/32/72/903413272.db2.gz UCFVNTXFBCEHER-KRWDZBQOSA-N 2 1 299.418 1.332 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001269097181 903413276 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AUEITGGJCDSFEF-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001689801768 1175262462 /nfs/dbraw/zinc/26/24/62/1175262462.db2.gz AUEITGGJCDSFEF-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC[N@@H+](CCNC(=O)[C@H]([NH3+])CCCCC#N)C(C)C ZINC000848412720 617439815 /nfs/dbraw/zinc/43/98/15/617439815.db2.gz AGOUAJFPIJESOA-CYBMUJFWSA-N 2 1 268.405 1.244 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@@H+](C)C1CC1 ZINC000900541222 623221367 /nfs/dbraw/zinc/22/13/67/623221367.db2.gz CAAFEAGEYFDPJR-LBPRGKRZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001691187827 1158951541 /nfs/dbraw/zinc/95/15/41/1158951541.db2.gz WDQLDQHYPUNPHF-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001691187827 1158951544 /nfs/dbraw/zinc/95/15/44/1158951544.db2.gz WDQLDQHYPUNPHF-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 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JRRPQZKIAFRUQE-AWEZNQCLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCc1[nH]c(C)[nH+]c1C ZINC001646080999 1167637864 /nfs/dbraw/zinc/63/78/64/1167637864.db2.gz WJXPVVIVUSMKMU-UHFFFAOYSA-N 2 1 250.346 1.151 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001566590274 1168350445 /nfs/dbraw/zinc/35/04/45/1168350445.db2.gz MUUXYSCIQHVLTL-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001566590274 1168350450 /nfs/dbraw/zinc/35/04/50/1168350450.db2.gz MUUXYSCIQHVLTL-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001566590274 1168350457 /nfs/dbraw/zinc/35/04/57/1168350457.db2.gz MUUXYSCIQHVLTL-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001566699159 1168391204 /nfs/dbraw/zinc/39/12/04/1168391204.db2.gz DUNUMEWPWKTIKW-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001567582690 1168871824 /nfs/dbraw/zinc/87/18/24/1168871824.db2.gz XSFQQBDGOJFBKC-UHFFFAOYSA-N 2 1 299.378 1.505 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001567666268 1168909842 /nfs/dbraw/zinc/90/98/42/1168909842.db2.gz WMOMOTRKJGTWIV-INIZCTEOSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001568545864 1169358158 /nfs/dbraw/zinc/35/81/58/1169358158.db2.gz UJDHQXFYZQGTOL-KBPBESRZSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001570384479 1170147863 /nfs/dbraw/zinc/14/78/63/1170147863.db2.gz MAXMOBATPFGBOS-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001571351496 1170378997 /nfs/dbraw/zinc/37/89/97/1170378997.db2.gz WYKBGOZXIKCTAG-LSDHHAIUSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001656346235 1171809939 /nfs/dbraw/zinc/80/99/39/1171809939.db2.gz QIYCDOSYXWRVLW-QLFBSQMISA-N 2 1 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10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001700885480 1177178454 /nfs/dbraw/zinc/17/84/54/1177178454.db2.gz POWQNHNDXISFMJ-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001707256021 1177982217 /nfs/dbraw/zinc/98/22/17/1177982217.db2.gz ONGGQWRMCUNTNN-HIFRSBDPSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001707256021 1177982223 /nfs/dbraw/zinc/98/22/23/1177982223.db2.gz ONGGQWRMCUNTNN-HIFRSBDPSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001707256021 1177982228 /nfs/dbraw/zinc/98/22/28/1177982228.db2.gz ONGGQWRMCUNTNN-HIFRSBDPSA-N 2 1 277.412 1.073 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707275333 1177989411 /nfs/dbraw/zinc/98/94/11/1177989411.db2.gz MZFNIXNCQBYARC-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(Cl)C[N@@H+](CC)CCCNC(=O)Cn1ccnc1 ZINC001707469801 1178065109 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ZINC001713542048 1178635328 /nfs/dbraw/zinc/63/53/28/1178635328.db2.gz PTIWQTCGJLEOGT-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713542048 1178635331 /nfs/dbraw/zinc/63/53/31/1178635331.db2.gz PTIWQTCGJLEOGT-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713542048 1178635335 /nfs/dbraw/zinc/63/53/35/1178635335.db2.gz PTIWQTCGJLEOGT-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001713644116 1178693266 /nfs/dbraw/zinc/69/32/66/1178693266.db2.gz WPNFUIDZKPCILW-ZIAGYGMSSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713758998 1178741239 /nfs/dbraw/zinc/74/12/39/1178741239.db2.gz ITZDVNBTNFHHJH-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713758998 1178741244 /nfs/dbraw/zinc/74/12/44/1178741244.db2.gz ITZDVNBTNFHHJH-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713758998 1178741247 /nfs/dbraw/zinc/74/12/47/1178741247.db2.gz ITZDVNBTNFHHJH-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001713775286 1178746820 /nfs/dbraw/zinc/74/68/20/1178746820.db2.gz HHPSARJUAYGWDQ-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713924604 1178851015 /nfs/dbraw/zinc/85/10/15/1178851015.db2.gz KWDGAZKDKCDUGL-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001713940902 1178868354 /nfs/dbraw/zinc/86/83/54/1178868354.db2.gz QGUQVHZEKQGUDB-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714014054 1178928768 /nfs/dbraw/zinc/92/87/68/1178928768.db2.gz KREMZTUUUFUDAX-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714049575 1178945921 /nfs/dbraw/zinc/94/59/21/1178945921.db2.gz KMLLKEWAVUUFIN-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714049575 1178945926 /nfs/dbraw/zinc/94/59/26/1178945926.db2.gz KMLLKEWAVUUFIN-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714049575 1178945931 /nfs/dbraw/zinc/94/59/31/1178945931.db2.gz KMLLKEWAVUUFIN-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001714559341 1179217437 /nfs/dbraw/zinc/21/74/37/1179217437.db2.gz DMGWBTKGPQUHNF-UHFFFAOYSA-N 2 1 269.433 1.588 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001714559341 1179217446 /nfs/dbraw/zinc/21/74/46/1179217446.db2.gz DMGWBTKGPQUHNF-UHFFFAOYSA-N 2 1 269.433 1.588 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001714559341 1179217455 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1.731 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001731270974 1182285588 /nfs/dbraw/zinc/28/55/88/1182285588.db2.gz FMMIORSSHFCHNR-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731270974 1182285595 /nfs/dbraw/zinc/28/55/95/1182285595.db2.gz FMMIORSSHFCHNR-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731270974 1182285598 /nfs/dbraw/zinc/28/55/98/1182285598.db2.gz FMMIORSSHFCHNR-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731466806 1182400360 /nfs/dbraw/zinc/40/03/60/1182400360.db2.gz DUTLHBGEBPPRQC-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731506754 1182424851 /nfs/dbraw/zinc/42/48/51/1182424851.db2.gz IXEUJDWOBIVKAD-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001731506754 1182424840 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10 30 CDEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731719238 1182528637 /nfs/dbraw/zinc/52/86/37/1182528637.db2.gz GLRAOVICKXXVJB-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719238 1182528646 /nfs/dbraw/zinc/52/86/46/1182528646.db2.gz GLRAOVICKXXVJB-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001731719238 1182528649 /nfs/dbraw/zinc/52/86/49/1182528649.db2.gz GLRAOVICKXXVJB-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001732134586 1182794077 /nfs/dbraw/zinc/79/40/77/1182794077.db2.gz PCQYWACDFHQTOV-AWEZNQCLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001732189300 1182840515 /nfs/dbraw/zinc/84/05/15/1182840515.db2.gz HVWWUJPECYWNSY-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001732605453 1183043529 /nfs/dbraw/zinc/04/35/29/1183043529.db2.gz ITCXPFWLIRIWRR-KGLIPLIRSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001732753029 1183108774 /nfs/dbraw/zinc/10/87/74/1183108774.db2.gz IXTKGMZCRBNDKU-CYBMUJFWSA-N 2 1 278.400 1.642 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001733245119 1183367968 /nfs/dbraw/zinc/36/79/68/1183367968.db2.gz HLIRZCWKFFYCFE-CYBMUJFWSA-N 2 1 288.395 1.268 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001733353366 1183407972 /nfs/dbraw/zinc/40/79/72/1183407972.db2.gz BXAGTIGMQBENEC-DLBZAZTESA-N 2 1 299.418 1.503 10 30 CDEEMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733410789 1183424283 /nfs/dbraw/zinc/42/42/83/1183424283.db2.gz FZBUABBMKYINDD-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733410789 1183424286 /nfs/dbraw/zinc/42/42/86/1183424286.db2.gz FZBUABBMKYINDD-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001733409284 1183424479 /nfs/dbraw/zinc/42/44/79/1183424479.db2.gz BTMJBNMZAQHFLI-RDJZCZTQSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001733902244 1183562981 /nfs/dbraw/zinc/56/29/81/1183562981.db2.gz UOZPFWAHAORCFK-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001490800126 1164858479 /nfs/dbraw/zinc/85/84/79/1164858479.db2.gz IYGNLNQIWHVDIV-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001490800126 1164858485 /nfs/dbraw/zinc/85/84/85/1164858485.db2.gz IYGNLNQIWHVDIV-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C[N@H+](C)CCCC ZINC000876881376 1165933342 /nfs/dbraw/zinc/93/33/42/1165933342.db2.gz GJTQDJFSPZCCNB-NWDGAFQWSA-N 2 1 275.824 1.693 10 30 CDEEMP C#CC1(O)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000931151466 796672880 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CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001570564819 1170191246 /nfs/dbraw/zinc/19/12/46/1170191246.db2.gz KTVUFRHEHCVXFK-YMAMQOFZSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[NH+]1CC=C(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001571699030 1170527054 /nfs/dbraw/zinc/52/70/54/1170527054.db2.gz ARPPYGQUNSTBQI-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001571699030 1170527056 /nfs/dbraw/zinc/52/70/56/1170527056.db2.gz ARPPYGQUNSTBQI-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001571699030 1170527061 /nfs/dbraw/zinc/52/70/61/1170527061.db2.gz ARPPYGQUNSTBQI-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP CN(C)c1cc(NC(=O)[C@H]([NH3+])CCCCC#N)cc[nH+]1 ZINC000594438599 342906248 /nfs/dbraw/zinc/90/62/48/342906248.db2.gz KMRLOVDKHVAVQY-GFCCVEGCSA-N 2 1 275.356 1.497 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC#N ZINC000597051985 343442296 /nfs/dbraw/zinc/44/22/96/343442296.db2.gz HSCNXQWZOIYJMI-LSDHHAIUSA-N 2 1 294.443 1.411 10 30 CDEEMP C[NH+](CC#CC[N@H+](C)[C@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222868 529823248 /nfs/dbraw/zinc/82/32/48/529823248.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222868 529823250 /nfs/dbraw/zinc/82/32/50/529823250.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP C[NH+](CC#CC[N@@H+](C)[C@@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222868 529823251 /nfs/dbraw/zinc/82/32/51/529823251.db2.gz SQHITWDXDICZFZ-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP Cc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1C#N ZINC000600710444 349876651 /nfs/dbraw/zinc/87/66/51/349876651.db2.gz ONKCTOKPUBVPAT-KRWDZBQOSA-N 2 1 284.407 1.346 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001660169532 1172170412 /nfs/dbraw/zinc/17/04/12/1172170412.db2.gz AEQSLAZLRXPSGN-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001660169532 1172170421 /nfs/dbraw/zinc/17/04/21/1172170421.db2.gz AEQSLAZLRXPSGN-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001660169532 1172170425 /nfs/dbraw/zinc/17/04/25/1172170425.db2.gz AEQSLAZLRXPSGN-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001660364789 1172204074 /nfs/dbraw/zinc/20/40/74/1172204074.db2.gz DOQOROQWWFDKJT-UHFFFAOYSA-N 2 1 291.439 1.180 10 30 CDEEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396932 367824568 /nfs/dbraw/zinc/82/45/68/367824568.db2.gz QDNOVWAOBQVKQL-ZIAGYGMSSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396932 367824573 /nfs/dbraw/zinc/82/45/73/367824573.db2.gz QDNOVWAOBQVKQL-ZIAGYGMSSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396932 367824578 /nfs/dbraw/zinc/82/45/78/367824578.db2.gz QDNOVWAOBQVKQL-ZIAGYGMSSA-N 2 1 265.401 1.315 10 30 CDEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001661890510 1172461566 /nfs/dbraw/zinc/46/15/66/1172461566.db2.gz HGIXGFYKNUXHBA-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001661890510 1172461571 /nfs/dbraw/zinc/46/15/71/1172461571.db2.gz HGIXGFYKNUXHBA-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001661890510 1172461578 /nfs/dbraw/zinc/46/15/78/1172461578.db2.gz HGIXGFYKNUXHBA-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001662010920 1172476712 /nfs/dbraw/zinc/47/67/12/1172476712.db2.gz NSSAULDFXDLJPF-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001662844570 1172603417 /nfs/dbraw/zinc/60/34/17/1172603417.db2.gz HVMIZMDLSIRAOM-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001662844570 1172603422 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C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668833787 1173471987 /nfs/dbraw/zinc/47/19/87/1173471987.db2.gz KJMDYTBLXDVWDP-WPGRVJDUSA-N 2 1 293.455 1.943 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669812302 1173613703 /nfs/dbraw/zinc/61/37/03/1173613703.db2.gz XSRCFAHLVVTABZ-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001671805908 1173713669 /nfs/dbraw/zinc/71/36/69/1173713669.db2.gz ZSUURFJRBMWGBG-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001672838883 1173804589 /nfs/dbraw/zinc/80/45/89/1173804589.db2.gz GOYQKWSFQFTJNZ-UONOGXRCSA-N 2 1 299.846 1.661 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001698825575 1175952274 /nfs/dbraw/zinc/95/22/74/1175952274.db2.gz SYPFJDMMICJPHE-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001481530117 1159770053 /nfs/dbraw/zinc/77/00/53/1159770053.db2.gz OUJPQRXVOZXVLS-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481530117 1159770057 /nfs/dbraw/zinc/77/00/57/1159770057.db2.gz OUJPQRXVOZXVLS-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481530117 1159770062 /nfs/dbraw/zinc/77/00/62/1159770062.db2.gz OUJPQRXVOZXVLS-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691501426 1159857580 /nfs/dbraw/zinc/85/75/80/1159857580.db2.gz QNFYLUBWRJKADF-KBUPBQIOSA-N 2 1 279.428 1.387 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001269083685 1160029359 /nfs/dbraw/zinc/02/93/59/1160029359.db2.gz JIJNMPKPXRWODM-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001269083685 1160029365 /nfs/dbraw/zinc/02/93/65/1160029365.db2.gz JIJNMPKPXRWODM-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001269083685 1160029372 /nfs/dbraw/zinc/02/93/72/1160029372.db2.gz JIJNMPKPXRWODM-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271206502 1160312349 /nfs/dbraw/zinc/31/23/49/1160312349.db2.gz GKJBDIHDAIJSSV-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001732426043 1182958944 /nfs/dbraw/zinc/95/89/44/1182958944.db2.gz KMPKFQUENXIZLD-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)CC1CC1 ZINC000049609431 523513349 /nfs/dbraw/zinc/51/33/49/523513349.db2.gz ZUDCZIIICGXOIX-UHFFFAOYSA-N 2 1 258.365 1.847 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCC[C@H]1C ZINC000049608284 523513850 /nfs/dbraw/zinc/51/38/50/523513850.db2.gz YEIWOFPYOYQBGM-CYBMUJFWSA-N 2 1 258.365 1.990 10 30 CDEEMP C=CCCN1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001688699361 1175011944 /nfs/dbraw/zinc/01/19/44/1175011944.db2.gz AFCFIASICMXADS-HZPDHXFCSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001688699361 1175011949 /nfs/dbraw/zinc/01/19/49/1175011949.db2.gz AFCFIASICMXADS-HZPDHXFCSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001688699361 1175011956 /nfs/dbraw/zinc/01/19/56/1175011956.db2.gz AFCFIASICMXADS-HZPDHXFCSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843112 613746384 /nfs/dbraw/zinc/74/63/84/613746384.db2.gz XGVYHMRFFSENNV-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843112 613746385 /nfs/dbraw/zinc/74/63/85/613746385.db2.gz XGVYHMRFFSENNV-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843112 613746386 /nfs/dbraw/zinc/74/63/86/613746386.db2.gz XGVYHMRFFSENNV-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000923424572 618328961 /nfs/dbraw/zinc/32/89/61/618328961.db2.gz GIIUVYMWTVDIOC-VWYCJHECSA-N 2 1 266.307 1.383 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898839148 621889210 /nfs/dbraw/zinc/88/92/10/621889210.db2.gz KTDVUCXFZWFEPK-SOUVJXGZSA-N 2 1 289.423 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898839148 621889214 /nfs/dbraw/zinc/88/92/14/621889214.db2.gz KTDVUCXFZWFEPK-SOUVJXGZSA-N 2 1 289.423 1.073 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000900198808 622813349 /nfs/dbraw/zinc/81/33/49/622813349.db2.gz JUDHARIZVDOJFY-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CCCn1cc[nH+]c1C ZINC000901160972 623941789 /nfs/dbraw/zinc/94/17/89/623941789.db2.gz VHUANIFCWMYFPE-UHFFFAOYSA-N 2 1 278.400 1.548 10 30 CDEEMP C=CC[C@H]1CC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903936122 626154669 /nfs/dbraw/zinc/15/46/69/626154669.db2.gz YNXLHEKFPMBYIH-KBPBESRZSA-N 2 1 275.400 1.601 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000905309226 626758962 /nfs/dbraw/zinc/75/89/62/626758962.db2.gz WDGVEZIDXRFOTD-SNVBAGLBSA-N 2 1 270.764 1.754 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](C)C[C@@H]1CC ZINC000907928331 627909095 /nfs/dbraw/zinc/90/90/95/627909095.db2.gz CAJZUBREARTSIB-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001627276577 1158447140 /nfs/dbraw/zinc/44/71/40/1158447140.db2.gz WEXFFEZECVTNHQ-OWCLPIDISA-N 2 1 293.455 1.968 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266766688 1158814055 /nfs/dbraw/zinc/81/40/55/1158814055.db2.gz IPZKEMAKGAZLSG-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001670667013 1158681563 /nfs/dbraw/zinc/68/15/63/1158681563.db2.gz NXWMEFKINJPBFQ-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001670667013 1158681567 /nfs/dbraw/zinc/68/15/67/1158681567.db2.gz NXWMEFKINJPBFQ-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733046088 1160469711 /nfs/dbraw/zinc/46/97/11/1160469711.db2.gz VNUWIEWLZBXVFW-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733046088 1160469712 /nfs/dbraw/zinc/46/97/12/1160469712.db2.gz VNUWIEWLZBXVFW-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001733046088 1160469718 /nfs/dbraw/zinc/46/97/18/1160469718.db2.gz VNUWIEWLZBXVFW-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000876751702 1165909459 /nfs/dbraw/zinc/90/94/59/1165909459.db2.gz VTIBXVCMLBZNBS-MWLCHTKSSA-N 2 1 259.781 1.055 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994242 1168209980 /nfs/dbraw/zinc/20/99/80/1168209980.db2.gz CIRIZZXFAFQLMO-BMFZPTHFSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567708922 1168930426 /nfs/dbraw/zinc/93/04/26/1168930426.db2.gz CWHXBTWTBWLMMW-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567708922 1168930429 /nfs/dbraw/zinc/93/04/29/1168930429.db2.gz CWHXBTWTBWLMMW-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001567708922 1168930433 /nfs/dbraw/zinc/93/04/33/1168930433.db2.gz CWHXBTWTBWLMMW-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567977103 1169104563 /nfs/dbraw/zinc/10/45/63/1169104563.db2.gz QADLMVMGHJPPHA-ZIAGYGMSSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001568514732 1169341482 /nfs/dbraw/zinc/34/14/82/1169341482.db2.gz BEEHKTNNUMDCRZ-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001568514732 1169341492 /nfs/dbraw/zinc/34/14/92/1169341492.db2.gz BEEHKTNNUMDCRZ-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001568514732 1169341502 /nfs/dbraw/zinc/34/15/02/1169341502.db2.gz BEEHKTNNUMDCRZ-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001569380192 1169830725 /nfs/dbraw/zinc/83/07/25/1169830725.db2.gz PSNODRAEULBAQI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001569380192 1169830738 /nfs/dbraw/zinc/83/07/38/1169830738.db2.gz PSNODRAEULBAQI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001569380192 1169830750 /nfs/dbraw/zinc/83/07/50/1169830750.db2.gz PSNODRAEULBAQI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)CCCn1ccnc1C ZINC001570742389 1170263683 /nfs/dbraw/zinc/26/36/83/1170263683.db2.gz OYPATLNKABEBQP-ZDUSSCGKSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001570742389 1170263695 /nfs/dbraw/zinc/26/36/95/1170263695.db2.gz OYPATLNKABEBQP-ZDUSSCGKSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@@H]1C ZINC001571463718 1170439518 /nfs/dbraw/zinc/43/95/18/1170439518.db2.gz ZYPHJBDFAVQKQX-UKRRQHHQSA-N 2 1 288.395 1.184 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001650417687 1171047193 /nfs/dbraw/zinc/04/71/93/1171047193.db2.gz NHXFSRCZCVTCAU-NSHDSACASA-N 2 1 273.808 1.304 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001662010920 1172476707 /nfs/dbraw/zinc/47/67/07/1172476707.db2.gz NSSAULDFXDLJPF-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001662010920 1172476710 /nfs/dbraw/zinc/47/67/10/1172476710.db2.gz NSSAULDFXDLJPF-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001662639352 1172574114 /nfs/dbraw/zinc/57/41/14/1172574114.db2.gz AFUIOPNQNDQYJC-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001662844569 1172602324 /nfs/dbraw/zinc/60/23/24/1172602324.db2.gz HVMIZMDLSIRAOM-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001662844569 1172602327 /nfs/dbraw/zinc/60/23/27/1172602327.db2.gz HVMIZMDLSIRAOM-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001662844569 1172602329 /nfs/dbraw/zinc/60/23/29/1172602329.db2.gz HVMIZMDLSIRAOM-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C/CC ZINC001663989470 1172797354 /nfs/dbraw/zinc/79/73/54/1172797354.db2.gz SXELDPQMUXOUBA-MOEXGYKKSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C/CC ZINC001663989470 1172797359 /nfs/dbraw/zinc/79/73/59/1172797359.db2.gz SXELDPQMUXOUBA-MOEXGYKKSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001667007449 1173221249 /nfs/dbraw/zinc/22/12/49/1173221249.db2.gz AZRFNPUSKZOBCP-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)CCc2cnc[nH]2)CC1 ZINC001673958794 1173902026 /nfs/dbraw/zinc/90/20/26/1173902026.db2.gz KQYJOSXRLIHASD-UHFFFAOYSA-N 2 1 290.411 1.889 10 30 CDEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001690459880 1175475156 /nfs/dbraw/zinc/47/51/56/1175475156.db2.gz UPGWORHPBSAZBU-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001690459880 1175475159 /nfs/dbraw/zinc/47/51/59/1175475159.db2.gz UPGWORHPBSAZBU-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001690459880 1175475164 /nfs/dbraw/zinc/47/51/64/1175475164.db2.gz UPGWORHPBSAZBU-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP 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FRVABNBCMKQEOL-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001714659755 1179306434 /nfs/dbraw/zinc/30/64/34/1179306434.db2.gz MATUWIZXNTYASF-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001714659755 1179306439 /nfs/dbraw/zinc/30/64/39/1179306439.db2.gz MATUWIZXNTYASF-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001714659755 1179306446 /nfs/dbraw/zinc/30/64/46/1179306446.db2.gz MATUWIZXNTYASF-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001715414104 1179661680 /nfs/dbraw/zinc/66/16/80/1179661680.db2.gz CKIFXEWLRHPUAV-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCC1 ZINC001715935360 1179927164 /nfs/dbraw/zinc/92/71/64/1179927164.db2.gz WMUPLNWQSTYVPV-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCC1 ZINC001715935360 1179927172 /nfs/dbraw/zinc/92/71/72/1179927172.db2.gz WMUPLNWQSTYVPV-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001715998109 1179973562 /nfs/dbraw/zinc/97/35/62/1179973562.db2.gz QOLVGIKHLORLHX-ZDUSSCGKSA-N 2 1 278.400 1.642 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](F)C[NH+](CC)CC)C[C@H]2C1 ZINC001717010396 1180502285 /nfs/dbraw/zinc/50/22/85/1180502285.db2.gz BGAKXLOIHQPPNY-ZNMIVQPWSA-N 2 1 297.418 1.243 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001717153248 1180551484 /nfs/dbraw/zinc/55/14/84/1180551484.db2.gz OGGXTEDMHBKFAM-HUUCEWRRSA-N 2 1 289.423 1.265 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001717607419 1180755826 /nfs/dbraw/zinc/75/58/26/1180755826.db2.gz ZJXBQSWBFZORRN-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001717607419 1180755834 /nfs/dbraw/zinc/75/58/34/1180755834.db2.gz ZJXBQSWBFZORRN-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001717607419 1180755842 /nfs/dbraw/zinc/75/58/42/1180755842.db2.gz ZJXBQSWBFZORRN-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001717606587 1180756297 /nfs/dbraw/zinc/75/62/97/1180756297.db2.gz IKQOCELMYHMRSV-QKDCVEJESA-N 2 1 288.395 1.062 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001717606587 1180756300 /nfs/dbraw/zinc/75/63/00/1180756300.db2.gz IKQOCELMYHMRSV-QKDCVEJESA-N 2 1 288.395 1.062 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717731011 1180815447 /nfs/dbraw/zinc/81/54/47/1180815447.db2.gz HSURISHPFAZSLS-BMFZPTHFSA-N 2 1 293.455 1.729 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001722904014 1181490661 /nfs/dbraw/zinc/49/06/61/1181490661.db2.gz CUVCFTBYKUXPHK-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655834 1181717525 /nfs/dbraw/zinc/71/75/25/1181717525.db2.gz MTXZWNMETXOYFV-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001725184341 1181911047 /nfs/dbraw/zinc/91/10/47/1181911047.db2.gz YEAAZJLQMHJSTF-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001725184341 1181911054 /nfs/dbraw/zinc/91/10/54/1181911054.db2.gz YEAAZJLQMHJSTF-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001725184341 1181911060 /nfs/dbraw/zinc/91/10/60/1181911060.db2.gz YEAAZJLQMHJSTF-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725383553 1181982579 /nfs/dbraw/zinc/98/25/79/1181982579.db2.gz BLGTZTWZYGAZET-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[N@@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731323450 1182318551 /nfs/dbraw/zinc/31/85/51/1182318551.db2.gz WNGUUSMWKZGTTO-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001731429260 1182378264 /nfs/dbraw/zinc/37/82/64/1182378264.db2.gz SNOOGEQUNNGRDX-GASCZTMLSA-N 2 1 291.439 1.580 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001731429260 1182378268 /nfs/dbraw/zinc/37/82/68/1182378268.db2.gz SNOOGEQUNNGRDX-GASCZTMLSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001731852408 1182627102 /nfs/dbraw/zinc/62/71/02/1182627102.db2.gz WPCCYSQCRLHOLA-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001731852408 1182627108 /nfs/dbraw/zinc/62/71/08/1182627108.db2.gz WPCCYSQCRLHOLA-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732146489 1182805618 /nfs/dbraw/zinc/80/56/18/1182805618.db2.gz BDZXNKGMUOTEPT-GJZGRUSLSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001732146489 1182805627 /nfs/dbraw/zinc/80/56/27/1182805627.db2.gz BDZXNKGMUOTEPT-GJZGRUSLSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001732146489 1182805638 /nfs/dbraw/zinc/80/56/38/1182805638.db2.gz BDZXNKGMUOTEPT-GJZGRUSLSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001732146489 1182805647 /nfs/dbraw/zinc/80/56/47/1182805647.db2.gz BDZXNKGMUOTEPT-GJZGRUSLSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001732151105 1182808075 /nfs/dbraw/zinc/80/80/75/1182808075.db2.gz YDWIQWJUAOKWDV-PMPSAXMXSA-N 2 1 293.455 1.966 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001732151105 1182808081 /nfs/dbraw/zinc/80/80/81/1182808081.db2.gz YDWIQWJUAOKWDV-PMPSAXMXSA-N 2 1 293.455 1.966 10 30 CDEEMP 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C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001480711384 971847651 /nfs/dbraw/zinc/84/76/51/971847651.db2.gz ZGNXKNBLZXGXPN-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001569151895 1169693144 /nfs/dbraw/zinc/69/31/44/1169693144.db2.gz QHFPEECETRJLQB-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001569151895 1169693150 /nfs/dbraw/zinc/69/31/50/1169693150.db2.gz QHFPEECETRJLQB-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001569151895 1169693153 /nfs/dbraw/zinc/69/31/53/1169693153.db2.gz QHFPEECETRJLQB-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001325755018 954061889 /nfs/dbraw/zinc/06/18/89/954061889.db2.gz XPBDKNXZJLSEJK-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001325920223 954141593 /nfs/dbraw/zinc/14/15/93/954141593.db2.gz XQCRTGYBUFVOEB-JKSUJKDBSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920223 954141602 /nfs/dbraw/zinc/14/16/02/954141602.db2.gz XQCRTGYBUFVOEB-JKSUJKDBSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920223 954141611 /nfs/dbraw/zinc/14/16/11/954141611.db2.gz XQCRTGYBUFVOEB-JKSUJKDBSA-N 2 1 291.439 1.415 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001492383652 955846633 /nfs/dbraw/zinc/84/66/33/955846633.db2.gz GRMBAEKWAZVAKI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001492383652 955846646 /nfs/dbraw/zinc/84/66/46/955846646.db2.gz GRMBAEKWAZVAKI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001492383652 955846662 /nfs/dbraw/zinc/84/66/62/955846662.db2.gz GRMBAEKWAZVAKI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329837270 956135151 /nfs/dbraw/zinc/13/51/51/956135151.db2.gz FNHSBVLTMLGBSO-OAHLLOKOSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001493998116 972157399 /nfs/dbraw/zinc/15/73/99/972157399.db2.gz UFLUCZQHRUBJOO-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317512978 956764211 /nfs/dbraw/zinc/76/42/11/956764211.db2.gz GCOLJNAPPDTOCA-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317512978 956764215 /nfs/dbraw/zinc/76/42/15/956764215.db2.gz GCOLJNAPPDTOCA-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001316771677 957007354 /nfs/dbraw/zinc/00/73/54/957007354.db2.gz LRSJSSOEUFZTQS-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001316902728 957107386 /nfs/dbraw/zinc/10/73/86/957107386.db2.gz CTPPSCPSJHXBMG-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001317183776 957329392 /nfs/dbraw/zinc/32/93/92/957329392.db2.gz IZIYVPLTPUUUOL-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001317195242 957335821 /nfs/dbraw/zinc/33/58/21/957335821.db2.gz YWSNQEYOZOBDCU-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001332859004 957891323 /nfs/dbraw/zinc/89/13/23/957891323.db2.gz VSKXOHFLSDQIAJ-LSDHHAIUSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001318079470 957904802 /nfs/dbraw/zinc/90/48/02/957904802.db2.gz GOQZJETXZVTWEK-UKRRQHHQSA-N 2 1 281.444 1.728 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001332881005 957914549 /nfs/dbraw/zinc/91/45/49/957914549.db2.gz DOKRMDACVFWDIK-ZDUSSCGKSA-N 2 1 267.417 1.082 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001320110889 958944098 /nfs/dbraw/zinc/94/40/98/958944098.db2.gz IZHDBBBOQXMOMO-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320110889 958944112 /nfs/dbraw/zinc/94/41/12/958944112.db2.gz IZHDBBBOQXMOMO-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001320110889 958944125 /nfs/dbraw/zinc/94/41/25/958944125.db2.gz IZHDBBBOQXMOMO-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001320423876 959162667 /nfs/dbraw/zinc/16/26/67/959162667.db2.gz XBOSOZGYVXUVML-RBSFLKMASA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001320822086 959411937 /nfs/dbraw/zinc/41/19/37/959411937.db2.gz YOLMKUBZHGSWEQ-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321056994 959563980 /nfs/dbraw/zinc/56/39/80/959563980.db2.gz LQVQEYSVIVSBQP-LFAOLKIESA-N 2 1 277.412 1.145 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419622817 961883633 /nfs/dbraw/zinc/88/36/33/961883633.db2.gz DZJDNEPPAIPGQN-ZIAGYGMSSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001439239026 963688210 /nfs/dbraw/zinc/68/82/10/963688210.db2.gz JDWGWUUJPKAWAS-RWMBFGLXSA-N 2 1 287.835 1.564 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001569378644 1169828422 /nfs/dbraw/zinc/82/84/22/1169828422.db2.gz WSQOWGGRPLFRQO-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)Nc1cccnc1-n1cc[nH+]c1C ZINC001441687179 964654812 /nfs/dbraw/zinc/65/48/12/964654812.db2.gz LKMAVBIVXCANQO-UHFFFAOYSA-N 2 1 285.351 1.632 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001496603481 972984937 /nfs/dbraw/zinc/98/49/37/972984937.db2.gz SGORHQJWTSABSQ-KBPBESRZSA-N 2 1 267.417 1.245 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001374041490 973745766 /nfs/dbraw/zinc/74/57/66/973745766.db2.gz FNTCYNKKKMMOMR-SNVBAGLBSA-N 2 1 284.791 1.286 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001375239648 974299891 /nfs/dbraw/zinc/29/98/91/974299891.db2.gz AIJAEVDTMKSTNI-CYBMUJFWSA-N 2 1 296.802 1.428 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500347192 974425798 /nfs/dbraw/zinc/42/57/98/974425798.db2.gz BGOPETRGKZHOTA-BFYDXBDKSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001505400312 974859810 /nfs/dbraw/zinc/85/98/10/974859810.db2.gz KPKAQWRCDSHINS-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001505400312 974859817 /nfs/dbraw/zinc/85/98/17/974859817.db2.gz KPKAQWRCDSHINS-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001505400312 974859819 /nfs/dbraw/zinc/85/98/19/974859819.db2.gz KPKAQWRCDSHINS-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001506045663 975100259 /nfs/dbraw/zinc/10/02/59/975100259.db2.gz BGHHXLLNPFBKNE-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001506045663 975100260 /nfs/dbraw/zinc/10/02/60/975100260.db2.gz BGHHXLLNPFBKNE-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001506045663 975100261 /nfs/dbraw/zinc/10/02/61/975100261.db2.gz BGHHXLLNPFBKNE-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377671112 975106925 /nfs/dbraw/zinc/10/69/25/975106925.db2.gz PGZVLAUKXUFCOU-KGLIPLIRSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377671112 975106929 /nfs/dbraw/zinc/10/69/29/975106929.db2.gz PGZVLAUKXUFCOU-KGLIPLIRSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377671112 975106932 /nfs/dbraw/zinc/10/69/32/975106932.db2.gz PGZVLAUKXUFCOU-KGLIPLIRSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377671112 975106936 /nfs/dbraw/zinc/10/69/36/975106936.db2.gz PGZVLAUKXUFCOU-KGLIPLIRSA-N 2 1 299.846 1.613 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001506748984 975216158 /nfs/dbraw/zinc/21/61/58/975216158.db2.gz CDZDEOGQLALJHG-STQMWFEESA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507904171 975563649 /nfs/dbraw/zinc/56/36/49/975563649.db2.gz SBEPFUVKQVWOPR-QWHCGFSZSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001674396555 1173937847 /nfs/dbraw/zinc/93/78/47/1173937847.db2.gz YMPMXBXINQTECI-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001570252145 1170122226 /nfs/dbraw/zinc/12/22/26/1170122226.db2.gz FLVNPZRETQLXDM-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001656106056 1171770022 /nfs/dbraw/zinc/77/00/22/1171770022.db2.gz QVRPEQNYGFEGAF-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656106056 1171770036 /nfs/dbraw/zinc/77/00/36/1171770036.db2.gz QVRPEQNYGFEGAF-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656106056 1171770043 /nfs/dbraw/zinc/77/00/43/1171770043.db2.gz QVRPEQNYGFEGAF-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001656867867 1171888791 /nfs/dbraw/zinc/88/87/91/1171888791.db2.gz YAMHXVXTVUGQHK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001656867867 1171888804 /nfs/dbraw/zinc/88/88/04/1171888804.db2.gz YAMHXVXTVUGQHK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001656867867 1171888814 /nfs/dbraw/zinc/88/88/14/1171888814.db2.gz YAMHXVXTVUGQHK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438042 342905911 /nfs/dbraw/zinc/90/59/11/342905911.db2.gz MIUAZXVGXQONOM-LSDHHAIUSA-N 2 1 294.443 1.778 10 30 CDEEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[C@H]21 ZINC000594443124 342908097 /nfs/dbraw/zinc/90/80/97/342908097.db2.gz LNJVSNAHANEZBM-QLFBSQMISA-N 2 1 292.427 1.340 10 30 CDEEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600716789 342244334 /nfs/dbraw/zinc/24/43/34/342244334.db2.gz MJJSMGHPZMODKC-XHSDSOJGSA-N 2 1 293.455 1.999 10 30 CDEEMP CCO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000405279381 349782529 /nfs/dbraw/zinc/78/25/29/349782529.db2.gz ZYKZTARTUNYAKT-HUUCEWRRSA-N 2 1 259.353 1.354 10 30 CDEEMP CCO[C@@H]1C[N@@H+](Cc2cccc(C#N)c2)C[C@H]1C[NH3+] ZINC000405279381 349782534 /nfs/dbraw/zinc/78/25/34/349782534.db2.gz ZYKZTARTUNYAKT-HUUCEWRRSA-N 2 1 259.353 1.354 10 30 CDEEMP CC[C@](C)(C#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942707 343674242 /nfs/dbraw/zinc/67/42/42/343674242.db2.gz LROVEEYLCRSNSK-DZGCQCFKSA-N 2 1 282.432 1.314 10 30 CDEEMP CC[C@](C)(C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942707 343674243 /nfs/dbraw/zinc/67/42/43/343674243.db2.gz LROVEEYLCRSNSK-DZGCQCFKSA-N 2 1 282.432 1.314 10 30 CDEEMP C=CC[C@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629551348 362985796 /nfs/dbraw/zinc/98/57/96/362985796.db2.gz UBIKGXMHFUFPJT-ULQDDVLXSA-N 2 1 274.408 1.815 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12 ZINC001659901277 1172143912 /nfs/dbraw/zinc/14/39/12/1172143912.db2.gz VRCQMWLIJVDSQD-LJISPDSOSA-N 2 1 278.396 1.119 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12 ZINC001659901277 1172143920 /nfs/dbraw/zinc/14/39/20/1172143920.db2.gz VRCQMWLIJVDSQD-LJISPDSOSA-N 2 1 278.396 1.119 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001660476876 1172218705 /nfs/dbraw/zinc/21/87/05/1172218705.db2.gz ZOVBFXLSPAEQOW-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(Cl)C[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001660753379 1172270307 /nfs/dbraw/zinc/27/03/07/1172270307.db2.gz QXDLFCYHTFDOCH-UHFFFAOYSA-N 2 1 299.846 1.805 10 30 CDEEMP C=C(Cl)C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001660753379 1172270313 /nfs/dbraw/zinc/27/03/13/1172270313.db2.gz QXDLFCYHTFDOCH-UHFFFAOYSA-N 2 1 299.846 1.805 10 30 CDEEMP CC#CCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000155486818 361562938 /nfs/dbraw/zinc/56/29/38/361562938.db2.gz DJPPEXMUUGQWGW-AWEZNQCLSA-N 2 1 252.402 1.424 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193621283 375883181 /nfs/dbraw/zinc/88/31/81/375883181.db2.gz PDOVFDVXYBLBQD-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193621283 375883189 /nfs/dbraw/zinc/88/31/89/375883189.db2.gz PDOVFDVXYBLBQD-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193621283 375883195 /nfs/dbraw/zinc/88/31/95/375883195.db2.gz PDOVFDVXYBLBQD-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193621283 375883201 /nfs/dbraw/zinc/88/32/01/375883201.db2.gz PDOVFDVXYBLBQD-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C=CC[C@@]1(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662684171 413305800 /nfs/dbraw/zinc/30/58/00/413305800.db2.gz BCFXYVUTWOQGBK-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP COCC[N@@H+](Cc1ccccc1C#CC[NH3+])[C@@H](C)COC ZINC000042609999 174823035 /nfs/dbraw/zinc/82/30/35/174823035.db2.gz DZWSBLISWMOHCH-HNNXBMFYSA-N 2 1 290.407 1.480 10 30 CDEEMP COCCC[N@@H+](CCOC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689063 175095525 /nfs/dbraw/zinc/09/55/25/175095525.db2.gz RGNGOWDKZNGEIV-UHFFFAOYSA-N 2 1 296.436 1.543 10 30 CDEEMP C[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@H]1CC[NH+](C)C1 ZINC000071190505 176066377 /nfs/dbraw/zinc/06/63/77/176066377.db2.gz ZENXVAWSLDMPND-AWEZNQCLSA-N 2 1 290.382 1.553 10 30 CDEEMP C[N@H+](Cc1ccc(F)cc1C#CCO)C[C@H]1CC[NH+](C)C1 ZINC000071190505 176066378 /nfs/dbraw/zinc/06/63/78/176066378.db2.gz ZENXVAWSLDMPND-AWEZNQCLSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CCO)C[C@H]1CC[N@H+](C)C1 ZINC000071190505 176066379 /nfs/dbraw/zinc/06/63/79/176066379.db2.gz ZENXVAWSLDMPND-AWEZNQCLSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CCO)C[C@H]1CC[N@@H+](C)C1 ZINC000071190505 176066381 /nfs/dbraw/zinc/06/63/81/176066381.db2.gz ZENXVAWSLDMPND-AWEZNQCLSA-N 2 1 290.382 1.553 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCCO)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190491 176066995 /nfs/dbraw/zinc/06/69/95/176066995.db2.gz RCCXSELLZRUBHM-SFHVURJKSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190491 176066997 /nfs/dbraw/zinc/06/69/97/176066997.db2.gz RCCXSELLZRUBHM-SFHVURJKSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccc(C#CCCO)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190491 176066998 /nfs/dbraw/zinc/06/69/98/176066998.db2.gz RCCXSELLZRUBHM-SFHVURJKSA-N 2 1 286.419 1.804 10 30 CDEEMP C[N@@H+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190506 176067262 /nfs/dbraw/zinc/06/72/62/176067262.db2.gz ZENXVAWSLDMPND-CQSZACIVSA-N 2 1 290.382 1.553 10 30 CDEEMP C[N@H+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190506 176067263 /nfs/dbraw/zinc/06/72/63/176067263.db2.gz ZENXVAWSLDMPND-CQSZACIVSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CC[N@H+](C)C1 ZINC000071190506 176067264 /nfs/dbraw/zinc/06/72/64/176067264.db2.gz ZENXVAWSLDMPND-CQSZACIVSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CCO)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190506 176067266 /nfs/dbraw/zinc/06/72/66/176067266.db2.gz ZENXVAWSLDMPND-CQSZACIVSA-N 2 1 290.382 1.553 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668088833 1173367750 /nfs/dbraw/zinc/36/77/50/1173367750.db2.gz ZZNYQXQDICDVII-HOCLYGCPSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669877110 1173622173 /nfs/dbraw/zinc/62/21/73/1173622173.db2.gz CAJPQIQAIHMHJR-UONOGXRCSA-N 2 1 269.433 1.585 10 30 CDEEMP C#CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000378524881 329054028 /nfs/dbraw/zinc/05/40/28/329054028.db2.gz CSQMFCLYTSBTNM-XYPWUTKMSA-N 2 1 261.413 1.253 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262472914 330015910 /nfs/dbraw/zinc/01/59/10/330015910.db2.gz PHVQVHHDEOOEOK-GJZGRUSLSA-N 2 1 296.459 1.390 10 30 CDEEMP C=CCNC(N[C@@H]1CC[N@H+](C2CCCC2)C1)=[NH+]CC ZINC000262813109 330033579 /nfs/dbraw/zinc/03/35/79/330033579.db2.gz RLOTUTUUUFLFNR-CYBMUJFWSA-N 2 1 264.417 1.744 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H](CC)[NH+](CC)CC ZINC001267215183 1159181226 /nfs/dbraw/zinc/18/12/26/1159181226.db2.gz IPIHGCHGOMDCBX-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001505456529 1160375094 /nfs/dbraw/zinc/37/50/94/1160375094.db2.gz XDCJJNAHPWSQAX-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001505456529 1160375103 /nfs/dbraw/zinc/37/51/03/1160375103.db2.gz XDCJJNAHPWSQAX-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001505456529 1160375110 /nfs/dbraw/zinc/37/51/10/1160375110.db2.gz XDCJJNAHPWSQAX-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001712972243 1178279014 /nfs/dbraw/zinc/27/90/14/1178279014.db2.gz QRIJPAOQJQUSTF-UHFFFAOYSA-N 2 1 283.460 1.979 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)CC ZINC001733106148 1161501225 /nfs/dbraw/zinc/50/12/25/1161501225.db2.gz KPCPYXUJSCNGLQ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](C)CC ZINC001733106148 1161501230 /nfs/dbraw/zinc/50/12/30/1161501230.db2.gz KPCPYXUJSCNGLQ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732455027 1182974925 /nfs/dbraw/zinc/97/49/25/1182974925.db2.gz RIWLGRYNWJKASM-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CC[NH3+])[C@H]1CCSC1 ZINC000049608996 523360275 /nfs/dbraw/zinc/36/02/75/523360275.db2.gz IBWAEJAZTVJTPZ-HNNXBMFYSA-N 2 1 260.406 1.934 10 30 CDEEMP C[C@H]1CC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049609454 524288617 /nfs/dbraw/zinc/28/86/17/524288617.db2.gz HWPKLHLCOGYFHC-AWEZNQCLSA-N 2 1 258.365 1.717 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)NCC#CC[NH+](C)C ZINC001684868900 1174663247 /nfs/dbraw/zinc/66/32/47/1174663247.db2.gz GPPIZGLNHLRLAC-HNNXBMFYSA-N 2 1 294.443 1.115 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001689012413 1175085058 /nfs/dbraw/zinc/08/50/58/1175085058.db2.gz IEBQRKPMQYRCKO-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001689801810 1175262992 /nfs/dbraw/zinc/26/29/92/1175262992.db2.gz CEQRPEMQBYRARJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001689801810 1175262997 /nfs/dbraw/zinc/26/29/97/1175262997.db2.gz CEQRPEMQBYRARJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001689801810 1175263001 /nfs/dbraw/zinc/26/30/01/1175263001.db2.gz CEQRPEMQBYRARJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001690281997 1175423485 /nfs/dbraw/zinc/42/34/85/1175423485.db2.gz PWZROLQJVBUBOC-HAQNSBGRSA-N 2 1 292.383 1.163 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000900589038 623264102 /nfs/dbraw/zinc/26/41/02/623264102.db2.gz JBTYUOQQEWHXLM-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900607349 623287262 /nfs/dbraw/zinc/28/72/62/623287262.db2.gz BHVDCYSKMNALHZ-KGLIPLIRSA-N 2 1 290.411 1.107 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000907758221 627819206 /nfs/dbraw/zinc/81/92/06/627819206.db2.gz ZMTPVGAQEOIGCJ-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908535120 628253641 /nfs/dbraw/zinc/25/36/41/628253641.db2.gz ACBPRLVVWBZPJK-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP CC(C)[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC(C)(C)C ZINC000912509374 630049682 /nfs/dbraw/zinc/04/96/82/630049682.db2.gz FASKFBZBCFQSQK-LBPRGKRZSA-N 2 1 254.422 1.823 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000913815903 630794716 /nfs/dbraw/zinc/79/47/16/630794716.db2.gz UIESULRFFYKNDU-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001699724316 1158521251 /nfs/dbraw/zinc/52/12/51/1158521251.db2.gz IJBKTCMJDAHTHF-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266409600 1158534627 /nfs/dbraw/zinc/53/46/27/1158534627.db2.gz MURIECTZVATLHV-HZPDHXFCSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469709 1158613202 /nfs/dbraw/zinc/61/32/02/1158613202.db2.gz KVWIMVHESIQFPV-CABCVRRESA-N 2 1 279.428 1.530 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001271326448 1160322372 /nfs/dbraw/zinc/32/23/72/1160322372.db2.gz OWRAMGATBYQDRG-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649930 1161330019 /nfs/dbraw/zinc/33/00/19/1161330019.db2.gz SWYNPMLSXOIIIL-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649930 1161330027 /nfs/dbraw/zinc/33/00/27/1161330027.db2.gz SWYNPMLSXOIIIL-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001566714259 1168033371 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293.455 1.826 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001569125419 1169674458 /nfs/dbraw/zinc/67/44/58/1169674458.db2.gz UYTDVEVOWOYZTF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001569125419 1169674466 /nfs/dbraw/zinc/67/44/66/1169674466.db2.gz UYTDVEVOWOYZTF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001569125419 1169674470 /nfs/dbraw/zinc/67/44/70/1169674470.db2.gz UYTDVEVOWOYZTF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001570801529 1170282285 /nfs/dbraw/zinc/28/22/85/1170282285.db2.gz YLBJXTUYXLFUJB-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001660699603 1172259944 /nfs/dbraw/zinc/25/99/44/1172259944.db2.gz IZWJNGFZXWTMNE-UHFFFAOYSA-N 2 1 291.439 1.772 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666914533 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10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)CC(C)C ZINC001698871441 1175972261 /nfs/dbraw/zinc/97/22/61/1175972261.db2.gz STHPQRWRKLHQAJ-HOTGVXAUSA-N 2 1 293.455 1.613 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001699184114 1176130817 /nfs/dbraw/zinc/13/08/17/1176130817.db2.gz CXNXGPDJJSMEGA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001699450202 1176414249 /nfs/dbraw/zinc/41/42/49/1176414249.db2.gz IWSFMPLKHIJOBU-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699450202 1176414252 /nfs/dbraw/zinc/41/42/52/1176414252.db2.gz IWSFMPLKHIJOBU-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699450202 1176414255 /nfs/dbraw/zinc/41/42/55/1176414255.db2.gz IWSFMPLKHIJOBU-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001699590614 1176489804 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CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001700321032 1176848583 /nfs/dbraw/zinc/84/85/83/1176848583.db2.gz VRBTWWXNKROTFP-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700720927 1177093072 /nfs/dbraw/zinc/09/30/72/1177093072.db2.gz FBKVRRGYTAMKKD-FVQBIDKESA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001712972243 1178279001 /nfs/dbraw/zinc/27/90/01/1178279001.db2.gz QRIJPAOQJQUSTF-UHFFFAOYSA-N 2 1 283.460 1.979 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001712972243 1178279008 /nfs/dbraw/zinc/27/90/08/1178279008.db2.gz QRIJPAOQJQUSTF-UHFFFAOYSA-N 2 1 283.460 1.979 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713224381 1178440549 /nfs/dbraw/zinc/44/05/49/1178440549.db2.gz UKUUTKVDUUDVEZ-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713224381 1178440554 /nfs/dbraw/zinc/44/05/54/1178440554.db2.gz UKUUTKVDUUDVEZ-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713311135 1178488883 /nfs/dbraw/zinc/48/88/83/1178488883.db2.gz JMULZVRRWVRXGV-MELADBBJSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713846097 1178790658 /nfs/dbraw/zinc/79/06/58/1178790658.db2.gz KXHJEYSMWCLXGN-UHFFFAOYSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001714039516 1178942241 /nfs/dbraw/zinc/94/22/41/1178942241.db2.gz FLIYTVXDPBASOI-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714039516 1178942236 /nfs/dbraw/zinc/94/22/36/1178942236.db2.gz FLIYTVXDPBASOI-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714039516 1178942246 /nfs/dbraw/zinc/94/22/46/1178942246.db2.gz FLIYTVXDPBASOI-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001714523859 1179181288 /nfs/dbraw/zinc/18/12/88/1179181288.db2.gz RUALRGIZSAFNAJ-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001714539192 1179195436 /nfs/dbraw/zinc/19/54/36/1179195436.db2.gz GIRGESOZTNMZDM-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001714579357 1179236786 /nfs/dbraw/zinc/23/67/86/1179236786.db2.gz SCDDGABVKDWJGX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001714579357 1179236791 /nfs/dbraw/zinc/23/67/91/1179236791.db2.gz SCDDGABVKDWJGX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001714657659 1179304065 /nfs/dbraw/zinc/30/40/65/1179304065.db2.gz VDFXNSFMMSGJDE-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001714873667 1179431486 /nfs/dbraw/zinc/43/14/86/1179431486.db2.gz GETJERNQGUZKNO-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001714873667 1179431489 /nfs/dbraw/zinc/43/14/89/1179431489.db2.gz GETJERNQGUZKNO-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001714873667 1179431493 /nfs/dbraw/zinc/43/14/93/1179431493.db2.gz GETJERNQGUZKNO-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001715335880 1179631342 /nfs/dbraw/zinc/63/13/42/1179631342.db2.gz CROMWUDTRRCNRQ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001715335882 1179631723 /nfs/dbraw/zinc/63/17/23/1179631723.db2.gz CROMWUDTRRCNRQ-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715820588 1179847983 /nfs/dbraw/zinc/84/79/83/1179847983.db2.gz YTSYRIUMRRFQHN-IDTUSYRASA-N 2 1 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CDEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001733938582 1183575544 /nfs/dbraw/zinc/57/55/44/1183575544.db2.gz IVDXJMGNKHSYLA-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733938582 1183575548 /nfs/dbraw/zinc/57/55/48/1183575548.db2.gz IVDXJMGNKHSYLA-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733938582 1183575550 /nfs/dbraw/zinc/57/55/50/1183575550.db2.gz IVDXJMGNKHSYLA-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001733978073 1183597339 /nfs/dbraw/zinc/59/73/39/1183597339.db2.gz IFDDATCFAJJKIX-NEPJUHHUSA-N 2 1 294.399 1.409 10 30 CDEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001734083588 1183652554 /nfs/dbraw/zinc/65/25/54/1183652554.db2.gz SJNMCYIFEXTEIU-HNNXBMFYSA-N 2 1 292.427 1.840 10 30 CDEEMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001734162306 1183679603 /nfs/dbraw/zinc/67/96/03/1183679603.db2.gz NISKYCZMRHLQDZ-YHUYYLMFSA-N 2 1 291.439 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001734162306 1183679608 /nfs/dbraw/zinc/67/96/08/1183679608.db2.gz NISKYCZMRHLQDZ-YHUYYLMFSA-N 2 1 291.439 1.341 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001734162306 1183679613 /nfs/dbraw/zinc/67/96/13/1183679613.db2.gz NISKYCZMRHLQDZ-YHUYYLMFSA-N 2 1 291.439 1.341 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001691866706 1164289417 /nfs/dbraw/zinc/28/94/17/1164289417.db2.gz FCKACYILBCAOEV-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001691866706 1164289426 /nfs/dbraw/zinc/28/94/26/1164289426.db2.gz FCKACYILBCAOEV-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 ZINC001691866706 1164289433 /nfs/dbraw/zinc/28/94/33/1164289433.db2.gz FCKACYILBCAOEV-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP COC[C@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303897658 818398575 /nfs/dbraw/zinc/39/85/75/818398575.db2.gz QTHCFHFXRAIMQF-LBPRGKRZSA-N 2 1 270.421 1.190 10 30 CDEEMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240731 819365572 /nfs/dbraw/zinc/36/55/72/819365572.db2.gz ZMEAUECJRIQOHN-RDJZCZTQSA-N 2 1 285.391 1.070 10 30 CDEEMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240731 819365579 /nfs/dbraw/zinc/36/55/79/819365579.db2.gz ZMEAUECJRIQOHN-RDJZCZTQSA-N 2 1 285.391 1.070 10 30 CDEEMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930903724 820027038 /nfs/dbraw/zinc/02/70/38/820027038.db2.gz ORZZRPBUWXLYRC-UYSNPLJNSA-N 2 1 279.428 1.705 10 30 CDEEMP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262012722 821684350 /nfs/dbraw/zinc/68/43/50/821684350.db2.gz XBJNTMNQXZRILF-VHSXEESVSA-N 2 1 262.348 1.145 10 30 CDEEMP C[NH+]=C(NCC1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C 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1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001566665256 1168377297 /nfs/dbraw/zinc/37/72/97/1168377297.db2.gz PAPYHEACGXEIRV-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001567178141 1168606996 /nfs/dbraw/zinc/60/69/96/1168606996.db2.gz ZLOCIWIXQKURDH-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001567299947 1168668926 /nfs/dbraw/zinc/66/89/26/1168668926.db2.gz WKVUNZNSCFYJLO-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001567299947 1168668928 /nfs/dbraw/zinc/66/89/28/1168668928.db2.gz WKVUNZNSCFYJLO-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001266533593 895257448 /nfs/dbraw/zinc/25/74/48/895257448.db2.gz MTGXIRYONLXTQP-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001266693462 895846646 /nfs/dbraw/zinc/84/66/46/895846646.db2.gz ZZAVKVHSICTANJ-QXSJWSMHSA-N 2 1 289.423 1.263 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266865380 896232050 /nfs/dbraw/zinc/23/20/50/896232050.db2.gz UCBJKUSEGJBELI-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266865381 896232460 /nfs/dbraw/zinc/23/24/60/896232460.db2.gz UCBJKUSEGJBELI-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001279587916 896947013 /nfs/dbraw/zinc/94/70/13/896947013.db2.gz OTSSJFOPXBPRRI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001279587916 896947022 /nfs/dbraw/zinc/94/70/22/896947022.db2.gz OTSSJFOPXBPRRI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001279587916 896947033 /nfs/dbraw/zinc/94/70/33/896947033.db2.gz OTSSJFOPXBPRRI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001267666404 899210021 /nfs/dbraw/zinc/21/00/21/899210021.db2.gz FNVZWYSTIPUOBG-GOEBONIOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267792326 899738501 /nfs/dbraw/zinc/73/85/01/899738501.db2.gz YGCMJWXFSHJRQR-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001267847761 899866327 /nfs/dbraw/zinc/86/63/27/899866327.db2.gz BIPPQZKCYQGIBP-GOEBONIOSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001567701107 1168925878 /nfs/dbraw/zinc/92/58/78/1168925878.db2.gz BQUOZJSKAYTPAR-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001268160870 901454227 /nfs/dbraw/zinc/45/42/27/901454227.db2.gz WMLKIBAOOJYZEC-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001482026537 902484318 /nfs/dbraw/zinc/48/43/18/902484318.db2.gz LVHSETSVFKHLTQ-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001268704586 902987706 /nfs/dbraw/zinc/98/77/06/902987706.db2.gz JQNMAWSBZUHCLN-ZDUSSCGKSA-N 2 1 267.417 1.082 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(C)C ZINC001268798534 903142237 /nfs/dbraw/zinc/14/22/37/903142237.db2.gz LBCGSQPJLHPJAP-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(C)C ZINC001268798534 903142245 /nfs/dbraw/zinc/14/22/45/903142245.db2.gz LBCGSQPJLHPJAP-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269250594 903607730 /nfs/dbraw/zinc/60/77/30/903607730.db2.gz GPVDGIDTTWWECN-CHWSQXEVSA-N 2 1 253.390 1.045 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001269296382 903670957 /nfs/dbraw/zinc/67/09/57/903670957.db2.gz MXLHRKDVWBCWHP-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001270166186 904409703 /nfs/dbraw/zinc/40/97/03/904409703.db2.gz TZGJWPPIDNDSNF-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001270211284 904447117 /nfs/dbraw/zinc/44/71/17/904447117.db2.gz RKSVWQBLMNKAEV-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCC1 ZINC001270431888 904632518 /nfs/dbraw/zinc/63/25/18/904632518.db2.gz QGXUFXORBWGMMS-HOCLYGCPSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001270624373 904832721 /nfs/dbraw/zinc/83/27/21/904832721.db2.gz PEJBHQVWIJVFFL-GOEBONIOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001482434026 905394480 /nfs/dbraw/zinc/39/44/80/905394480.db2.gz NDMZEXIMIOIGQK-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001482435356 905402204 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30 CDEEMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001483811878 915094720 /nfs/dbraw/zinc/09/47/20/915094720.db2.gz DRSVELXXZJZKQC-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001483811878 915094738 /nfs/dbraw/zinc/09/47/38/915094738.db2.gz DRSVELXXZJZKQC-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001483811878 915094753 /nfs/dbraw/zinc/09/47/53/915094753.db2.gz DRSVELXXZJZKQC-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001484161691 915485216 /nfs/dbraw/zinc/48/52/16/915485216.db2.gz YHKIUMQHBVNPLL-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001484161691 915485224 /nfs/dbraw/zinc/48/52/24/915485224.db2.gz YHKIUMQHBVNPLL-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001484161691 915485232 /nfs/dbraw/zinc/48/52/32/915485232.db2.gz YHKIUMQHBVNPLL-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001484378290 915692406 /nfs/dbraw/zinc/69/24/06/915692406.db2.gz WOUUXKQXOFTEKJ-GJZGRUSLSA-N 2 1 295.471 1.834 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001485040924 916404439 /nfs/dbraw/zinc/40/44/39/916404439.db2.gz OBHZXMBSVHBHLM-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485323841 916841590 /nfs/dbraw/zinc/84/15/90/916841590.db2.gz VBZBYMPNDMPPGF-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001485323841 916841597 /nfs/dbraw/zinc/84/15/97/916841597.db2.gz VBZBYMPNDMPPGF-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001485323841 916841602 /nfs/dbraw/zinc/84/16/02/916841602.db2.gz VBZBYMPNDMPPGF-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001280470991 919863278 /nfs/dbraw/zinc/86/32/78/919863278.db2.gz KIFRSEAFAPDHIF-ZDUSSCGKSA-N 2 1 265.401 1.285 10 30 CDEEMP CC#CC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001486375233 920956591 /nfs/dbraw/zinc/95/65/91/920956591.db2.gz BVDJRHGUGOUTRF-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001486375233 920956607 /nfs/dbraw/zinc/95/66/07/920956607.db2.gz BVDJRHGUGOUTRF-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001486375233 920956622 /nfs/dbraw/zinc/95/66/22/920956622.db2.gz BVDJRHGUGOUTRF-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001486375233 920956632 /nfs/dbraw/zinc/95/66/32/920956632.db2.gz BVDJRHGUGOUTRF-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491018685 936843091 /nfs/dbraw/zinc/84/30/91/936843091.db2.gz QCKPXRQQPLMOPQ-APIJFGDWSA-N 2 1 279.428 1.530 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001491504100 936926304 /nfs/dbraw/zinc/92/63/04/936926304.db2.gz ISAJUPQTJPMMFO-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001568453543 1169297186 /nfs/dbraw/zinc/29/71/86/1169297186.db2.gz UJBBPVHGYJNJHS-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CCN(c2cc(C)cc[nH+]2)CC1 ZINC001149606322 937193858 /nfs/dbraw/zinc/19/38/58/937193858.db2.gz LDPLGGNDRONCEP-UHFFFAOYSA-N 2 1 288.395 1.156 10 30 CDEEMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCCC[C@@H]1C ZINC000852859339 927898225 /nfs/dbraw/zinc/89/82/25/927898225.db2.gz SARHSNXAXIKYOK-LSDHHAIUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001568516138 1169340997 /nfs/dbraw/zinc/34/09/97/1169340997.db2.gz UCBODFGRVDBQLA-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(Cl)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000820073646 930877719 /nfs/dbraw/zinc/87/77/19/930877719.db2.gz CWBWEELFRYDHJJ-LBPRGKRZSA-N 2 1 290.839 1.310 10 30 CDEEMP C=C(Cl)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000820073646 930877724 /nfs/dbraw/zinc/87/77/24/930877724.db2.gz CWBWEELFRYDHJJ-LBPRGKRZSA-N 2 1 290.839 1.310 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001274230145 931483594 /nfs/dbraw/zinc/48/35/94/931483594.db2.gz WTGVTBNQUSWYDZ-OCCSQVGLSA-N 2 1 276.384 1.204 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001274368455 931494401 /nfs/dbraw/zinc/49/44/01/931494401.db2.gz LMQJAEMKBSJORE-XVWMLYKFSA-N 2 1 279.428 1.556 10 30 CDEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001276146651 932565700 /nfs/dbraw/zinc/56/57/00/932565700.db2.gz HQJCAZNRHMRRNG-HZPDHXFCSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CCO[C@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001204961980 939809382 /nfs/dbraw/zinc/80/93/82/939809382.db2.gz YUQXKCORSQLVMV-HNNXBMFYSA-N 2 1 252.402 1.995 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001276976549 941762344 /nfs/dbraw/zinc/76/23/44/941762344.db2.gz FADBVILBXDQLCU-JYJNAYRXSA-N 2 1 291.439 1.367 10 30 CDEEMP CC#CC[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001277441981 942579008 /nfs/dbraw/zinc/57/90/08/942579008.db2.gz WIKCTIDQQHDDQR-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001281939418 942633400 /nfs/dbraw/zinc/63/34/00/942633400.db2.gz FZAHHTPESDIHCD-GJZGRUSLSA-N 2 1 299.434 1.775 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](F)C[NH+](CC)CC ZINC001281939416 942633759 /nfs/dbraw/zinc/63/37/59/942633759.db2.gz FZAHHTPESDIHCD-CABCVRRESA-N 2 1 299.434 1.775 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001282240009 942682992 /nfs/dbraw/zinc/68/29/92/942682992.db2.gz AYJIFBZMUMKSLG-STQMWFEESA-N 2 1 255.406 1.386 10 30 CDEEMP 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CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420384478 376343822 /nfs/dbraw/zinc/34/38/22/376343822.db2.gz DWLAPKOTPZGSDO-HZPDHXFCSA-N 2 1 291.439 1.651 10 30 CDEEMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247983809 377192682 /nfs/dbraw/zinc/19/26/82/377192682.db2.gz IPZIODZQTKBYQB-JKSUJKDBSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247983809 377192689 /nfs/dbraw/zinc/19/26/89/377192689.db2.gz IPZIODZQTKBYQB-JKSUJKDBSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983809 377192697 /nfs/dbraw/zinc/19/26/97/377192697.db2.gz IPZIODZQTKBYQB-JKSUJKDBSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247983809 377192705 /nfs/dbraw/zinc/19/27/05/377192705.db2.gz IPZIODZQTKBYQB-JKSUJKDBSA-N 2 1 291.439 1.603 10 30 CDEEMP C[N@H+](Cc1cccc(C#N)c1)CC1CC[NH+](CCO)CC1 ZINC000070040919 379340434 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C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001665681436 1173037043 /nfs/dbraw/zinc/03/70/43/1173037043.db2.gz GCSGKSLNPDDKOJ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000662081757 414503797 /nfs/dbraw/zinc/50/37/97/414503797.db2.gz RVWZWELCFRWXHW-OAGGEKHMSA-N 2 1 291.439 1.722 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000662081757 414503805 /nfs/dbraw/zinc/50/38/05/414503805.db2.gz RVWZWELCFRWXHW-OAGGEKHMSA-N 2 1 291.439 1.722 10 30 CDEEMP CC(C)[N@@H+](CCCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043689092 175095445 /nfs/dbraw/zinc/09/54/45/175095445.db2.gz AMJYJHYQHLNHOO-UHFFFAOYSA-N 2 1 266.410 1.651 10 30 CDEEMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000071145424 176041836 /nfs/dbraw/zinc/04/18/36/176041836.db2.gz NKOWMSCXRAIYPY-AWEZNQCLSA-N 2 1 286.379 1.428 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001666526298 1173145875 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CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001481059613 1159507060 /nfs/dbraw/zinc/50/70/60/1159507060.db2.gz UCWVOSVDTHZTSG-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001481059613 1159507064 /nfs/dbraw/zinc/50/70/64/1159507064.db2.gz UCWVOSVDTHZTSG-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001481059613 1159507066 /nfs/dbraw/zinc/50/70/66/1159507066.db2.gz UCWVOSVDTHZTSG-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268068002 1159774091 /nfs/dbraw/zinc/77/40/91/1159774091.db2.gz IFIBOZSPWGMMBK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001270111800 1160090600 /nfs/dbraw/zinc/09/06/00/1160090600.db2.gz AFZKDAAREKETGY-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000684212504 482704959 /nfs/dbraw/zinc/70/49/59/482704959.db2.gz TZDNUFJMWSZPAI-KSZLIROESA-N 2 1 286.419 1.987 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212504 482704963 /nfs/dbraw/zinc/70/49/63/482704963.db2.gz TZDNUFJMWSZPAI-KSZLIROESA-N 2 1 286.419 1.987 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000684212504 482704968 /nfs/dbraw/zinc/70/49/68/482704968.db2.gz TZDNUFJMWSZPAI-KSZLIROESA-N 2 1 286.419 1.987 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001691661055 1161442066 /nfs/dbraw/zinc/44/20/66/1161442066.db2.gz LURJPNGSNIZRFD-AWEZNQCLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001691661055 1161442068 /nfs/dbraw/zinc/44/20/68/1161442068.db2.gz LURJPNGSNIZRFD-AWEZNQCLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691661055 1161442070 /nfs/dbraw/zinc/44/20/70/1161442070.db2.gz LURJPNGSNIZRFD-AWEZNQCLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691661055 1161442072 /nfs/dbraw/zinc/44/20/72/1161442072.db2.gz LURJPNGSNIZRFD-AWEZNQCLSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001715829013 1179854468 /nfs/dbraw/zinc/85/44/68/1179854468.db2.gz REQALKMPCZGZFS-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(C)C ZINC001716482342 1180244307 /nfs/dbraw/zinc/24/43/07/1180244307.db2.gz IUAYUGVXVFIVHO-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(C)C ZINC001716482342 1180244313 /nfs/dbraw/zinc/24/43/13/1180244313.db2.gz IUAYUGVXVFIVHO-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(C)C ZINC001716482342 1180244330 /nfs/dbraw/zinc/24/43/30/1180244330.db2.gz IUAYUGVXVFIVHO-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(C)C ZINC001716482342 1180244333 /nfs/dbraw/zinc/24/43/33/1180244333.db2.gz IUAYUGVXVFIVHO-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001717705132 1180796058 /nfs/dbraw/zinc/79/60/58/1180796058.db2.gz HJAVNMBQPQPDFI-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725597246 1182069049 /nfs/dbraw/zinc/06/90/49/1182069049.db2.gz RYDQYOYPKNAUPE-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731806500 1182594741 /nfs/dbraw/zinc/59/47/41/1182594741.db2.gz AULFQTWJFVRRAS-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001731806500 1182594749 /nfs/dbraw/zinc/59/47/49/1182594749.db2.gz AULFQTWJFVRRAS-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001731806500 1182594756 /nfs/dbraw/zinc/59/47/56/1182594756.db2.gz AULFQTWJFVRRAS-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001690164688 1175391382 /nfs/dbraw/zinc/39/13/82/1175391382.db2.gz LHRUOZCBWBDOLZ-HZPDHXFCSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221122 613026369 /nfs/dbraw/zinc/02/63/69/613026369.db2.gz LHMHJHSURXZZDC-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893675 613229279 /nfs/dbraw/zinc/22/92/79/613229279.db2.gz SQGCYORRDHVITH-CQSZACIVSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893675 613229282 /nfs/dbraw/zinc/22/92/82/613229282.db2.gz SQGCYORRDHVITH-CQSZACIVSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842626 613229970 /nfs/dbraw/zinc/22/99/70/613229970.db2.gz KUDDVCGKVBZOPH-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842626 613229972 /nfs/dbraw/zinc/22/99/72/613229972.db2.gz KUDDVCGKVBZOPH-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842626 613229974 /nfs/dbraw/zinc/22/99/74/613229974.db2.gz KUDDVCGKVBZOPH-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002242 613257710 /nfs/dbraw/zinc/25/77/10/613257710.db2.gz FHQYQAGYIIFFLC-HNNXBMFYSA-N 2 1 291.439 1.178 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923427587 618335893 /nfs/dbraw/zinc/33/58/93/618335893.db2.gz SPQKCMVJCZDSNP-MRXNPFEDSA-N 2 1 285.391 1.810 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@H+]2CC[NH2+]CCC23CCC3)cc1 ZINC000923427587 618335903 /nfs/dbraw/zinc/33/59/03/618335903.db2.gz SPQKCMVJCZDSNP-MRXNPFEDSA-N 2 1 285.391 1.810 10 30 CDEEMP C=C[C@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914766 626134361 /nfs/dbraw/zinc/13/43/61/626134361.db2.gz VWNYLXPDTUAXFD-ZBFHGGJFSA-N 2 1 276.428 1.886 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000912282328 629890631 /nfs/dbraw/zinc/89/06/31/629890631.db2.gz CJRVKFNINOTCHN-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC2CCC2)CC1 ZINC001691000862 1158524372 /nfs/dbraw/zinc/52/43/72/1158524372.db2.gz VJXVDFRBJUNHAU-UHFFFAOYSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001691989262 1158653988 /nfs/dbraw/zinc/65/39/88/1158653988.db2.gz CRPGJPFXTSXTNB-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001691989262 1158653993 /nfs/dbraw/zinc/65/39/93/1158653993.db2.gz CRPGJPFXTSXTNB-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001691989262 1158654002 /nfs/dbraw/zinc/65/40/02/1158654002.db2.gz CRPGJPFXTSXTNB-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001691211068 1158959630 /nfs/dbraw/zinc/95/96/30/1158959630.db2.gz JMZWZVASMIRUBL-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001691211068 1158959634 /nfs/dbraw/zinc/95/96/34/1158959634.db2.gz JMZWZVASMIRUBL-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001691211068 1158959637 /nfs/dbraw/zinc/95/96/37/1158959637.db2.gz JMZWZVASMIRUBL-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266994579 1159073613 /nfs/dbraw/zinc/07/36/13/1159073613.db2.gz NPUDUNUWKUSNQY-HOCLYGCPSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482102233 1159981067 /nfs/dbraw/zinc/98/10/67/1159981067.db2.gz RJYPKORGJUWEEZ-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483051897 1160711230 /nfs/dbraw/zinc/71/12/30/1160711230.db2.gz YZUSGAYUGDSEEP-KXLSMFKISA-N 2 1 277.412 1.002 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484167691 1161257086 /nfs/dbraw/zinc/25/70/86/1161257086.db2.gz GOFJPMKZVGWINJ-NVXWUHKLSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001644638379 1167332214 /nfs/dbraw/zinc/33/22/14/1167332214.db2.gz PLEVNOHOOFMYTO-JYJNAYRXSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001567063285 1168540522 /nfs/dbraw/zinc/54/05/22/1168540522.db2.gz ZTXYXTIDEXJABB-ZDUSSCGKSA-N 2 1 276.384 1.089 10 30 CDEEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001647446452 1168701686 /nfs/dbraw/zinc/70/16/86/1168701686.db2.gz CFJMQMWRINVJLD-OIISXLGYSA-N 2 1 287.407 1.761 10 30 CDEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC001647446452 1168701697 /nfs/dbraw/zinc/70/16/97/1168701697.db2.gz CFJMQMWRINVJLD-OIISXLGYSA-N 2 1 287.407 1.761 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001567752109 1168953480 /nfs/dbraw/zinc/95/34/80/1168953480.db2.gz FSEZTFYMSOWDFU-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001568021539 1169120609 /nfs/dbraw/zinc/12/06/09/1169120609.db2.gz FWWWRQVEBBWLJH-KRWDZBQOSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001568121847 1169140182 /nfs/dbraw/zinc/14/01/82/1169140182.db2.gz PWAORJHGJBYAIT-KRWDZBQOSA-N 2 1 299.418 1.367 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001568453541 1169295858 /nfs/dbraw/zinc/29/58/58/1169295858.db2.gz UJBBPVHGYJNJHS-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568969946 1169568473 /nfs/dbraw/zinc/56/84/73/1169568473.db2.gz RFTAGBRVXWPSFY-LZNQSLFOSA-N 2 1 279.428 1.699 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001569543867 1169918708 /nfs/dbraw/zinc/91/87/08/1169918708.db2.gz BMBNUHZJVCGVLH-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001570561500 1170189521 /nfs/dbraw/zinc/18/95/21/1170189521.db2.gz VWLKGJWPPKXLLP-GPANFISMSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC001586902194 1172965961 /nfs/dbraw/zinc/96/59/61/1172965961.db2.gz KSOUDPXQMVEJOD-UHFFFAOYSA-N 2 1 279.428 1.581 10 30 CDEEMP C#CC[NH+]1CCC(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001666389356 1173131335 /nfs/dbraw/zinc/13/13/35/1173131335.db2.gz IQHFWMFFKFOWQQ-UHFFFAOYSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001666920832 1173207526 /nfs/dbraw/zinc/20/75/26/1173207526.db2.gz KSBQQSDVUUNFNY-LBPRGKRZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001690584303 1175512294 /nfs/dbraw/zinc/51/22/94/1175512294.db2.gz JYAHRCLXWTWMFJ-CYBMUJFWSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC=C ZINC001690587480 1175514014 /nfs/dbraw/zinc/51/40/14/1175514014.db2.gz RKZUVMFUKKWPSF-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC=C ZINC001690587480 1175514019 /nfs/dbraw/zinc/51/40/19/1175514019.db2.gz RKZUVMFUKKWPSF-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690811522 1175579226 /nfs/dbraw/zinc/57/92/26/1175579226.db2.gz TXCMIJZRVLGVJO-LSDHHAIUSA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691897815 1175647628 /nfs/dbraw/zinc/64/76/28/1175647628.db2.gz CHQUSSPZHXDLCJ-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691897815 1175647632 /nfs/dbraw/zinc/64/76/32/1175647632.db2.gz CHQUSSPZHXDLCJ-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001692236965 1175710642 /nfs/dbraw/zinc/71/06/42/1175710642.db2.gz VOBSNJLPFIYIGL-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCC1 ZINC001698806178 1175940405 /nfs/dbraw/zinc/94/04/05/1175940405.db2.gz LMXTXDNGMYFMDN-UHFFFAOYSA-N 2 1 267.417 1.533 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001698831834 1175954967 /nfs/dbraw/zinc/95/49/67/1175954967.db2.gz IKLAXPAXUYTPDK-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001698845665 1175960701 /nfs/dbraw/zinc/96/07/01/1175960701.db2.gz MWJZXISGJPBCKU-GXTWGEPZSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001699384958 1176343501 /nfs/dbraw/zinc/34/35/01/1176343501.db2.gz WJSDPTKZYQWVQT-GDBMZVCRSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001699723580 1176590338 /nfs/dbraw/zinc/59/03/38/1176590338.db2.gz XKICBKWLCRNBCC-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001700531694 1176999080 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CC#CC[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001485935174 920600126 /nfs/dbraw/zinc/60/01/26/920600126.db2.gz PIYRUXORSRNSDW-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001486092866 920692199 /nfs/dbraw/zinc/69/21/99/920692199.db2.gz IEZPKLLFNVROCU-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001486220305 920829018 /nfs/dbraw/zinc/82/90/18/920829018.db2.gz KFFFHJKHISTGFI-KBPBESRZSA-N 2 1 276.384 1.252 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491153407 936865933 /nfs/dbraw/zinc/86/59/33/936865933.db2.gz KVPBYORJQWWASC-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001491472350 936921657 /nfs/dbraw/zinc/92/16/57/936921657.db2.gz BRJQUINTLOCDCK-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001568400106 1169272191 /nfs/dbraw/zinc/27/21/91/1169272191.db2.gz CWAHLKPTKKOSDF-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488664712 926643193 /nfs/dbraw/zinc/64/31/93/926643193.db2.gz VGIZJGQATYNRSB-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488664712 926643201 /nfs/dbraw/zinc/64/32/01/926643201.db2.gz VGIZJGQATYNRSB-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488664712 926643205 /nfs/dbraw/zinc/64/32/05/926643205.db2.gz VGIZJGQATYNRSB-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495298767 926962858 /nfs/dbraw/zinc/96/28/58/926962858.db2.gz KGVYHIDCHVRKHY-WMLDXEAASA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001276258567 932694300 /nfs/dbraw/zinc/69/43/00/932694300.db2.gz JQKPPSXXQWUYKS-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C[C@H]([NH2+]C[C@H](O)CC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732563 937752192 /nfs/dbraw/zinc/75/21/92/937752192.db2.gz MTSFHWPWQRVBAT-GZBFAFLISA-N 2 1 265.401 1.504 10 30 CDEEMP C[C@H]([NH2+]C[C@H](O)CC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119732563 937752194 /nfs/dbraw/zinc/75/21/94/937752194.db2.gz MTSFHWPWQRVBAT-GZBFAFLISA-N 2 1 265.401 1.504 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001276890447 941677281 /nfs/dbraw/zinc/67/72/81/941677281.db2.gz BXTJOKLWHUGHNZ-ZFWWWQNUSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001276890447 941677283 /nfs/dbraw/zinc/67/72/83/941677283.db2.gz BXTJOKLWHUGHNZ-ZFWWWQNUSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC)CC1 ZINC001277080403 941923744 /nfs/dbraw/zinc/92/37/44/941923744.db2.gz RARGREDRTDBVIG-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC)CC1 ZINC001277080403 941923749 /nfs/dbraw/zinc/92/37/49/941923749.db2.gz RARGREDRTDBVIG-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001280884272 942501985 /nfs/dbraw/zinc/50/19/85/942501985.db2.gz XXLSAETUADACHF-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC ZINC001282401981 942706047 /nfs/dbraw/zinc/70/60/47/942706047.db2.gz KPNSRUIDQWWWDE-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC ZINC001282401981 942706051 /nfs/dbraw/zinc/70/60/51/942706051.db2.gz KPNSRUIDQWWWDE-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC ZINC001282401981 942706056 /nfs/dbraw/zinc/70/60/56/942706056.db2.gz KPNSRUIDQWWWDE-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC ZINC001282401981 942706061 /nfs/dbraw/zinc/70/60/61/942706061.db2.gz KPNSRUIDQWWWDE-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282461133 942716628 /nfs/dbraw/zinc/71/66/28/942716628.db2.gz KFIALMNJLAFDQM-STQMWFEESA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001282724961 942745724 /nfs/dbraw/zinc/74/57/24/942745724.db2.gz MBUNETPSMRTMPZ-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282743971 942749344 /nfs/dbraw/zinc/74/93/44/942749344.db2.gz GTJXBUJYLNZVLG-GFCCVEGCSA-N 2 1 276.384 1.204 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]C(C)C ZINC001283188106 942849802 /nfs/dbraw/zinc/84/98/02/942849802.db2.gz DFTOYWDCXSAGGW-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]C(C)C ZINC001283188106 942849805 /nfs/dbraw/zinc/84/98/05/942849805.db2.gz DFTOYWDCXSAGGW-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001283220477 942860001 /nfs/dbraw/zinc/86/00/01/942860001.db2.gz BPOHXYDLPUNIGU-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001277899427 943958279 /nfs/dbraw/zinc/95/82/79/943958279.db2.gz CTONOUFYFJUAJV-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC ZINC001264054215 944071905 /nfs/dbraw/zinc/07/19/05/944071905.db2.gz DRYTVKGVBIXTJN-SOUVJXGZSA-N 2 1 297.418 1.269 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001265095256 944227414 /nfs/dbraw/zinc/22/74/14/944227414.db2.gz SCDBHFRSMHZGHF-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586475 944438602 /nfs/dbraw/zinc/43/86/02/944438602.db2.gz HZFUFOGEEBCMBR-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586475 944438604 /nfs/dbraw/zinc/43/86/04/944438604.db2.gz HZFUFOGEEBCMBR-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cncc1C ZINC001265648743 944456667 /nfs/dbraw/zinc/45/66/67/944456667.db2.gz FNLQTVSBAOZUCW-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001265648743 944456673 /nfs/dbraw/zinc/45/66/73/944456673.db2.gz FNLQTVSBAOZUCW-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001266151967 944718490 /nfs/dbraw/zinc/71/84/90/944718490.db2.gz JJHGNKTZWBRWGZ-QDDHOEGMSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\Cl ZINC001266151967 944718493 /nfs/dbraw/zinc/71/84/93/944718493.db2.gz JJHGNKTZWBRWGZ-QDDHOEGMSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001266234235 944774283 /nfs/dbraw/zinc/77/42/83/944774283.db2.gz ABICVKMCBNDGRT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278324092 946152355 /nfs/dbraw/zinc/15/23/55/946152355.db2.gz CICQKHNLSJXSCC-CHWSQXEVSA-N 2 1 253.390 1.092 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479271915 971281525 /nfs/dbraw/zinc/28/15/25/971281525.db2.gz QTUHRKZHZSYSRR-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278410727 947759021 /nfs/dbraw/zinc/75/90/21/947759021.db2.gz NKUNJZBFSGZBSZ-MRXNPFEDSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278410727 947759030 /nfs/dbraw/zinc/75/90/30/947759030.db2.gz NKUNJZBFSGZBSZ-MRXNPFEDSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001278929753 948272181 /nfs/dbraw/zinc/27/21/81/948272181.db2.gz KULTVODVYMUJGC-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278459804 948383506 /nfs/dbraw/zinc/38/35/06/948383506.db2.gz OHOCCMMLRZCJIH-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001279005772 948562187 /nfs/dbraw/zinc/56/21/87/948562187.db2.gz DWXXSSQKQNJLOG-KGLIPLIRSA-N 2 1 290.411 1.745 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001279005771 948562251 /nfs/dbraw/zinc/56/22/51/948562251.db2.gz DWXXSSQKQNJLOG-KBPBESRZSA-N 2 1 290.411 1.745 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187797 971617367 /nfs/dbraw/zinc/61/73/67/971617367.db2.gz DRMYNYZSDSSRNN-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001569086765 1169638638 /nfs/dbraw/zinc/63/86/38/1169638638.db2.gz HIZSCCHHIUILDZ-ZDUSSCGKSA-N 2 1 276.384 1.089 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001480384852 971695591 /nfs/dbraw/zinc/69/55/91/971695591.db2.gz AVSNXSIQXGIVNM-UKRRQHHQSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001480384852 971695597 /nfs/dbraw/zinc/69/55/97/971695597.db2.gz AVSNXSIQXGIVNM-UKRRQHHQSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001493376387 972036054 /nfs/dbraw/zinc/03/60/54/972036054.db2.gz BCPCBWCOGJEQIP-UHFFFAOYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001493376387 972036060 /nfs/dbraw/zinc/03/60/60/972036060.db2.gz BCPCBWCOGJEQIP-UHFFFAOYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001493376387 972036064 /nfs/dbraw/zinc/03/60/64/972036064.db2.gz BCPCBWCOGJEQIP-UHFFFAOYSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001328869582 955526613 /nfs/dbraw/zinc/52/66/13/955526613.db2.gz SBWOTYYTVWMDQU-GPANFISMSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001329460659 955928852 /nfs/dbraw/zinc/92/88/52/955928852.db2.gz RFVDVDIPCPLBLN-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001329460659 955928865 /nfs/dbraw/zinc/92/88/65/955928865.db2.gz RFVDVDIPCPLBLN-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001329460659 955928876 /nfs/dbraw/zinc/92/88/76/955928876.db2.gz RFVDVDIPCPLBLN-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001317221885 955928898 /nfs/dbraw/zinc/92/88/98/955928898.db2.gz SADJDXBUFDPZJX-FHERZECASA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(CN(C)C)on1 ZINC001329475232 955937655 /nfs/dbraw/zinc/93/76/55/955937655.db2.gz UGPMZYGPXNEFJX-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475232 955937660 /nfs/dbraw/zinc/93/76/60/955937660.db2.gz UGPMZYGPXNEFJX-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001329475232 955937663 /nfs/dbraw/zinc/93/76/63/955937663.db2.gz UGPMZYGPXNEFJX-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001493978800 972150437 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30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317506207 957518318 /nfs/dbraw/zinc/51/83/18/957518318.db2.gz XKJGWQGNVDCCDE-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317506207 957518321 /nfs/dbraw/zinc/51/83/21/957518321.db2.gz XKJGWQGNVDCCDE-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001317517574 957526211 /nfs/dbraw/zinc/52/62/11/957526211.db2.gz SLQOJEODOTYWPD-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001425683327 957599380 /nfs/dbraw/zinc/59/93/80/957599380.db2.gz NJHRKBHBMCQFHV-RYUDHWBXSA-N 2 1 273.808 1.127 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001492483973 957706038 /nfs/dbraw/zinc/70/60/38/957706038.db2.gz FNKLVKZASYEQER-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCCCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318061505 957895647 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C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001323107302 960456899 /nfs/dbraw/zinc/45/68/99/960456899.db2.gz ADMOGTDHWGLJQR-CABCVRRESA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001324273342 961278109 /nfs/dbraw/zinc/27/81/09/961278109.db2.gz KYGQRQIIICRJAV-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001439781751 963857748 /nfs/dbraw/zinc/85/77/48/963857748.db2.gz CTUGBQPFMUQZSK-OLZOCXBDSA-N 2 1 285.819 1.271 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC001544078244 967335113 /nfs/dbraw/zinc/33/51/13/967335113.db2.gz DPVQKLDJQQTRFM-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001355391299 969142779 /nfs/dbraw/zinc/14/27/79/969142779.db2.gz WSRXDHDJRZRWAG-NFAWXSAZSA-N 2 1 265.401 1.080 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001515597359 969904637 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CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001498659544 974013090 /nfs/dbraw/zinc/01/30/90/974013090.db2.gz ZVZOBVRMANHJAI-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001498808667 974068719 /nfs/dbraw/zinc/06/87/19/974068719.db2.gz XDXACQBWEZXAEH-HOTGVXAUSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001500281255 974413853 /nfs/dbraw/zinc/41/38/53/974413853.db2.gz SVQVYNOMFLNSSH-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500281255 974413854 /nfs/dbraw/zinc/41/38/54/974413854.db2.gz SVQVYNOMFLNSSH-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001500281255 974413858 /nfs/dbraw/zinc/41/38/58/974413858.db2.gz SVQVYNOMFLNSSH-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC)C1 ZINC001500354651 974425782 /nfs/dbraw/zinc/42/57/82/974425782.db2.gz WLJPAWLHGMEYLX-DOTOQJQBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC)C1 ZINC001500354651 974425787 /nfs/dbraw/zinc/42/57/87/974425787.db2.gz WLJPAWLHGMEYLX-DOTOQJQBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001500396337 974430749 /nfs/dbraw/zinc/43/07/49/974430749.db2.gz ASNZRSYISWADBR-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001505940087 975052954 /nfs/dbraw/zinc/05/29/54/975052954.db2.gz VMBYQYYQKGSLEH-KBPBESRZSA-N 2 1 269.433 1.585 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC)C(C)C ZINC001506179920 975121672 /nfs/dbraw/zinc/12/16/72/975121672.db2.gz ZNOWVXMDCPDSDJ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[C@@H]([NH2+]CC)C(C)C ZINC001506179920 975121674 /nfs/dbraw/zinc/12/16/74/975121674.db2.gz ZNOWVXMDCPDSDJ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507113306 975342295 /nfs/dbraw/zinc/34/22/95/975342295.db2.gz JWORLTLCASKVFR-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001507289609 975400613 /nfs/dbraw/zinc/40/06/13/975400613.db2.gz SLPOGYYKWOJABG-ZIAGYGMSSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507398293 975452133 /nfs/dbraw/zinc/45/21/33/975452133.db2.gz ISOVOJGKZPEEPE-CABCVRRESA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001507963119 975569463 /nfs/dbraw/zinc/56/94/63/975569463.db2.gz GMZDZLJPAOPARQ-KGLIPLIRSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001569824298 1170007792 /nfs/dbraw/zinc/00/77/92/1170007792.db2.gz PMASRQHFTHPBSB-UKRRQHHQSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001674233528 1173926454 /nfs/dbraw/zinc/92/64/54/1173926454.db2.gz RJQUBSMNTJTTBG-BBRMVZONSA-N 2 1 297.418 1.317 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001677033320 1174309340 /nfs/dbraw/zinc/30/93/40/1174309340.db2.gz XETRJAYOIKICFJ-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)CC[N@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570069755 1170071797 /nfs/dbraw/zinc/07/17/97/1170071797.db2.gz HFVNENRBMZECPB-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+]1CCOC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570069755 1170071801 /nfs/dbraw/zinc/07/18/01/1170071801.db2.gz HFVNENRBMZECPB-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000594439403 342906572 /nfs/dbraw/zinc/90/65/72/342906572.db2.gz VLYGGUMWTROQLV-AWEZNQCLSA-N 2 1 278.400 1.094 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000594439419 342906741 /nfs/dbraw/zinc/90/67/41/342906741.db2.gz VTOPSCASUCYWMT-KBPBESRZSA-N 2 1 278.400 1.094 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000594439419 342906742 /nfs/dbraw/zinc/90/67/42/342906742.db2.gz VTOPSCASUCYWMT-KBPBESRZSA-N 2 1 278.400 1.094 10 30 CDEEMP CC[C@@](C)(C#N)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000597942708 343674360 /nfs/dbraw/zinc/67/43/60/343674360.db2.gz LROVEEYLCRSNSK-ZFWWWQNUSA-N 2 1 282.432 1.314 10 30 CDEEMP CC[C@@](C)(C#N)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000597942708 343674361 /nfs/dbraw/zinc/67/43/61/343674361.db2.gz LROVEEYLCRSNSK-ZFWWWQNUSA-N 2 1 282.432 1.314 10 30 CDEEMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292096475 198160798 /nfs/dbraw/zinc/16/07/98/198160798.db2.gz HJWHHLRWCTXJDE-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292096475 198160800 /nfs/dbraw/zinc/16/08/00/198160800.db2.gz HJWHHLRWCTXJDE-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292096475 198160801 /nfs/dbraw/zinc/16/08/01/198160801.db2.gz HJWHHLRWCTXJDE-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292096475 198160803 /nfs/dbraw/zinc/16/08/03/198160803.db2.gz HJWHHLRWCTXJDE-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001660330706 1172198037 /nfs/dbraw/zinc/19/80/37/1172198037.db2.gz WHOHLMUZMMYQIU-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001660330706 1172198042 /nfs/dbraw/zinc/19/80/42/1172198042.db2.gz WHOHLMUZMMYQIU-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001660330706 1172198047 /nfs/dbraw/zinc/19/80/47/1172198047.db2.gz WHOHLMUZMMYQIU-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721403 357458883 /nfs/dbraw/zinc/45/88/83/357458883.db2.gz YFNQKIKCVBLJCH-DLBZAZTESA-N 2 1 290.407 1.150 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721403 357458884 /nfs/dbraw/zinc/45/88/84/357458884.db2.gz YFNQKIKCVBLJCH-DLBZAZTESA-N 2 1 290.407 1.150 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001660529422 1172229680 /nfs/dbraw/zinc/22/96/80/1172229680.db2.gz VTMZOWVHNHPCAZ-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001660529422 1172229690 /nfs/dbraw/zinc/22/96/90/1172229690.db2.gz VTMZOWVHNHPCAZ-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001660529422 1172229700 /nfs/dbraw/zinc/22/97/00/1172229700.db2.gz VTMZOWVHNHPCAZ-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CC[N@H+](C2CC2)C1 ZINC000594436316 358624586 /nfs/dbraw/zinc/62/45/86/358624586.db2.gz DBAWWIWMPYCKQS-UONOGXRCSA-N 2 1 278.400 1.093 10 30 CDEEMP C[C@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000566923464 370837254 /nfs/dbraw/zinc/83/72/54/370837254.db2.gz KRTOXBNBWKIFRA-AWEZNQCLSA-N 2 1 280.416 1.022 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420384477 376344675 /nfs/dbraw/zinc/34/46/75/376344675.db2.gz DWLAPKOTPZGSDO-HOTGVXAUSA-N 2 1 291.439 1.651 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420384477 376344681 /nfs/dbraw/zinc/34/46/81/376344681.db2.gz DWLAPKOTPZGSDO-HOTGVXAUSA-N 2 1 291.439 1.651 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247197258 377064616 /nfs/dbraw/zinc/06/46/16/377064616.db2.gz WXNGMKLJMKYEMH-TZMCWYRMSA-N 2 1 276.384 1.347 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000247197258 377064622 /nfs/dbraw/zinc/06/46/22/377064622.db2.gz WXNGMKLJMKYEMH-TZMCWYRMSA-N 2 1 276.384 1.347 10 30 CDEEMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001662791915 1172593729 /nfs/dbraw/zinc/59/37/29/1172593729.db2.gz SSXKOCIYOWLVPX-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001663638451 1172737557 /nfs/dbraw/zinc/73/75/57/1172737557.db2.gz GOBXXOFCTOYLKW-AWEZNQCLSA-N 2 1 265.401 1.096 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001664836207 1172918885 /nfs/dbraw/zinc/91/88/85/1172918885.db2.gz QPWMHBHLAPUUST-CVEARBPZSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001665216988 1172963625 /nfs/dbraw/zinc/96/36/25/1172963625.db2.gz XIRAXMBIMBMBEP-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP CC[NH+](CC)CC#C[C@H](CN1CCCC1)[NH+]1CCCC1 ZINC000022035596 171350010 /nfs/dbraw/zinc/35/00/10/171350010.db2.gz DKMIWYRCPXRAJT-QGZVFWFLSA-N 2 1 277.456 1.892 10 30 CDEEMP C=CC[C@]1(C(=O)NCCC[N@H+](C)CC(C)C)CCC[NH2+]1 ZINC000662826727 413557663 /nfs/dbraw/zinc/55/76/63/413557663.db2.gz BSFCKCQXRIPKIX-MRXNPFEDSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH+]1CCC(NCCC[NH+](CC)CC)CC1 ZINC000037210993 173032457 /nfs/dbraw/zinc/03/24/57/173032457.db2.gz NUUYGZSDZYHUJI-UHFFFAOYSA-N 2 1 251.418 1.406 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000043427214 175040603 /nfs/dbraw/zinc/04/06/03/175040603.db2.gz LPYVZNWYAGHFKL-IRXDYDNUSA-N 2 1 270.376 1.750 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])[C@@H]1CCSC1 ZINC000043683653 175092365 /nfs/dbraw/zinc/09/23/65/175092365.db2.gz QEEWXMYBLFZUEZ-GFCCVEGCSA-N 2 1 266.435 1.996 10 30 CDEEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1cccc(C#CC[NH3+])c1 ZINC000071192979 176074878 /nfs/dbraw/zinc/07/48/78/176074878.db2.gz XDYIDBCSTFOGJT-HNNXBMFYSA-N 2 1 285.391 1.021 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)CCC)CCCC1 ZINC001666804742 1173187512 /nfs/dbraw/zinc/18/75/12/1173187512.db2.gz NXBUCUYNNNWBHX-UHFFFAOYSA-N 2 1 279.428 1.370 10 30 CDEEMP C=C(C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000119512365 267344077 /nfs/dbraw/zinc/34/40/77/267344077.db2.gz SEBUESAVYPBTHK-XYPWUTKMSA-N 2 1 263.429 1.805 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001671915973 1173721817 /nfs/dbraw/zinc/72/18/17/1173721817.db2.gz CFBCYGUMPHWQRL-WBVHZDCISA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001671915973 1173721823 /nfs/dbraw/zinc/72/18/23/1173721823.db2.gz CFBCYGUMPHWQRL-WBVHZDCISA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001671915973 1173721829 /nfs/dbraw/zinc/72/18/29/1173721829.db2.gz CFBCYGUMPHWQRL-WBVHZDCISA-N 2 1 291.439 1.180 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262852469 330035477 /nfs/dbraw/zinc/03/54/77/330035477.db2.gz XETGDPHGDDHXPA-KBPBESRZSA-N 2 1 294.443 1.192 10 30 CDEEMP CNC(=[NH2+])N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000270131098 330073901 /nfs/dbraw/zinc/07/39/01/330073901.db2.gz PAZWSEFJPGEPJO-GXTWGEPZSA-N 2 1 260.385 1.574 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267628537 1159550072 /nfs/dbraw/zinc/55/00/72/1159550072.db2.gz ZSPPFGGKJDDRMJ-LSDHHAIUSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482354207 1160169664 /nfs/dbraw/zinc/16/96/64/1160169664.db2.gz PDFDSWGVDCYFLO-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001270913502 1160228387 /nfs/dbraw/zinc/22/83/87/1160228387.db2.gz JXJWMNDNFSOLDF-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP CCN[C@@](C#N)(C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083525 520126912 /nfs/dbraw/zinc/12/69/12/520126912.db2.gz KWPAMQCRLFVYFC-INIZCTEOSA-N 2 1 278.444 1.542 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001733336176 1161238077 /nfs/dbraw/zinc/23/80/77/1161238077.db2.gz RIFILJVAFQNXMO-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001714618394 1179271025 /nfs/dbraw/zinc/27/10/25/1179271025.db2.gz LTZQZBCRBFRKKD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715225982 1179585552 /nfs/dbraw/zinc/58/55/52/1179585552.db2.gz DTPMTXNURVUTMB-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP CCN[C@@](C#N)(C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083525 520126907 /nfs/dbraw/zinc/12/69/07/520126907.db2.gz KWPAMQCRLFVYFC-INIZCTEOSA-N 2 1 278.444 1.542 10 30 CDEEMP C[C@H]1COCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609126 524722963 /nfs/dbraw/zinc/72/29/63/524722963.db2.gz BHRWQWPETVKGAC-AWEZNQCLSA-N 2 1 274.364 1.096 10 30 CDEEMP C[C@H]1COCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609126 524722969 /nfs/dbraw/zinc/72/29/69/524722969.db2.gz BHRWQWPETVKGAC-AWEZNQCLSA-N 2 1 274.364 1.096 10 30 CDEEMP [NH3+]CC#Cc1ccc(OCC[N@H+]2CCC[C@H](CO)C2)cc1 ZINC000049608318 527151471 /nfs/dbraw/zinc/15/14/71/527151471.db2.gz XGWRTDPICNPRBZ-INIZCTEOSA-N 2 1 288.391 1.080 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001690197141 1175402926 /nfs/dbraw/zinc/40/29/26/1175402926.db2.gz HJISORNWMGNNKS-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001690197141 1175402934 /nfs/dbraw/zinc/40/29/34/1175402934.db2.gz HJISORNWMGNNKS-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC[NH+]=C(NCc1c(C)noc1C)NC[C@@H]1CCC[N@H+]1C ZINC000157584511 617228876 /nfs/dbraw/zinc/22/88/76/617228876.db2.gz KXFBYOAFQDFICG-ZDUSSCGKSA-N 2 1 293.415 1.441 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618193 613581249 /nfs/dbraw/zinc/58/12/49/613581249.db2.gz QBHOGRPJCCIVSF-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618193 613581252 /nfs/dbraw/zinc/58/12/52/613581252.db2.gz QBHOGRPJCCIVSF-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618193 613581253 /nfs/dbraw/zinc/58/12/53/613581253.db2.gz QBHOGRPJCCIVSF-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C#N)ccn1 ZINC000902958877 625696223 /nfs/dbraw/zinc/69/62/23/625696223.db2.gz WIYNLIFBDKAMRW-LLVKDONJSA-N 2 1 255.325 1.580 10 30 CDEEMP CNC(NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)=[NH+]C ZINC000153556369 631696245 /nfs/dbraw/zinc/69/62/45/631696245.db2.gz NBAHOOATWJWPLG-MRXNPFEDSA-N 2 1 274.412 1.836 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](C)CCCC)CC1 ZINC000918209606 632342823 /nfs/dbraw/zinc/34/28/23/632342823.db2.gz PGBNERCXQPHROS-UHFFFAOYSA-N 2 1 294.443 1.115 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001690977580 1158511419 /nfs/dbraw/zinc/51/14/19/1158511419.db2.gz FEPHCUWBQNVGAD-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001690977580 1158511423 /nfs/dbraw/zinc/51/14/23/1158511423.db2.gz FEPHCUWBQNVGAD-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001691052178 1158840833 /nfs/dbraw/zinc/84/08/33/1158840833.db2.gz HXDFFHKXFHUXNG-UHFFFAOYSA-N 2 1 253.390 1.096 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001692112236 1159031159 /nfs/dbraw/zinc/03/11/59/1159031159.db2.gz ZJBDAPNFKCYYNM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001692112236 1159031167 /nfs/dbraw/zinc/03/11/67/1159031167.db2.gz ZJBDAPNFKCYYNM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691409400 1159056540 /nfs/dbraw/zinc/05/65/40/1159056540.db2.gz DGPQBWNXJSCQKO-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691409400 1159056548 /nfs/dbraw/zinc/05/65/48/1159056548.db2.gz DGPQBWNXJSCQKO-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691409400 1159056555 /nfs/dbraw/zinc/05/65/55/1159056555.db2.gz DGPQBWNXJSCQKO-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266994577 1159073549 /nfs/dbraw/zinc/07/35/49/1159073549.db2.gz NPUDUNUWKUSNQY-GDBMZVCRSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170499 1158943030 /nfs/dbraw/zinc/94/30/30/1158943030.db2.gz CNQMSXWPUCASPN-HZPDHXFCSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001691227663 1158966255 /nfs/dbraw/zinc/96/62/55/1158966255.db2.gz CFPWDVSDIIBVQC-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001691227663 1158966259 /nfs/dbraw/zinc/96/62/59/1158966259.db2.gz CFPWDVSDIIBVQC-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001691227663 1158966262 /nfs/dbraw/zinc/96/62/62/1158966262.db2.gz CFPWDVSDIIBVQC-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001691227663 1158966266 /nfs/dbraw/zinc/96/62/66/1158966266.db2.gz CFPWDVSDIIBVQC-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCCC1 ZINC001732395079 1160569449 /nfs/dbraw/zinc/56/94/49/1160569449.db2.gz WNQHFGGGCXGKBL-OAHLLOKOSA-N 2 1 291.439 1.513 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001644638378 1167332476 /nfs/dbraw/zinc/33/24/76/1167332476.db2.gz PLEVNOHOOFMYTO-HRCADAONSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001644638378 1167332483 /nfs/dbraw/zinc/33/24/83/1167332483.db2.gz PLEVNOHOOFMYTO-HRCADAONSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567128527 1168576622 /nfs/dbraw/zinc/57/66/22/1168576622.db2.gz PCOQNVJORVFWDB-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567412276 1168744256 /nfs/dbraw/zinc/74/42/56/1168744256.db2.gz ZLTSLNWIYXVXHE-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)CCCn1cc[nH+]c1C)C(C)C ZINC001568466485 1169302725 /nfs/dbraw/zinc/30/27/25/1169302725.db2.gz ZWAPSVHEVXMXDA-OAHLLOKOSA-N 2 1 290.411 1.335 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001571180964 1170343633 /nfs/dbraw/zinc/34/36/33/1170343633.db2.gz JYMWDKFTGKOLLX-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]CC(C)(C)CC(=O)OCC ZINC001659900598 1172144575 /nfs/dbraw/zinc/14/45/75/1172144575.db2.gz OJJGBPHBWFSCAB-UHFFFAOYSA-N 2 1 268.401 1.511 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]CC(C)(C)CC(=O)OCC ZINC001659900598 1172144577 /nfs/dbraw/zinc/14/45/77/1172144577.db2.gz OJJGBPHBWFSCAB-UHFFFAOYSA-N 2 1 268.401 1.511 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662686016 1172580441 /nfs/dbraw/zinc/58/04/41/1172580441.db2.gz UWNBAZGSCSNFPA-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690383277 1175457630 /nfs/dbraw/zinc/45/76/30/1175457630.db2.gz LLRWOCDOVLJKCI-HUUCEWRRSA-N 2 1 297.418 1.128 10 30 CDEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001690799884 1175574379 /nfs/dbraw/zinc/57/43/79/1175574379.db2.gz IKDYSTAKBPWTTF-QGZVFWFLSA-N 2 1 299.418 1.020 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001698587029 1175858549 /nfs/dbraw/zinc/85/85/49/1175858549.db2.gz MJMIYTXANGSIQI-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001698587029 1175858553 /nfs/dbraw/zinc/85/85/53/1175858553.db2.gz MJMIYTXANGSIQI-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001698587029 1175858558 /nfs/dbraw/zinc/85/85/58/1175858558.db2.gz MJMIYTXANGSIQI-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001698719101 1175902334 /nfs/dbraw/zinc/90/23/34/1175902334.db2.gz FICHDQPMKCHCOL-MRXNPFEDSA-N 2 1 287.407 1.530 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001698988642 1176019145 /nfs/dbraw/zinc/01/91/45/1176019145.db2.gz JQWNVDOFNGKYRN-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698988642 1176019157 /nfs/dbraw/zinc/01/91/57/1176019157.db2.gz JQWNVDOFNGKYRN-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001698988642 1176019167 /nfs/dbraw/zinc/01/91/67/1176019167.db2.gz JQWNVDOFNGKYRN-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699098445 1176091683 /nfs/dbraw/zinc/09/16/83/1176091683.db2.gz DJBMTUKJSVVOEX-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699387963 1176346571 /nfs/dbraw/zinc/34/65/71/1176346571.db2.gz LNYSQJKEUBQAIW-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699461319 1176424464 /nfs/dbraw/zinc/42/44/64/1176424464.db2.gz RSVLBQSLHIXJTJ-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699461319 1176424469 /nfs/dbraw/zinc/42/44/69/1176424469.db2.gz RSVLBQSLHIXJTJ-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699461319 1176424473 /nfs/dbraw/zinc/42/44/73/1176424473.db2.gz RSVLBQSLHIXJTJ-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001699595372 1176492691 /nfs/dbraw/zinc/49/26/91/1176492691.db2.gz YPBRCVIPNLAQCF-BPUTZDHNSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001699633179 1176529427 /nfs/dbraw/zinc/52/94/27/1176529427.db2.gz ORZUIEIXJHGGMT-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001699633179 1176529436 /nfs/dbraw/zinc/52/94/36/1176529436.db2.gz ORZUIEIXJHGGMT-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001700275165 1176827650 /nfs/dbraw/zinc/82/76/50/1176827650.db2.gz RNVUSPXZUPJHAA-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001700675780 1177069540 /nfs/dbraw/zinc/06/95/40/1177069540.db2.gz OKRFNQOHHAXFHC-CQSZACIVSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001700753434 1177114088 /nfs/dbraw/zinc/11/40/88/1177114088.db2.gz XQRHCOWGOKBTKK-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001707108189 1177952385 /nfs/dbraw/zinc/95/23/85/1177952385.db2.gz RIFQXFJYWKLNOP-XHSDSOJGSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001707417044 1178031839 /nfs/dbraw/zinc/03/18/39/1178031839.db2.gz DGONNJIUTVAZQO-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713900141 1178830384 /nfs/dbraw/zinc/83/03/84/1178830384.db2.gz QOVMNIBWDRLZTC-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713900141 1178830394 /nfs/dbraw/zinc/83/03/94/1178830394.db2.gz QOVMNIBWDRLZTC-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713900141 1178830404 /nfs/dbraw/zinc/83/04/04/1178830404.db2.gz QOVMNIBWDRLZTC-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001714050086 1178945717 /nfs/dbraw/zinc/94/57/17/1178945717.db2.gz MYTYSUAKVUUUFI-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714050086 1178945722 /nfs/dbraw/zinc/94/57/22/1178945722.db2.gz MYTYSUAKVUUUFI-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714050086 1178945724 /nfs/dbraw/zinc/94/57/24/1178945724.db2.gz MYTYSUAKVUUUFI-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714148892 1178990584 /nfs/dbraw/zinc/99/05/84/1178990584.db2.gz BHOQUEQJDKMANS-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714899277 1179443776 /nfs/dbraw/zinc/44/37/76/1179443776.db2.gz NRIORMIUNPQJRB-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001714899277 1179443781 /nfs/dbraw/zinc/44/37/81/1179443781.db2.gz NRIORMIUNPQJRB-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714899277 1179443788 /nfs/dbraw/zinc/44/37/88/1179443788.db2.gz NRIORMIUNPQJRB-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001714912786 1179450140 /nfs/dbraw/zinc/45/01/40/1179450140.db2.gz LAASFGCQZJOESM-GDBMZVCRSA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001714912786 1179450143 /nfs/dbraw/zinc/45/01/43/1179450143.db2.gz LAASFGCQZJOESM-GDBMZVCRSA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001714912786 1179450146 /nfs/dbraw/zinc/45/01/46/1179450146.db2.gz LAASFGCQZJOESM-GDBMZVCRSA-N 2 1 293.455 1.683 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001714919552 1179452870 /nfs/dbraw/zinc/45/28/70/1179452870.db2.gz NSEYMBGYYQYQHK-OWCLPIDISA-N 2 1 293.455 1.470 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001716440581 1180212059 /nfs/dbraw/zinc/21/20/59/1180212059.db2.gz JHDNWHQAYNGAPX-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC=C(C)C ZINC001716440581 1180212063 /nfs/dbraw/zinc/21/20/63/1180212063.db2.gz JHDNWHQAYNGAPX-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001716874273 1180449550 /nfs/dbraw/zinc/44/95/50/1180449550.db2.gz KSLQMEIBVYEQGJ-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001716889078 1180454783 /nfs/dbraw/zinc/45/47/83/1180454783.db2.gz VVDNLGURCSJUMM-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001717153246 1180551701 /nfs/dbraw/zinc/55/17/01/1180551701.db2.gz OGGXTEDMHBKFAM-CABCVRRESA-N 2 1 289.423 1.265 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001717622557 1180760826 /nfs/dbraw/zinc/76/08/26/1180760826.db2.gz IEQZYQJUTGNVJC-ARFHVFGLSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001717804533 1180865747 /nfs/dbraw/zinc/86/57/47/1180865747.db2.gz FXJOHSUTENWIQI-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001723388708 1181545506 /nfs/dbraw/zinc/54/55/06/1181545506.db2.gz GIXMRYVIYVXHMC-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001723939166 1181625117 /nfs/dbraw/zinc/62/51/17/1181625117.db2.gz CMFJPDLIGGSTTJ-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001725004069 1181822627 /nfs/dbraw/zinc/82/26/27/1181822627.db2.gz VFKHPHQHEFGKHV-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001725004069 1181822631 /nfs/dbraw/zinc/82/26/31/1181822631.db2.gz VFKHPHQHEFGKHV-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001725004069 1181822636 /nfs/dbraw/zinc/82/26/36/1181822636.db2.gz VFKHPHQHEFGKHV-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001725148921 1181883432 /nfs/dbraw/zinc/88/34/32/1181883432.db2.gz WUTAUPOKMLJCGI-UHFFFAOYSA-N 2 1 278.400 1.452 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001725230907 1181928249 /nfs/dbraw/zinc/92/82/49/1181928249.db2.gz XXUYRSQQCQJWDM-HNNXBMFYSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001731407034 1182364206 /nfs/dbraw/zinc/36/42/06/1182364206.db2.gz SDWPGHXHTWBYSJ-AWEZNQCLSA-N 2 1 290.411 1.677 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731411753 1182369931 /nfs/dbraw/zinc/36/99/31/1182369931.db2.gz WQSDYYMGFRJFIH-CQSZACIVSA-N 2 1 276.384 1.252 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001731532209 1182437375 /nfs/dbraw/zinc/43/73/75/1182437375.db2.gz VMSZREXEAYXBHR-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001731867066 1182637559 /nfs/dbraw/zinc/63/75/59/1182637559.db2.gz QEJLUJGRCTVVCR-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001731867066 1182637561 /nfs/dbraw/zinc/63/75/61/1182637561.db2.gz QEJLUJGRCTVVCR-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001731867066 1182637565 /nfs/dbraw/zinc/63/75/65/1182637565.db2.gz QEJLUJGRCTVVCR-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732164655 1182825839 /nfs/dbraw/zinc/82/58/39/1182825839.db2.gz GFACBFBJSCMLOX-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001732164655 1182825849 /nfs/dbraw/zinc/82/58/49/1182825849.db2.gz GFACBFBJSCMLOX-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001732164655 1182825859 /nfs/dbraw/zinc/82/58/59/1182825859.db2.gz GFACBFBJSCMLOX-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001732314375 1182903346 /nfs/dbraw/zinc/90/33/46/1182903346.db2.gz DXDVXQSWANORLP-INIZCTEOSA-N 2 1 287.407 1.673 10 30 CDEEMP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001732542394 1183000862 /nfs/dbraw/zinc/00/08/62/1183000862.db2.gz YUWKYVGQKLKEFX-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(=C)C ZINC001732858909 1183161457 /nfs/dbraw/zinc/16/14/57/1183161457.db2.gz GMSSRDLTZHXHPA-KJPDOMRESA-N 2 1 289.423 1.312 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(=C)C ZINC001732858909 1183161459 /nfs/dbraw/zinc/16/14/59/1183161459.db2.gz GMSSRDLTZHXHPA-KJPDOMRESA-N 2 1 289.423 1.312 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001733027341 1183245249 /nfs/dbraw/zinc/24/52/49/1183245249.db2.gz LVEBIZWYZUQTEN-GOEBONIOSA-N 2 1 289.423 1.960 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001733027342 1183245546 /nfs/dbraw/zinc/24/55/46/1183245546.db2.gz LVEBIZWYZUQTEN-HOCLYGCPSA-N 2 1 289.423 1.960 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001733082574 1183280555 /nfs/dbraw/zinc/28/05/55/1183280555.db2.gz FEYFQJJTFJGRRT-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733224827 1183351703 /nfs/dbraw/zinc/35/17/03/1183351703.db2.gz DBOZPTALIQYYFS-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001733452071 1183436422 /nfs/dbraw/zinc/43/64/22/1183436422.db2.gz MKKSJOCZULFQJZ-OAHLLOKOSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733937143 1183574806 /nfs/dbraw/zinc/57/48/06/1183574806.db2.gz GZFTWNSWDVUITN-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001733937818 1183575676 /nfs/dbraw/zinc/57/56/76/1183575676.db2.gz LWHVIVMIEAPEFK-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001733937818 1183575680 /nfs/dbraw/zinc/57/56/80/1183575680.db2.gz LWHVIVMIEAPEFK-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001733937818 1183575683 /nfs/dbraw/zinc/57/56/83/1183575683.db2.gz LWHVIVMIEAPEFK-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[NH+]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001734147149 1183675835 /nfs/dbraw/zinc/67/58/35/1183675835.db2.gz ZOLSOTHAKXGDCI-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001734147149 1183675837 /nfs/dbraw/zinc/67/58/37/1183675837.db2.gz ZOLSOTHAKXGDCI-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001734147149 1183675838 /nfs/dbraw/zinc/67/58/38/1183675838.db2.gz ZOLSOTHAKXGDCI-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979557 834159260 /nfs/dbraw/zinc/15/92/60/834159260.db2.gz JYDZVTFDEZHTSR-ZIAGYGMSSA-N 2 1 299.846 1.695 10 30 CDEEMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000303991521 828987398 /nfs/dbraw/zinc/98/73/98/828987398.db2.gz ZOOZLKYESNXLFW-CQSZACIVSA-N 2 1 282.432 1.334 10 30 CDEEMP Cn1c[nH+]cc1CCC[N@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000847008502 833364153 /nfs/dbraw/zinc/36/41/53/833364153.db2.gz KRMKKXSWMCRODP-QGZVFWFLSA-N 2 1 298.390 1.890 10 30 CDEEMP Cn1c[nH+]cc1CCC[N@@H+](C)C[C@@H](O)c1cccc(C#N)c1 ZINC000847008502 833364157 /nfs/dbraw/zinc/36/41/57/833364157.db2.gz KRMKKXSWMCRODP-QGZVFWFLSA-N 2 1 298.390 1.890 10 30 CDEEMP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C#N ZINC000703613700 829818298 /nfs/dbraw/zinc/81/82/98/829818298.db2.gz INHQCRGNADAFNC-JKSUJKDBSA-N 2 1 255.365 1.908 10 30 CDEEMP Cc1ccc(C[N@H+]2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1C#N ZINC000703613700 829818302 /nfs/dbraw/zinc/81/83/02/829818302.db2.gz INHQCRGNADAFNC-JKSUJKDBSA-N 2 1 255.365 1.908 10 30 CDEEMP C#C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000827566241 830003767 /nfs/dbraw/zinc/00/37/67/830003767.db2.gz UGRPNLHHSLQQCR-PMPSAXMXSA-N 2 1 262.397 1.631 10 30 CDEEMP C(C[NH+]1CCCCC1)NN=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872344279 830743176 /nfs/dbraw/zinc/74/31/76/830743176.db2.gz RGDBXOBWVHTQNR-OAHLLOKOSA-N 2 1 296.484 1.629 10 30 CDEEMP C(C[NH+]1CCCCC1)NN=C1CCC[N@H+]2CCSC[C@H]12 ZINC000872344279 830743190 /nfs/dbraw/zinc/74/31/90/830743190.db2.gz RGDBXOBWVHTQNR-OAHLLOKOSA-N 2 1 296.484 1.629 10 30 CDEEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852869768 832523440 /nfs/dbraw/zinc/52/34/40/832523440.db2.gz LHVMUPBSOOLVRF-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000796946016 833884273 /nfs/dbraw/zinc/88/42/73/833884273.db2.gz DHNOZLTWZRDWHV-HRCADAONSA-N 2 1 270.380 1.916 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]2CCC[C@H]21 ZINC000796946016 833884274 /nfs/dbraw/zinc/88/42/74/833884274.db2.gz DHNOZLTWZRDWHV-HRCADAONSA-N 2 1 270.380 1.916 10 30 CDEEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000708855981 832873027 /nfs/dbraw/zinc/87/30/27/832873027.db2.gz WQMUBSCEMZBVSP-KCPJHIHWSA-N 2 1 259.353 1.118 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303975544 832955943 /nfs/dbraw/zinc/95/59/43/832955943.db2.gz JEOZPLBHXDUIJP-KGLIPLIRSA-N 2 1 282.432 1.144 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261948026 833833966 /nfs/dbraw/zinc/83/39/66/833833966.db2.gz GLAWJWRMIZWSHW-HZSPNIEDSA-N 2 1 280.460 1.926 10 30 CDEEMP [NH2+]=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000195165117 834413203 /nfs/dbraw/zinc/41/32/03/834413203.db2.gz QKPBXUKEVQZYAB-CQSZACIVSA-N 2 1 272.396 1.575 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928079495 835285095 /nfs/dbraw/zinc/28/50/95/835285095.db2.gz ZCHACCSENWMPBL-UONOGXRCSA-N 2 1 297.468 1.190 10 30 CDEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478659 835342786 /nfs/dbraw/zinc/34/27/86/835342786.db2.gz FQEKOBSLSGZMQP-ZFWWWQNUSA-N 2 1 287.363 1.443 10 30 CDEEMP COC(=O)[C@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478659 835342794 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C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001332199148 945909883 /nfs/dbraw/zinc/90/98/83/945909883.db2.gz NLHXUHBPTXVETK-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001479258794 971277391 /nfs/dbraw/zinc/27/73/91/971277391.db2.gz XXKIITWELREWSL-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001479258794 971277395 /nfs/dbraw/zinc/27/73/95/971277395.db2.gz XXKIITWELREWSL-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001479258794 971277400 /nfs/dbraw/zinc/27/74/00/971277400.db2.gz XXKIITWELREWSL-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001479579195 971343371 /nfs/dbraw/zinc/34/33/71/971343371.db2.gz VLXCIIFIMPMBNB-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001279039697 948633495 /nfs/dbraw/zinc/63/34/95/948633495.db2.gz 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ZINC001278653760 951164789 /nfs/dbraw/zinc/16/47/89/951164789.db2.gz OKYWBJQLGSTNKP-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001278653760 951164794 /nfs/dbraw/zinc/16/47/94/951164794.db2.gz OKYWBJQLGSTNKP-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001480742934 971856975 /nfs/dbraw/zinc/85/69/75/971856975.db2.gz SMPLGVDCSRMNES-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001480742934 971856981 /nfs/dbraw/zinc/85/69/81/971856981.db2.gz SMPLGVDCSRMNES-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001324661161 953501806 /nfs/dbraw/zinc/50/18/06/953501806.db2.gz LXZVOMIHRNVLLC-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001324661161 953501816 /nfs/dbraw/zinc/50/18/16/953501816.db2.gz LXZVOMIHRNVLLC-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001324661161 953501828 /nfs/dbraw/zinc/50/18/28/953501828.db2.gz LXZVOMIHRNVLLC-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001493290232 972009551 /nfs/dbraw/zinc/00/95/51/972009551.db2.gz FAJOUMVODAEGIC-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001493290232 972009558 /nfs/dbraw/zinc/00/95/58/972009558.db2.gz FAJOUMVODAEGIC-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001493290232 972009562 /nfs/dbraw/zinc/00/95/62/972009562.db2.gz FAJOUMVODAEGIC-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001491772716 955414840 /nfs/dbraw/zinc/41/48/40/955414840.db2.gz YUYWPMZZPMCOMU-DLBZAZTESA-N 2 1 299.418 1.503 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001491894200 955495992 /nfs/dbraw/zinc/49/59/92/955495992.db2.gz NAFAMSCZQRAVLA-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001480651721 955888922 /nfs/dbraw/zinc/88/89/22/955888922.db2.gz METXIEAYPVPOTH-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329876175 956155108 /nfs/dbraw/zinc/15/51/08/956155108.db2.gz PCTFPNOVBUFCEX-OWCLPIDISA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001494394665 972225148 /nfs/dbraw/zinc/22/51/48/972225148.db2.gz QTPYUSMPYUQBOY-CQSZACIVSA-N 2 1 285.407 1.433 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317014068 957201512 /nfs/dbraw/zinc/20/15/12/957201512.db2.gz AGJCMBVMVSETRI-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001317491626 957508909 /nfs/dbraw/zinc/50/89/09/957508909.db2.gz DHIHJNBWUIAOHV-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317491626 957508913 /nfs/dbraw/zinc/50/89/13/957508913.db2.gz DHIHJNBWUIAOHV-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001317491626 957508918 /nfs/dbraw/zinc/50/89/18/957508918.db2.gz DHIHJNBWUIAOHV-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317532537 957533460 /nfs/dbraw/zinc/53/34/60/957533460.db2.gz LOFQPFJIZNGQFP-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494901646 972333268 /nfs/dbraw/zinc/33/32/68/972333268.db2.gz POWMIXXEUJNLIB-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001494901646 972333269 /nfs/dbraw/zinc/33/32/69/972333269.db2.gz POWMIXXEUJNLIB-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001569302736 1169754671 /nfs/dbraw/zinc/75/46/71/1169754671.db2.gz BBLIXBBYPGZIRO-HOTGVXAUSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC)CC(C)C ZINC001319618144 958656234 /nfs/dbraw/zinc/65/62/34/958656234.db2.gz FMMHPHKQHWKHSM-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC)CC(C)C ZINC001319618144 958656244 /nfs/dbraw/zinc/65/62/44/958656244.db2.gz FMMHPHKQHWKHSM-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001319916977 958786451 /nfs/dbraw/zinc/78/64/51/958786451.db2.gz IXHYUYBXALRVEH-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001320058255 958910196 /nfs/dbraw/zinc/91/01/96/958910196.db2.gz JZMILBOQJLXSNV-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001320058255 958910207 /nfs/dbraw/zinc/91/02/07/958910207.db2.gz JZMILBOQJLXSNV-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001320058255 958910219 /nfs/dbraw/zinc/91/02/19/958910219.db2.gz JZMILBOQJLXSNV-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001322305586 960177594 /nfs/dbraw/zinc/17/75/94/960177594.db2.gz FMURRUDFDUCBFW-ZBFHGGJFSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001322305586 960177608 /nfs/dbraw/zinc/17/76/08/960177608.db2.gz FMURRUDFDUCBFW-ZBFHGGJFSA-N 2 1 287.407 1.359 10 30 CDEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)CCc1cnc[nH]1 ZINC001322541008 960252494 /nfs/dbraw/zinc/25/24/94/960252494.db2.gz WFVFDYMVBFMPHF-UHFFFAOYSA-N 2 1 284.791 1.533 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001322657802 960289961 /nfs/dbraw/zinc/28/99/61/960289961.db2.gz OVNGFXMGJYYYHX-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001323566918 960824742 /nfs/dbraw/zinc/82/47/42/960824742.db2.gz LRTFXCXZSWTKCI-LSDHHAIUSA-N 2 1 291.439 1.818 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001324099008 961163040 /nfs/dbraw/zinc/16/30/40/961163040.db2.gz UUPSADUWNCOZAN-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001324261238 961271878 /nfs/dbraw/zinc/27/18/78/961271878.db2.gz NZEMVVWCMAIUQD-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)CN1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001420568670 963070758 /nfs/dbraw/zinc/07/07/58/963070758.db2.gz WEUYKCNWHUPDMG-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001420568670 963070769 /nfs/dbraw/zinc/07/07/69/963070769.db2.gz WEUYKCNWHUPDMG-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001420568670 963070782 /nfs/dbraw/zinc/07/07/82/963070782.db2.gz WEUYKCNWHUPDMG-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001420568670 963070792 /nfs/dbraw/zinc/07/07/92/963070792.db2.gz WEUYKCNWHUPDMG-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001420568670 963070805 /nfs/dbraw/zinc/07/08/05/963070805.db2.gz WEUYKCNWHUPDMG-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC001444982904 966038851 /nfs/dbraw/zinc/03/88/51/966038851.db2.gz GDMBRSSHWSBLGX-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001445651940 966267832 /nfs/dbraw/zinc/26/78/32/966267832.db2.gz ARLDCFPCFXNSDF-QWHCGFSZSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569542224 1169916579 /nfs/dbraw/zinc/91/65/79/1169916579.db2.gz UBPJWDPSWVUBGF-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001495662331 972584957 /nfs/dbraw/zinc/58/49/57/972584957.db2.gz QULSCSLUXHSGQH-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495731428 972611570 /nfs/dbraw/zinc/61/15/70/972611570.db2.gz PPIYMROHOLQHFQ-RDBSUJKOSA-N 2 1 267.417 1.245 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001371832329 972652570 /nfs/dbraw/zinc/65/25/70/972652570.db2.gz KCOOECRCBBAIHQ-AAEUAGOBSA-N 2 1 287.835 1.565 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCCC1 ZINC001495924137 972704211 /nfs/dbraw/zinc/70/42/11/972704211.db2.gz PXSMCGITAJWPRR-OAHLLOKOSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001497207924 973244305 /nfs/dbraw/zinc/24/43/05/973244305.db2.gz MNNISDCAYFKTJI-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497207926 973246110 /nfs/dbraw/zinc/24/61/10/973246110.db2.gz MNNISDCAYFKTJI-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001374206272 973834183 /nfs/dbraw/zinc/83/41/83/973834183.db2.gz NIMXGFSDGJZRQA-NEPJUHHUSA-N 2 1 273.808 1.270 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001498414511 973898343 /nfs/dbraw/zinc/89/83/43/973898343.db2.gz HLRUDYAVJSUHBU-ZDUSSCGKSA-N 2 1 299.378 1.503 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001498414511 973898348 /nfs/dbraw/zinc/89/83/48/973898348.db2.gz HLRUDYAVJSUHBU-ZDUSSCGKSA-N 2 1 299.378 1.503 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001498467073 973934243 /nfs/dbraw/zinc/93/42/43/973934243.db2.gz YAHZAXYODBPNEW-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001498467073 973934253 /nfs/dbraw/zinc/93/42/53/973934253.db2.gz YAHZAXYODBPNEW-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001498467073 973934262 /nfs/dbraw/zinc/93/42/62/973934262.db2.gz YAHZAXYODBPNEW-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001498467073 973934270 /nfs/dbraw/zinc/93/42/70/973934270.db2.gz YAHZAXYODBPNEW-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001498567754 973985030 /nfs/dbraw/zinc/98/50/30/973985030.db2.gz DOPWFYXISWBAMO-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001499615503 974274463 /nfs/dbraw/zinc/27/44/63/974274463.db2.gz DSJAHIMZUYMVBK-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001499615503 974274469 /nfs/dbraw/zinc/27/44/69/974274469.db2.gz DSJAHIMZUYMVBK-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001499615503 974274474 /nfs/dbraw/zinc/27/44/74/974274474.db2.gz DSJAHIMZUYMVBK-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001499927200 974337758 /nfs/dbraw/zinc/33/77/58/974337758.db2.gz ZPONZGRIMHIACQ-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500354115 974426269 /nfs/dbraw/zinc/42/62/69/974426269.db2.gz LAINYWBZQIVPIH-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001505518625 974898867 /nfs/dbraw/zinc/89/88/67/974898867.db2.gz QBASVLMFVWVHIT-UHFFFAOYSA-N 2 1 281.444 1.635 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001506014906 975086208 /nfs/dbraw/zinc/08/62/08/975086208.db2.gz KUYGFYVZLDHYEJ-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001506014906 975086212 /nfs/dbraw/zinc/08/62/12/975086212.db2.gz KUYGFYVZLDHYEJ-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001506014906 975086225 /nfs/dbraw/zinc/08/62/25/975086225.db2.gz KUYGFYVZLDHYEJ-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377766462 975132658 /nfs/dbraw/zinc/13/26/58/975132658.db2.gz NMRULVVPRTXSDC-KGLIPLIRSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001377766462 975132661 /nfs/dbraw/zinc/13/26/61/975132661.db2.gz NMRULVVPRTXSDC-KGLIPLIRSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001377766462 975132662 /nfs/dbraw/zinc/13/26/62/975132662.db2.gz NMRULVVPRTXSDC-KGLIPLIRSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001401704648 975816746 /nfs/dbraw/zinc/81/67/46/975816746.db2.gz AHRQMVYIHDYPQH-JQWIXIFHSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001398581189 976056905 /nfs/dbraw/zinc/05/69/05/976056905.db2.gz RXPIYENGPMSOBW-HAQNSBGRSA-N 2 1 273.808 1.316 10 30 CDEEMP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001675317469 1174101597 /nfs/dbraw/zinc/10/15/97/1174101597.db2.gz HEGZOAJJYCOFLI-GFCCVEGCSA-N 2 1 265.401 1.093 10 30 CDEEMP C#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001675473601 1174117388 /nfs/dbraw/zinc/11/73/88/1174117388.db2.gz OEYOEBKLDCOSHI-CQSZACIVSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001676886393 1174285903 /nfs/dbraw/zinc/28/59/03/1174285903.db2.gz JDXRWKFIHXJWBZ-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001570440135 1170159294 /nfs/dbraw/zinc/15/92/94/1170159294.db2.gz IOOABDXSMQDXIZ-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001570666098 1170226291 /nfs/dbraw/zinc/22/62/91/1170226291.db2.gz OFRFFUKXRFRKSM-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570815676 1170286265 /nfs/dbraw/zinc/28/62/65/1170286265.db2.gz IBHFUDVEKXLUEE-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437185 342905568 /nfs/dbraw/zinc/90/55/68/342905568.db2.gz IZOMTOICZFVRQH-LSDHHAIUSA-N 2 1 294.443 1.634 10 30 CDEEMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594438585 342906219 /nfs/dbraw/zinc/90/62/19/342906219.db2.gz OMXZJTOAPNOELL-UONOGXRCSA-N 2 1 280.416 1.388 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600719850 342244608 /nfs/dbraw/zinc/24/46/08/342244608.db2.gz KXNUBEIHLWUXTR-OCCSQVGLSA-N 2 1 263.385 1.115 10 30 CDEEMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600735566 342246218 /nfs/dbraw/zinc/24/62/18/342246218.db2.gz LFUMJKIUKJFLDM-UONOGXRCSA-N 2 1 265.401 1.363 10 30 CDEEMP N#Cc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000334443551 357579791 /nfs/dbraw/zinc/57/97/91/357579791.db2.gz FBKNAXMXNPKCCV-ZDUSSCGKSA-N 2 1 252.321 1.928 10 30 CDEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639764785 364921892 /nfs/dbraw/zinc/92/18/92/364921892.db2.gz XHQBWDUHCHWPQY-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001661270502 1172361138 /nfs/dbraw/zinc/36/11/38/1172361138.db2.gz AQJRIADOXISLIW-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001661270502 1172361146 /nfs/dbraw/zinc/36/11/46/1172361146.db2.gz AQJRIADOXISLIW-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001661270502 1172361150 /nfs/dbraw/zinc/36/11/50/1172361150.db2.gz AQJRIADOXISLIW-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001661270502 1172361151 /nfs/dbraw/zinc/36/11/51/1172361151.db2.gz AQJRIADOXISLIW-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661738571 1172437219 /nfs/dbraw/zinc/43/72/19/1172437219.db2.gz ILFAJBTUEYLHLR-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661751979 1172440549 /nfs/dbraw/zinc/44/05/49/1172440549.db2.gz BUWRAACJSUVZBR-MRXNPFEDSA-N 2 1 291.439 1.324 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2c1 ZINC000369479856 374354865 /nfs/dbraw/zinc/35/48/65/374354865.db2.gz GAIKVQOHDYMWIO-LSDHHAIUSA-N 2 1 295.390 1.922 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000369479856 374354870 /nfs/dbraw/zinc/35/48/70/374354870.db2.gz GAIKVQOHDYMWIO-LSDHHAIUSA-N 2 1 295.390 1.922 10 30 CDEEMP C=CCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000133007302 375661388 /nfs/dbraw/zinc/66/13/88/375661388.db2.gz ZSFZXLAGKIMZCJ-HNNXBMFYSA-N 2 1 251.418 1.664 10 30 CDEEMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516115 376002870 /nfs/dbraw/zinc/00/28/70/376002870.db2.gz DPHPDNCTERRXAA-AWEZNQCLSA-N 2 1 288.395 1.426 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000247556240 377151206 /nfs/dbraw/zinc/15/12/06/377151206.db2.gz ZQUWUDVFMVALHV-ZBFHGGJFSA-N 2 1 289.423 1.027 10 30 CDEEMP CCC#C[C@@H](C)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325641 412896181 /nfs/dbraw/zinc/89/61/81/412896181.db2.gz OPTVAXAVQCFQFM-HUUCEWRRSA-N 2 1 252.402 1.831 10 30 CDEEMP CCC#C[C@@H](C)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325641 412896185 /nfs/dbraw/zinc/89/61/85/412896185.db2.gz OPTVAXAVQCFQFM-HUUCEWRRSA-N 2 1 252.402 1.831 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662856467 1172605598 /nfs/dbraw/zinc/60/55/98/1172605598.db2.gz ONWGHTRSKLKHTJ-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001664854508 1172919805 /nfs/dbraw/zinc/91/98/05/1172919805.db2.gz PYHJZBAUCFCNQK-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000662721302 413383132 /nfs/dbraw/zinc/38/31/32/413383132.db2.gz TXRKRIMBXOWBSC-INIZCTEOSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001665687212 1173039755 /nfs/dbraw/zinc/03/97/55/1173039755.db2.gz YXBSNSPCWUIAKC-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665687212 1173039761 /nfs/dbraw/zinc/03/97/61/1173039761.db2.gz YXBSNSPCWUIAKC-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665687212 1173039765 /nfs/dbraw/zinc/03/97/65/1173039765.db2.gz YXBSNSPCWUIAKC-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP CC(=O)N1CCC[N@@H+](Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689120 175096222 /nfs/dbraw/zinc/09/62/22/175096222.db2.gz NADIYVDLLKMRRP-UHFFFAOYSA-N 2 1 291.420 1.113 10 30 CDEEMP C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000044566217 175208016 /nfs/dbraw/zinc/20/80/16/175208016.db2.gz YLGHUBHZMDRGMD-INIZCTEOSA-N 2 1 285.391 1.211 10 30 CDEEMP C[N@H+](CCCC[C@](C)([NH3+])C#N)C[C@@H]1CCCCO1 ZINC000045314373 175357283 /nfs/dbraw/zinc/35/72/83/175357283.db2.gz FWVFCKAWTMYBPK-KBPBESRZSA-N 2 1 253.390 1.899 10 30 CDEEMP C[N@@H+](CCCC[C@](C)([NH3+])C#N)C[C@@H]1CCCCO1 ZINC000045314373 175357284 /nfs/dbraw/zinc/35/72/84/175357284.db2.gz FWVFCKAWTMYBPK-KBPBESRZSA-N 2 1 253.390 1.899 10 30 CDEEMP CC(C)N[C@@](C)(C#N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190752 176068506 /nfs/dbraw/zinc/06/85/06/176068506.db2.gz BNHPPWMYZJGPNR-HUUCEWRRSA-N 2 1 266.433 1.540 10 30 CDEEMP CC(C)N[C@@](C)(C#N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190752 176068507 /nfs/dbraw/zinc/06/85/07/176068507.db2.gz BNHPPWMYZJGPNR-HUUCEWRRSA-N 2 1 266.433 1.540 10 30 CDEEMP CC(C)N[C@@](C)(C#N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190752 176068509 /nfs/dbraw/zinc/06/85/09/176068509.db2.gz BNHPPWMYZJGPNR-HUUCEWRRSA-N 2 1 266.433 1.540 10 30 CDEEMP CC(C)N[C@@](C)(C#N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190752 176068510 /nfs/dbraw/zinc/06/85/10/176068510.db2.gz BNHPPWMYZJGPNR-HUUCEWRRSA-N 2 1 266.433 1.540 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001667545951 1173286415 /nfs/dbraw/zinc/28/64/15/1173286415.db2.gz PGFBWMXQBMQKHD-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001667545951 1173286419 /nfs/dbraw/zinc/28/64/19/1173286419.db2.gz PGFBWMXQBMQKHD-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001667545951 1173286423 /nfs/dbraw/zinc/28/64/23/1173286423.db2.gz PGFBWMXQBMQKHD-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP CC1(C)CCC[N@@H+](CCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000262948376 330037569 /nfs/dbraw/zinc/03/75/69/330037569.db2.gz OIVCSVDIXWEYQS-ZDUSSCGKSA-N 2 1 282.432 1.192 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000424174305 330314293 /nfs/dbraw/zinc/31/42/93/330314293.db2.gz OCANDQBQSRAGSV-AAEUAGOBSA-N 2 1 281.425 1.885 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001700890819 1160072257 /nfs/dbraw/zinc/07/22/57/1160072257.db2.gz XAVQXSXZHZEPJV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001700890819 1160072264 /nfs/dbraw/zinc/07/22/64/1160072264.db2.gz XAVQXSXZHZEPJV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001700890819 1160072272 /nfs/dbraw/zinc/07/22/72/1160072272.db2.gz XAVQXSXZHZEPJV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001700698355 1177079457 /nfs/dbraw/zinc/07/94/57/1177079457.db2.gz WCHHVIYWCAFQLT-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001700698355 1177079463 /nfs/dbraw/zinc/07/94/63/1177079463.db2.gz WCHHVIYWCAFQLT-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661663 1161441968 /nfs/dbraw/zinc/44/19/68/1161441968.db2.gz WNAANUPJCQOMLQ-CABCVRRESA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661663 1161441969 /nfs/dbraw/zinc/44/19/69/1161441969.db2.gz WNAANUPJCQOMLQ-CABCVRRESA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725189336 1181916192 /nfs/dbraw/zinc/91/61/92/1181916192.db2.gz JKDKLUHSOUVLPT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001732582511 1183026024 /nfs/dbraw/zinc/02/60/24/1183026024.db2.gz PLCMHGOPRZRXIO-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001732582511 1183026030 /nfs/dbraw/zinc/02/60/30/1183026030.db2.gz PLCMHGOPRZRXIO-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609779 527148134 /nfs/dbraw/zinc/14/81/34/527148134.db2.gz VQBQOFUZFHFQII-MRXNPFEDSA-N 2 1 258.365 1.344 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000750007063 576972097 /nfs/dbraw/zinc/97/20/97/576972097.db2.gz WJJCHCPLGUFTKA-GPANFISMSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000750007063 576972098 /nfs/dbraw/zinc/97/20/98/576972098.db2.gz WJJCHCPLGUFTKA-GPANFISMSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[C@H]1CC[NH+]1CC(O)C[N@@H+]1CC[C@@H]1CC=C ZINC000934460290 617595696 /nfs/dbraw/zinc/59/56/96/617595696.db2.gz KYQUQHFANJVUDP-KBPBESRZSA-N 2 1 250.386 1.648 10 30 CDEEMP C=CC[C@H]1CC[NH+]1CC(O)C[N@H+]1CC[C@@H]1CC=C ZINC000934460290 617595700 /nfs/dbraw/zinc/59/57/00/617595700.db2.gz KYQUQHFANJVUDP-KBPBESRZSA-N 2 1 250.386 1.648 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690198004 1175401246 /nfs/dbraw/zinc/40/12/46/1175401246.db2.gz ZIUWAXOUFVLDGV-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001690198004 1175401253 /nfs/dbraw/zinc/40/12/53/1175401253.db2.gz ZIUWAXOUFVLDGV-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001690198004 1175401264 /nfs/dbraw/zinc/40/12/64/1175401264.db2.gz ZIUWAXOUFVLDGV-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000900823403 623529062 /nfs/dbraw/zinc/52/90/62/623529062.db2.gz VAHQLROUDNVROH-UONOGXRCSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000911864697 629576235 /nfs/dbraw/zinc/57/62/35/629576235.db2.gz NMGZFPLHJPKURQ-UHFFFAOYSA-N 2 1 269.433 1.588 10 30 CDEEMP C#CC[N@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001691162541 1158939540 /nfs/dbraw/zinc/93/95/40/1158939540.db2.gz BXKXBLJWLDFMDV-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001691162541 1158939542 /nfs/dbraw/zinc/93/95/42/1158939542.db2.gz BXKXBLJWLDFMDV-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001266896987 1158967888 /nfs/dbraw/zinc/96/78/88/1158967888.db2.gz APRURMYQUKLFCR-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C=CC[N@@H+](C)CCN(CC)C(=O)Cn1c[nH+]cc1C ZINC001618813615 1165645095 /nfs/dbraw/zinc/64/50/95/1165645095.db2.gz JTSKPCRGQRIPCC-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)Cn1c[nH+]cc1C ZINC001618813615 1165645098 /nfs/dbraw/zinc/64/50/98/1165645098.db2.gz JTSKPCRGQRIPCC-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+]2CC)CC1 ZINC001565627328 1168160462 /nfs/dbraw/zinc/16/04/62/1168160462.db2.gz IQBMECPMFMIBRZ-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2CC)CC1 ZINC001565627328 1168160465 /nfs/dbraw/zinc/16/04/65/1168160465.db2.gz IQBMECPMFMIBRZ-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001567137020 1168592191 /nfs/dbraw/zinc/59/21/91/1168592191.db2.gz GFRNFNPDKJXPRT-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=C)C ZINC001568177086 1169163231 /nfs/dbraw/zinc/16/32/31/1169163231.db2.gz NHLFMBIYTRJNRC-GJZGRUSLSA-N 2 1 277.412 1.002 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=C)C ZINC001568177086 1169163232 /nfs/dbraw/zinc/16/32/32/1169163232.db2.gz NHLFMBIYTRJNRC-GJZGRUSLSA-N 2 1 277.412 1.002 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC(=C)C ZINC001568748883 1169461022 /nfs/dbraw/zinc/46/10/22/1169461022.db2.gz OAXORJZAJXJNDW-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001569246807 1169734878 /nfs/dbraw/zinc/73/48/78/1169734878.db2.gz QDXBWHHPLBEEHB-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001569380191 1169830620 /nfs/dbraw/zinc/83/06/20/1169830620.db2.gz PSNODRAEULBAQI-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001569380191 1169830628 /nfs/dbraw/zinc/83/06/28/1169830628.db2.gz PSNODRAEULBAQI-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001569380191 1169830636 /nfs/dbraw/zinc/83/06/36/1169830636.db2.gz PSNODRAEULBAQI-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001570090314 1170075934 /nfs/dbraw/zinc/07/59/34/1170075934.db2.gz WDYSPHQKGRGJSL-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001570359704 1170142338 /nfs/dbraw/zinc/14/23/38/1170142338.db2.gz ZVMIIOMOBQLUFN-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570543543 1170185300 /nfs/dbraw/zinc/18/53/00/1170185300.db2.gz JNUTWYNUVLKOTO-HNNXBMFYSA-N 2 1 289.423 1.028 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001570636762 1170219260 /nfs/dbraw/zinc/21/92/60/1170219260.db2.gz NCSXNAZGOPSOIO-CHWSQXEVSA-N 2 1 278.400 1.675 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001570639389 1170219936 /nfs/dbraw/zinc/21/99/36/1170219936.db2.gz MYDRSMRYYABFLG-OLZOCXBDSA-N 2 1 276.384 1.088 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001571392046 1170408180 /nfs/dbraw/zinc/40/81/80/1170408180.db2.gz ODURDPSCTBYOKI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001668088831 1173368251 /nfs/dbraw/zinc/36/82/51/1173368251.db2.gz ZZNYQXQDICDVII-GDBMZVCRSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690955220 1175625269 /nfs/dbraw/zinc/62/52/69/1175625269.db2.gz NUUFWTKUYMLUBA-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690955220 1175625273 /nfs/dbraw/zinc/62/52/73/1175625273.db2.gz NUUFWTKUYMLUBA-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001690955220 1175625277 /nfs/dbraw/zinc/62/52/77/1175625277.db2.gz NUUFWTKUYMLUBA-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cc1cnc[nH]1)c1ccccc1 ZINC001691796733 1175628695 /nfs/dbraw/zinc/62/86/95/1175628695.db2.gz NABVHYLUJNMMES-INIZCTEOSA-N 2 1 298.390 1.975 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001692376887 1175756616 /nfs/dbraw/zinc/75/66/16/1175756616.db2.gz TWDPEFQROZSMCJ-VGWMRTNUSA-N 2 1 293.455 1.966 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001698767370 1175924929 /nfs/dbraw/zinc/92/49/29/1175924929.db2.gz UNDZRJBFHLOEBZ-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001698841930 1175959156 /nfs/dbraw/zinc/95/91/56/1175959156.db2.gz XJYGMPROJKYROE-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001698970610 1176001416 /nfs/dbraw/zinc/00/14/16/1176001416.db2.gz AUSRHSYNJGSRDH-GJZGRUSLSA-N 2 1 279.428 1.082 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001048 1176031478 /nfs/dbraw/zinc/03/14/78/1176031478.db2.gz LFPMXLXGFIMJEE-JKSUJKDBSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001699018560 1176045129 /nfs/dbraw/zinc/04/51/29/1176045129.db2.gz KLBPKADUXULZKX-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699181428 1176130528 /nfs/dbraw/zinc/13/05/28/1176130528.db2.gz NNAAAJZNSPAUQB-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001699426899 1176389490 /nfs/dbraw/zinc/38/94/90/1176389490.db2.gz FGNXNSYTEDDTCW-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001699794279 1176624397 /nfs/dbraw/zinc/62/43/97/1176624397.db2.gz ZSLRZHKAPDHNEM-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001700130289 1176762092 /nfs/dbraw/zinc/76/20/92/1176762092.db2.gz FMMRURSJBGRPFF-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(C)C)C1 ZINC001700375204 1176881635 /nfs/dbraw/zinc/88/16/35/1176881635.db2.gz RTFTUADVLIELFA-GPANFISMSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(C)C)C1 ZINC001700375204 1176881636 /nfs/dbraw/zinc/88/16/36/1176881636.db2.gz RTFTUADVLIELFA-GPANFISMSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001700631044 1177044519 /nfs/dbraw/zinc/04/45/19/1177044519.db2.gz BYMJATWPRBFNJP-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[NH+](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001700698355 1177079453 /nfs/dbraw/zinc/07/94/53/1177079453.db2.gz WCHHVIYWCAFQLT-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001707387708 1178009638 /nfs/dbraw/zinc/00/96/38/1178009638.db2.gz PAMQCONIXJODBD-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001707387708 1178009647 /nfs/dbraw/zinc/00/96/47/1178009647.db2.gz PAMQCONIXJODBD-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001707387708 1178009655 /nfs/dbraw/zinc/00/96/55/1178009655.db2.gz PAMQCONIXJODBD-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2CC2)CC1 ZINC001707420655 1178034258 /nfs/dbraw/zinc/03/42/58/1178034258.db2.gz AKXPVPFFPMBWTI-UHFFFAOYSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001707442190 1178045307 /nfs/dbraw/zinc/04/53/07/1178045307.db2.gz YECRJFJGSDGPAA-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713411295 1178545988 /nfs/dbraw/zinc/54/59/88/1178545988.db2.gz ATFDVXKDUVRQQD-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713472580 1178588644 /nfs/dbraw/zinc/58/86/44/1178588644.db2.gz CNJJROXGTBDTEE-UHFFFAOYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001714043000 1178944293 /nfs/dbraw/zinc/94/42/93/1178944293.db2.gz KWTVFHCVNNKNFB-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714043000 1178944294 /nfs/dbraw/zinc/94/42/94/1178944294.db2.gz KWTVFHCVNNKNFB-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714043000 1178944297 /nfs/dbraw/zinc/94/42/97/1178944297.db2.gz KWTVFHCVNNKNFB-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@H]1C ZINC001714189013 1179008443 /nfs/dbraw/zinc/00/84/43/1179008443.db2.gz ZOXOYMXMLZNHDT-NVXWUHKLSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001714800822 1179403986 /nfs/dbraw/zinc/40/39/86/1179403986.db2.gz KULHUMLZTPKJOA-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001714800822 1179403988 /nfs/dbraw/zinc/40/39/88/1179403988.db2.gz KULHUMLZTPKJOA-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001715065147 1179537254 /nfs/dbraw/zinc/53/72/54/1179537254.db2.gz KTKOBVBQVQRPOF-NSHDSACASA-N 2 1 280.372 1.020 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001715729516 1179781944 /nfs/dbraw/zinc/78/19/44/1179781944.db2.gz MTLSBZZPYJWNOQ-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001717370079 1180633865 /nfs/dbraw/zinc/63/38/65/1180633865.db2.gz RYAMYOKQMOQJPE-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001717370079 1180633873 /nfs/dbraw/zinc/63/38/73/1180633873.db2.gz RYAMYOKQMOQJPE-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001717370079 1180633877 /nfs/dbraw/zinc/63/38/77/1180633877.db2.gz RYAMYOKQMOQJPE-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001717450078 1180676849 /nfs/dbraw/zinc/67/68/49/1180676849.db2.gz ZMYBINLXRPQTGC-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717585358 1180750408 /nfs/dbraw/zinc/75/04/08/1180750408.db2.gz PLYWBRBIEHOIJS-AWEZNQCLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001717800967 1180861717 /nfs/dbraw/zinc/86/17/17/1180861717.db2.gz DGVAFQDDLYZOOE-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001722917218 1181494482 /nfs/dbraw/zinc/49/44/82/1181494482.db2.gz RJUCGWGEWJKMBV-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723907070 1181622611 /nfs/dbraw/zinc/62/26/11/1181622611.db2.gz ZJHBMCITGUQYOY-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001724628249 1181707939 /nfs/dbraw/zinc/70/79/39/1181707939.db2.gz QNPCOXKZEJXIBP-IYBDPMFKSA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001724628249 1181707944 /nfs/dbraw/zinc/70/79/44/1181707944.db2.gz QNPCOXKZEJXIBP-IYBDPMFKSA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001724628249 1181707952 /nfs/dbraw/zinc/70/79/52/1181707952.db2.gz QNPCOXKZEJXIBP-IYBDPMFKSA-N 2 1 293.455 1.683 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001724709629 1181731774 /nfs/dbraw/zinc/73/17/74/1181731774.db2.gz VKXHOEWBSSIPQB-BZUAXINKSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001725234149 1181930749 /nfs/dbraw/zinc/93/07/49/1181930749.db2.gz LPRWEHDNHSONTH-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731703808 1182522919 /nfs/dbraw/zinc/52/29/19/1182522919.db2.gz QSYQQFBWHWVUFZ-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001731883307 1182649908 /nfs/dbraw/zinc/64/99/08/1182649908.db2.gz DKGQGXMQLRITOV-INIZCTEOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001731883307 1182649911 /nfs/dbraw/zinc/64/99/11/1182649911.db2.gz DKGQGXMQLRITOV-INIZCTEOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NCCC[N@@H+](CC=C)C(C)C ZINC001732009246 1182723844 /nfs/dbraw/zinc/72/38/44/1182723844.db2.gz LINKZMCMGLLXLP-INIZCTEOSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC=C)C(C)C ZINC001732009246 1182723847 /nfs/dbraw/zinc/72/38/47/1182723847.db2.gz LINKZMCMGLLXLP-INIZCTEOSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC=C)C(C)C ZINC001732009246 1182723850 /nfs/dbraw/zinc/72/38/50/1182723850.db2.gz LINKZMCMGLLXLP-INIZCTEOSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC=C)C(C)C ZINC001732009246 1182723855 /nfs/dbraw/zinc/72/38/55/1182723855.db2.gz LINKZMCMGLLXLP-INIZCTEOSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC=C)C(C)C ZINC001732009246 1182723858 /nfs/dbraw/zinc/72/38/58/1182723858.db2.gz LINKZMCMGLLXLP-INIZCTEOSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732076368 1182752758 /nfs/dbraw/zinc/75/27/58/1182752758.db2.gz PLWDVXXPVDUJJU-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001732250895 1182883855 /nfs/dbraw/zinc/88/38/55/1182883855.db2.gz HBTNEMDZFZNMQQ-YOEHRIQHSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001732582511 1183026021 /nfs/dbraw/zinc/02/60/21/1183026021.db2.gz PLCMHGOPRZRXIO-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001733772372 1183528883 /nfs/dbraw/zinc/52/88/83/1183528883.db2.gz BNQMSBFMTCNICS-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733772372 1183528884 /nfs/dbraw/zinc/52/88/84/1183528884.db2.gz BNQMSBFMTCNICS-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733772372 1183528885 /nfs/dbraw/zinc/52/88/85/1183528885.db2.gz BNQMSBFMTCNICS-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001733852830 1183550660 /nfs/dbraw/zinc/55/06/60/1183550660.db2.gz WGCLUDCJDAFUOV-CABCVRRESA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001733933089 1183573203 /nfs/dbraw/zinc/57/32/03/1183573203.db2.gz SMAOIBRJWFNEDU-OAHLLOKOSA-N 2 1 291.439 1.724 10 30 CDEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001734098544 1183657879 /nfs/dbraw/zinc/65/78/79/1183657879.db2.gz YIMXXGIBIRVUSW-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001734172075 1183681995 /nfs/dbraw/zinc/68/19/95/1183681995.db2.gz ITKGPBYMZZRCJZ-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001734299940 1183719454 /nfs/dbraw/zinc/71/94/54/1183719454.db2.gz GKEWAMSPSUJXGX-JKSUJKDBSA-N 2 1 293.455 1.872 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CC3)C[C@@H]2C)CC1 ZINC001638816552 1166874907 /nfs/dbraw/zinc/87/49/07/1166874907.db2.gz QIDDAMYRWYRGJC-AWEZNQCLSA-N 2 1 289.423 1.027 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC001638816552 1166874917 /nfs/dbraw/zinc/87/49/17/1166874917.db2.gz QIDDAMYRWYRGJC-AWEZNQCLSA-N 2 1 289.423 1.027 10 30 CDEEMP C#C[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCCO1 ZINC000775350670 837387293 /nfs/dbraw/zinc/38/72/93/837387293.db2.gz POLYYJOUCVBORX-IRXDYDNUSA-N 2 1 296.374 1.846 10 30 CDEEMP C#C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635893 836597898 /nfs/dbraw/zinc/59/78/98/836597898.db2.gz HHPCUFWTUAYRGK-YUELXQCFSA-N 2 1 250.386 1.487 10 30 CDEEMP C#C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635893 836597930 /nfs/dbraw/zinc/59/79/30/836597930.db2.gz HHPCUFWTUAYRGK-YUELXQCFSA-N 2 1 250.386 1.487 10 30 CDEEMP C[N@H+]1CCC[C@H]2CN(Cc3cncc(C#N)c3)CC[C@H]21 ZINC000721571024 836673970 /nfs/dbraw/zinc/67/39/70/836673970.db2.gz AWSJZKOHPIZHBD-JKSUJKDBSA-N 2 1 270.380 1.869 10 30 CDEEMP CC(C)C[N@@H+](C[C@H](O)CC#N)CC1CC[NH+](C)CC1 ZINC000931564147 836846763 /nfs/dbraw/zinc/84/67/63/836846763.db2.gz KTUXHEBIRHRSKQ-OAHLLOKOSA-N 2 1 267.417 1.561 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933742014 841067694 /nfs/dbraw/zinc/06/76/94/841067694.db2.gz CKTPMXNVZAUNEH-WBVHZDCISA-N 2 1 285.391 1.821 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933742014 841067705 /nfs/dbraw/zinc/06/77/05/841067705.db2.gz CKTPMXNVZAUNEH-WBVHZDCISA-N 2 1 285.391 1.821 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933742014 841067721 /nfs/dbraw/zinc/06/77/21/841067721.db2.gz CKTPMXNVZAUNEH-WBVHZDCISA-N 2 1 285.391 1.821 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000933742014 841067729 /nfs/dbraw/zinc/06/77/29/841067729.db2.gz CKTPMXNVZAUNEH-WBVHZDCISA-N 2 1 285.391 1.821 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CCC[NH2+]1 ZINC000877451782 841272491 /nfs/dbraw/zinc/27/24/91/841272491.db2.gz QFQLSAWEYGCRNS-IJEWVQPXSA-N 2 1 277.412 1.380 10 30 CDEEMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCC(C#N)CC2)C1 ZINC000930903723 841800330 /nfs/dbraw/zinc/80/03/30/841800330.db2.gz ORZZRPBUWXLYRC-GPANFISMSA-N 2 1 279.428 1.705 10 30 CDEEMP C#CC[N@@H+](C)CCCN[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000926489879 842869263 /nfs/dbraw/zinc/86/92/63/842869263.db2.gz LFHZNADMMUBIQU-JKSUJKDBSA-N 2 1 263.429 1.548 10 30 CDEEMP C#CC[NH+](C)CCCN[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000926489879 842869267 /nfs/dbraw/zinc/86/92/67/842869267.db2.gz LFHZNADMMUBIQU-JKSUJKDBSA-N 2 1 263.429 1.548 10 30 CDEEMP C#CC[NH+](C)CCCN[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000926489879 842869268 /nfs/dbraw/zinc/86/92/68/842869268.db2.gz LFHZNADMMUBIQU-JKSUJKDBSA-N 2 1 263.429 1.548 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001571356931 1167591121 /nfs/dbraw/zinc/59/11/21/1167591121.db2.gz BGTLMUMRMVLXFE-UONOGXRCSA-N 2 1 265.401 1.093 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826381 1168434329 /nfs/dbraw/zinc/43/43/29/1168434329.db2.gz GZCHBGSQARQMJV-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826379 1168434592 /nfs/dbraw/zinc/43/45/92/1168434592.db2.gz GZCHBGSQARQMJV-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C[C@@H](C#N)OCCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001365349055 913089123 /nfs/dbraw/zinc/08/91/23/913089123.db2.gz YLGQVIIHNSDZCF-HRCADAONSA-N 2 1 277.412 1.723 10 30 CDEEMP C[C@@H](C#N)OCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001365349055 913089138 /nfs/dbraw/zinc/08/91/38/913089138.db2.gz YLGQVIIHNSDZCF-HRCADAONSA-N 2 1 277.412 1.723 10 30 CDEEMP C[C@@H](C#N)OCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001365349055 913089153 /nfs/dbraw/zinc/08/91/53/913089153.db2.gz YLGQVIIHNSDZCF-HRCADAONSA-N 2 1 277.412 1.723 10 30 CDEEMP C[C@@H](C#N)OCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001365349055 913089168 /nfs/dbraw/zinc/08/91/68/913089168.db2.gz YLGQVIIHNSDZCF-HRCADAONSA-N 2 1 277.412 1.723 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001567281787 1168656426 /nfs/dbraw/zinc/65/64/26/1168656426.db2.gz GDHARHAAODWTTA-GOEBONIOSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001272533651 913385037 /nfs/dbraw/zinc/38/50/37/913385037.db2.gz HJVINSIDOIBFSQ-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266346943 894482481 /nfs/dbraw/zinc/48/24/81/894482481.db2.gz JRYZOCNXIYGLRB-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266346943 894482487 /nfs/dbraw/zinc/48/24/87/894482487.db2.gz JRYZOCNXIYGLRB-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCn2ccnc2C1 ZINC001266399253 894702272 /nfs/dbraw/zinc/70/22/72/894702272.db2.gz PSHKRKCSOYWPFH-AWEZNQCLSA-N 2 1 290.411 1.460 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266463318 894986262 /nfs/dbraw/zinc/98/62/62/894986262.db2.gz JBPRRLUJYSLERU-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266463318 894986269 /nfs/dbraw/zinc/98/62/69/894986269.db2.gz JBPRRLUJYSLERU-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266463318 894986275 /nfs/dbraw/zinc/98/62/75/894986275.db2.gz JBPRRLUJYSLERU-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP 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CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482606280 907873287 /nfs/dbraw/zinc/87/32/87/907873287.db2.gz NBZTVWWBKYOZIF-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482606280 907873299 /nfs/dbraw/zinc/87/32/99/907873299.db2.gz NBZTVWWBKYOZIF-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001567976879 1169103850 /nfs/dbraw/zinc/10/38/50/1169103850.db2.gz MBGPIFQLTYVNJY-CQSZACIVSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568077089 1169132669 /nfs/dbraw/zinc/13/26/69/1169132669.db2.gz WIRQGNNFOJFPQD-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[N@H+](C)CC)C2 ZINC001484390860 915709762 /nfs/dbraw/zinc/70/97/62/915709762.db2.gz VGDYDXCICHBYBY-MUJYYYPQSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)CC)C2 ZINC001484390860 915709774 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C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000923329794 923741336 /nfs/dbraw/zinc/74/13/36/923741336.db2.gz OYCOFEUHNBORRN-QLFBSQMISA-N 2 1 252.402 1.778 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001491351307 936898016 /nfs/dbraw/zinc/89/80/16/936898016.db2.gz CYLBVRAIPOBUKZ-UHFFFAOYSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[NH2+]C1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001491371823 936900107 /nfs/dbraw/zinc/90/01/07/936900107.db2.gz WXCDJLRUAJZLRJ-UHFFFAOYSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001490309714 927109859 /nfs/dbraw/zinc/10/98/59/927109859.db2.gz MUTZXESPYYUTDM-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001490580165 927239081 /nfs/dbraw/zinc/23/90/81/927239081.db2.gz RQVKOUMHSYQAPH-IAGOWNOFSA-N 2 1 299.418 1.503 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001490580165 927239091 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CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264185687 944096253 /nfs/dbraw/zinc/09/62/53/944096253.db2.gz HOGUHPTUIIGNNN-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001264370570 944113568 /nfs/dbraw/zinc/11/35/68/944113568.db2.gz FURIAYAOXJFTBJ-ZIAGYGMSSA-N 2 1 267.417 1.291 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001264370570 944113573 /nfs/dbraw/zinc/11/35/73/944113573.db2.gz FURIAYAOXJFTBJ-ZIAGYGMSSA-N 2 1 267.417 1.291 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001277954175 944205942 /nfs/dbraw/zinc/20/59/42/944205942.db2.gz NHQHPIMJJDRPEK-JKSUJKDBSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001265408098 944376303 /nfs/dbraw/zinc/37/63/03/944376303.db2.gz AXHVUMACNLRZJU-OWCLPIDISA-N 2 1 293.455 1.968 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265655913 944458272 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CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001479968262 971515465 /nfs/dbraw/zinc/51/54/65/971515465.db2.gz DITQQDQKIQHCTL-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001479968262 971515469 /nfs/dbraw/zinc/51/54/69/971515469.db2.gz DITQQDQKIQHCTL-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001479968262 971515475 /nfs/dbraw/zinc/51/54/75/971515475.db2.gz DITQQDQKIQHCTL-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480057968 971559399 /nfs/dbraw/zinc/55/93/99/971559399.db2.gz BPOSNOCAGCTCNX-ZFWWWQNUSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480536328 971774032 /nfs/dbraw/zinc/77/40/32/971774032.db2.gz FMCCMZAIQZVAIM-ZDUSSCGKSA-N 2 1 269.433 1.635 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480624747 971814560 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C=CCC[N@H+](CCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001493445257 972055105 /nfs/dbraw/zinc/05/51/05/972055105.db2.gz PYRFCRKJSCXWBN-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001328049053 955174528 /nfs/dbraw/zinc/17/45/28/955174528.db2.gz FCTOVWGBAUACLR-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001328647547 955394083 /nfs/dbraw/zinc/39/40/83/955394083.db2.gz NENNWBYECZEQGI-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001493806867 972117348 /nfs/dbraw/zinc/11/73/48/972117348.db2.gz QZMKJUFJADCHJX-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001492383653 955847565 /nfs/dbraw/zinc/84/75/65/955847565.db2.gz GRMBAEKWAZVAKI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001492383653 955847578 /nfs/dbraw/zinc/84/75/78/955847578.db2.gz GRMBAEKWAZVAKI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001492383653 955847590 /nfs/dbraw/zinc/84/75/90/955847590.db2.gz GRMBAEKWAZVAKI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001493902973 972135036 /nfs/dbraw/zinc/13/50/36/972135036.db2.gz GMHKBJYFGXPXRD-IRXDYDNUSA-N 2 1 299.418 1.409 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329441495 955916615 /nfs/dbraw/zinc/91/66/15/955916615.db2.gz NGLLJPGLSFXHPK-ZBFHGGJFSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001317081955 957256297 /nfs/dbraw/zinc/25/62/97/957256297.db2.gz ZGYQNGKWYDHLMW-JOCQHMNTSA-N 2 1 262.357 1.004 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317414959 957461570 /nfs/dbraw/zinc/46/15/70/957461570.db2.gz GEXZYSSSBCGCCW-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001317435275 957468247 /nfs/dbraw/zinc/46/82/47/957468247.db2.gz QVOIDFVAOLIRFF-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317435275 957468251 /nfs/dbraw/zinc/46/82/51/957468251.db2.gz QVOIDFVAOLIRFF-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001317435275 957468254 /nfs/dbraw/zinc/46/82/54/957468254.db2.gz QVOIDFVAOLIRFF-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001317679659 957636377 /nfs/dbraw/zinc/63/63/77/957636377.db2.gz YEZKTNIMZZBLMB-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001317728576 957649457 /nfs/dbraw/zinc/64/94/57/957649457.db2.gz NTGPOHDZTOBKBQ-MRXNPFEDSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686696 972288852 /nfs/dbraw/zinc/28/88/52/972288852.db2.gz YPQZRKXBFGIMAS-GJZGRUSLSA-N 2 1 277.412 1.334 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686696 972288853 /nfs/dbraw/zinc/28/88/53/972288853.db2.gz YPQZRKXBFGIMAS-GJZGRUSLSA-N 2 1 277.412 1.334 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318061603 957894546 /nfs/dbraw/zinc/89/45/46/957894546.db2.gz ZMZXSHGRWKMHRM-ZIAGYGMSSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318061603 957894567 /nfs/dbraw/zinc/89/45/67/957894567.db2.gz ZMZXSHGRWKMHRM-ZIAGYGMSSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001494775838 972307061 /nfs/dbraw/zinc/30/70/61/972307061.db2.gz XAHNRCCVNQROEW-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494775838 972307067 /nfs/dbraw/zinc/30/70/67/972307067.db2.gz XAHNRCCVNQROEW-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494775838 972307070 /nfs/dbraw/zinc/30/70/70/972307070.db2.gz XAHNRCCVNQROEW-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001318726476 958245248 /nfs/dbraw/zinc/24/52/48/958245248.db2.gz IMZXFUZJCMFLKS-INIZCTEOSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001320041713 958900331 /nfs/dbraw/zinc/90/03/31/958900331.db2.gz HLWAVGOPNWBQKL-UHFFFAOYSA-N 2 1 283.460 1.931 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001320041713 958900346 /nfs/dbraw/zinc/90/03/46/958900346.db2.gz HLWAVGOPNWBQKL-UHFFFAOYSA-N 2 1 283.460 1.931 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001320041713 958900355 /nfs/dbraw/zinc/90/03/55/958900355.db2.gz HLWAVGOPNWBQKL-UHFFFAOYSA-N 2 1 283.460 1.931 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001495095455 972406516 /nfs/dbraw/zinc/40/65/16/972406516.db2.gz WIOILKHOMFPDIJ-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001322693072 960298040 /nfs/dbraw/zinc/29/80/40/960298040.db2.gz BLIWXWWISVTJAY-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001495432357 972497933 /nfs/dbraw/zinc/49/79/33/972497933.db2.gz HYRPMNNRRVYAFY-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001324261043 961269044 /nfs/dbraw/zinc/26/90/44/961269044.db2.gz NZEMVVWCMAIUQD-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001420014256 962367805 /nfs/dbraw/zinc/36/78/05/962367805.db2.gz MALXCKFNRGRMMA-STQMWFEESA-N 2 1 285.819 1.129 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001569363222 1169805106 /nfs/dbraw/zinc/80/51/06/1169805106.db2.gz OVNLDMNTEBRDFF-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001371832334 972652332 /nfs/dbraw/zinc/65/23/32/972652332.db2.gz KCOOECRCBBAIHQ-DGCLKSJQSA-N 2 1 287.835 1.565 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001495963481 972721868 /nfs/dbraw/zinc/72/18/68/972721868.db2.gz YDIPXNIFNBYQNM-ZDUSSCGKSA-N 2 1 265.401 1.143 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496707317 973058425 /nfs/dbraw/zinc/05/84/25/973058425.db2.gz PJSDUKWCOCVFDT-UONOGXRCSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001496707317 973058436 /nfs/dbraw/zinc/05/84/36/973058436.db2.gz PJSDUKWCOCVFDT-UONOGXRCSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001496707317 973058449 /nfs/dbraw/zinc/05/84/49/973058449.db2.gz PJSDUKWCOCVFDT-UONOGXRCSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569662094 1169959860 /nfs/dbraw/zinc/95/98/60/1169959860.db2.gz OISNMXPLTYBABP-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001497728682 973480893 /nfs/dbraw/zinc/48/08/93/973480893.db2.gz BVNVMJWLCGMAIW-DOOKAGJSSA-N 2 1 299.418 1.575 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498415311 973898700 /nfs/dbraw/zinc/89/87/00/973898700.db2.gz LHQMIGKVXLWSOE-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001500396338 974430881 /nfs/dbraw/zinc/43/08/81/974430881.db2.gz ASNZRSYISWADBR-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001501569380 974601481 /nfs/dbraw/zinc/60/14/81/974601481.db2.gz XJAFMORTFFITNG-RBSFLKMASA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001501579182 974602518 /nfs/dbraw/zinc/60/25/18/974602518.db2.gz ZGIYDRQPXBHJQB-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001502143423 974704652 /nfs/dbraw/zinc/70/46/52/974704652.db2.gz RGHKSHPXRQIJLR-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(C1)CCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001502547782 974749697 /nfs/dbraw/zinc/74/96/97/974749697.db2.gz FAXIAFCHILXHGA-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001502547782 974749704 /nfs/dbraw/zinc/74/97/04/974749704.db2.gz FAXIAFCHILXHGA-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001502547782 974749707 /nfs/dbraw/zinc/74/97/07/974749707.db2.gz FAXIAFCHILXHGA-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001503208328 974816409 /nfs/dbraw/zinc/81/64/09/974816409.db2.gz QGRMLFVPYQLRGU-KBPBESRZSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CC[NH+]1CCCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001506864380 975238187 /nfs/dbraw/zinc/23/81/87/975238187.db2.gz DQHKZCNOMXIFME-UHFFFAOYSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001506864380 975238189 /nfs/dbraw/zinc/23/81/89/975238189.db2.gz DQHKZCNOMXIFME-UHFFFAOYSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001506864380 975238195 /nfs/dbraw/zinc/23/81/95/975238195.db2.gz DQHKZCNOMXIFME-UHFFFAOYSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001404513359 975411001 /nfs/dbraw/zinc/41/10/01/975411001.db2.gz KQVAENVEVZURMO-ZDUSSCGKSA-N 2 1 287.835 1.519 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507904174 975563512 /nfs/dbraw/zinc/56/35/12/975563512.db2.gz SBEPFUVKQVWOPR-STQMWFEESA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492974769 976941311 /nfs/dbraw/zinc/94/13/11/976941311.db2.gz QXHMPVOYWFNWNG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001492974769 976941324 /nfs/dbraw/zinc/94/13/24/976941324.db2.gz QXHMPVOYWFNWNG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001492974769 976941340 /nfs/dbraw/zinc/94/13/40/976941340.db2.gz QXHMPVOYWFNWNG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001569881690 1170026913 /nfs/dbraw/zinc/02/69/13/1170026913.db2.gz MMHLQAGZCOIWPD-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001569881690 1170026922 /nfs/dbraw/zinc/02/69/22/1170026922.db2.gz MMHLQAGZCOIWPD-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001569881690 1170026929 /nfs/dbraw/zinc/02/69/29/1170026929.db2.gz MMHLQAGZCOIWPD-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001674491111 1173954638 /nfs/dbraw/zinc/95/46/38/1173954638.db2.gz KUAZRSLBFLIWRR-OAHLLOKOSA-N 2 1 289.423 1.028 10 30 CDEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001674872771 1174018885 /nfs/dbraw/zinc/01/88/85/1174018885.db2.gz QKSRBQKJLSEJAS-UHFFFAOYSA-N 2 1 292.427 1.842 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001676222656 1174193975 /nfs/dbraw/zinc/19/39/75/1174193975.db2.gz WKFOWUQALRHPKQ-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545737 1170185608 /nfs/dbraw/zinc/18/56/08/1170185608.db2.gz WZZTWSDYFANCRG-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570545737 1170185610 /nfs/dbraw/zinc/18/56/10/1170185610.db2.gz WZZTWSDYFANCRG-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570545737 1170185613 /nfs/dbraw/zinc/18/56/13/1170185613.db2.gz WZZTWSDYFANCRG-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001570897457 1170312868 /nfs/dbraw/zinc/31/28/68/1170312868.db2.gz RRNWOUOKWBGOBN-CQSZACIVSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001570897457 1170312875 /nfs/dbraw/zinc/31/28/75/1170312875.db2.gz RRNWOUOKWBGOBN-CQSZACIVSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001570897457 1170312876 /nfs/dbraw/zinc/31/28/76/1170312876.db2.gz RRNWOUOKWBGOBN-CQSZACIVSA-N 2 1 279.428 1.483 10 30 CDEEMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721074 342244728 /nfs/dbraw/zinc/24/47/28/342244728.db2.gz KUJGAIRPKWGVSJ-ZIAGYGMSSA-N 2 1 265.401 1.363 10 30 CDEEMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600726709 342245399 /nfs/dbraw/zinc/24/53/99/342245399.db2.gz UHEYNXNEZPPFKN-CQSZACIVSA-N 2 1 276.384 1.616 10 30 CDEEMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594499773 342914187 /nfs/dbraw/zinc/91/41/87/342914187.db2.gz JJNVLUVVIUGCKR-KRWDZBQOSA-N 2 1 287.407 1.644 10 30 CDEEMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594499773 342914188 /nfs/dbraw/zinc/91/41/88/342914188.db2.gz JJNVLUVVIUGCKR-KRWDZBQOSA-N 2 1 287.407 1.644 10 30 CDEEMP C[C@@H]([NH3+])C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595908232 343189083 /nfs/dbraw/zinc/18/90/83/343189083.db2.gz GITKECUCWQAOID-GFCCVEGCSA-N 2 1 259.353 1.501 10 30 CDEEMP C[C@H](CC#N)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000596899182 343411612 /nfs/dbraw/zinc/41/16/12/343411612.db2.gz DWUXVEYKMCRLKM-GFCCVEGCSA-N 2 1 287.367 1.322 10 30 CDEEMP CNC(NC[C@@H]1CCC[N@H+]1C1CCCCC1)=[NH+]C ZINC000366837639 378938113 /nfs/dbraw/zinc/93/81/13/378938113.db2.gz XVLWNRASKMTBAO-ZDUSSCGKSA-N 2 1 252.406 1.578 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nn1 ZINC000655941418 412954453 /nfs/dbraw/zinc/95/44/53/412954453.db2.gz TUDGKKAWFJIBRI-LSDHHAIUSA-N 2 1 289.427 1.676 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001663287972 1172667260 /nfs/dbraw/zinc/66/72/60/1172667260.db2.gz FONAXWVWYPBUFU-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001663287972 1172667264 /nfs/dbraw/zinc/66/72/64/1172667264.db2.gz FONAXWVWYPBUFU-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOCCC#N)CC1 ZINC000338981983 391237903 /nfs/dbraw/zinc/23/79/03/391237903.db2.gz QVGSLDVRONIGPH-INIZCTEOSA-N 2 1 294.443 1.019 10 30 CDEEMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOCCC#N)CC1 ZINC000338981983 391237906 /nfs/dbraw/zinc/23/79/06/391237906.db2.gz QVGSLDVRONIGPH-INIZCTEOSA-N 2 1 294.443 1.019 10 30 CDEEMP N#CCCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339006017 391239853 /nfs/dbraw/zinc/23/98/53/391239853.db2.gz NQZXQWKZQABEGX-HNNXBMFYSA-N 2 1 265.401 1.724 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339006017 391239856 /nfs/dbraw/zinc/23/98/56/391239856.db2.gz NQZXQWKZQABEGX-HNNXBMFYSA-N 2 1 265.401 1.724 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000339044927 391245001 /nfs/dbraw/zinc/24/50/01/391245001.db2.gz QNTOROFKMMGVIP-GOEBONIOSA-N 2 1 277.412 1.865 10 30 CDEEMP N#CCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044927 391245005 /nfs/dbraw/zinc/24/50/05/391245005.db2.gz QNTOROFKMMGVIP-GOEBONIOSA-N 2 1 277.412 1.865 10 30 CDEEMP N#CCCOCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339044927 391245008 /nfs/dbraw/zinc/24/50/08/391245008.db2.gz QNTOROFKMMGVIP-GOEBONIOSA-N 2 1 277.412 1.865 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001663548860 1172721081 /nfs/dbraw/zinc/72/10/81/1172721081.db2.gz WSRMKWQMUXVHCM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001663548860 1172721083 /nfs/dbraw/zinc/72/10/83/1172721083.db2.gz WSRMKWQMUXVHCM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001663761554 1172757053 /nfs/dbraw/zinc/75/70/53/1172757053.db2.gz URXROWSSXRBHBD-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001663761554 1172757059 /nfs/dbraw/zinc/75/70/59/1172757059.db2.gz URXROWSSXRBHBD-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC1 ZINC001663761554 1172757061 /nfs/dbraw/zinc/75/70/61/1172757061.db2.gz URXROWSSXRBHBD-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001663761554 1172757067 /nfs/dbraw/zinc/75/70/67/1172757067.db2.gz URXROWSSXRBHBD-JKSUJKDBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001664187544 1172821462 /nfs/dbraw/zinc/82/14/62/1172821462.db2.gz YZJBHPSTLBAXDI-MRXNPFEDSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCOCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658206554 413281557 /nfs/dbraw/zinc/28/15/57/413281557.db2.gz OUMGKKXTDCKVJD-OAHLLOKOSA-N 2 1 268.401 1.422 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000662688285 413316650 /nfs/dbraw/zinc/31/66/50/413316650.db2.gz NTXMNZWAWOXYJQ-IIAWOOMASA-N 2 1 277.412 1.428 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665192291 1172960515 /nfs/dbraw/zinc/96/05/15/1172960515.db2.gz XIZMACRWWGIHAT-JSGCOSHPSA-N 2 1 267.417 1.482 10 30 CDEEMP C#C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001665359929 1172984628 /nfs/dbraw/zinc/98/46/28/1172984628.db2.gz VUKJBGCAHMUIEB-DJIMGWMZSA-N 2 1 272.392 1.481 10 30 CDEEMP C#C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001665359929 1172984633 /nfs/dbraw/zinc/98/46/33/1172984633.db2.gz VUKJBGCAHMUIEB-DJIMGWMZSA-N 2 1 272.392 1.481 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001665592791 1173018348 /nfs/dbraw/zinc/01/83/48/1173018348.db2.gz WHKWVFVYCFHQDZ-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001665592791 1173018354 /nfs/dbraw/zinc/01/83/54/1173018354.db2.gz WHKWVFVYCFHQDZ-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001665592791 1173018359 /nfs/dbraw/zinc/01/83/59/1173018359.db2.gz WHKWVFVYCFHQDZ-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750077 174395337 /nfs/dbraw/zinc/39/53/37/174395337.db2.gz ACZAYVSBYVKJRX-AGUYFDCRSA-N 2 1 263.385 1.141 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000040750077 174395338 /nfs/dbraw/zinc/39/53/38/174395338.db2.gz ACZAYVSBYVKJRX-AGUYFDCRSA-N 2 1 263.385 1.141 10 30 CDEEMP CCC[N@@H+](CCO)Cc1cc(C#CC[NH3+])cs1 ZINC000043688979 175095868 /nfs/dbraw/zinc/09/58/68/175095868.db2.gz KSWLRTHJJHKIEO-UHFFFAOYSA-N 2 1 252.383 1.263 10 30 CDEEMP CN[C@@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311138 175356601 /nfs/dbraw/zinc/35/66/01/175356601.db2.gz CXPZDYQUZPNZSK-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP CN[C@@](C)(C#N)CCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307900 175356617 /nfs/dbraw/zinc/35/66/17/175356617.db2.gz KURVRCRDLAEPDA-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP CN[C@@](C)(C#N)CCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307900 175356618 /nfs/dbraw/zinc/35/66/18/175356618.db2.gz KURVRCRDLAEPDA-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP C[C@](N)(C#N)CCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000045313143 175357045 /nfs/dbraw/zinc/35/70/45/175357045.db2.gz ZHDHJZPABLQWGO-MRXNPFEDSA-N 2 1 278.444 1.958 10 30 CDEEMP CC[NH+]1CCC([N@H+](C)CCC[C@](C)(N)C#N)CC1 ZINC000045317122 175358214 /nfs/dbraw/zinc/35/82/14/175358214.db2.gz VQQOWHNEOGMVAY-AWEZNQCLSA-N 2 1 252.406 1.424 10 30 CDEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@](C)(N)C#N)CC1 ZINC000045317122 175358215 /nfs/dbraw/zinc/35/82/15/175358215.db2.gz VQQOWHNEOGMVAY-AWEZNQCLSA-N 2 1 252.406 1.424 10 30 CDEEMP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(C#N)ccc1F ZINC000071150642 176045036 /nfs/dbraw/zinc/04/50/36/176045036.db2.gz JYZVXJRDSVDCPN-UHFFFAOYSA-N 2 1 276.359 1.034 10 30 CDEEMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(C#N)ccc1F ZINC000071150642 176045037 /nfs/dbraw/zinc/04/50/37/176045037.db2.gz JYZVXJRDSVDCPN-UHFFFAOYSA-N 2 1 276.359 1.034 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001666747362 1173182201 /nfs/dbraw/zinc/18/22/01/1173182201.db2.gz IPOHDRJUBUBNED-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000160812827 264262254 /nfs/dbraw/zinc/26/22/54/264262254.db2.gz FBSUVVHCFYVBIS-CQSZACIVSA-N 2 1 298.500 1.860 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001667692812 1173312643 /nfs/dbraw/zinc/31/26/43/1173312643.db2.gz CZMMUVJEMCJAPK-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671892941 1173720188 /nfs/dbraw/zinc/72/01/88/1173720188.db2.gz VQYMYGDSDTZLRJ-NVXWUHKLSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001673189304 1173834120 /nfs/dbraw/zinc/83/41/20/1173834120.db2.gz GYOKZXXSMGEUQD-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000177491112 329184555 /nfs/dbraw/zinc/18/45/55/329184555.db2.gz PLSRNMDAGQDQTG-GDBMZVCRSA-N 2 1 284.444 1.338 10 30 CDEEMP C[NH+](C)[C@@]1(CNC(=[NH2+])NC2CCCCC2)CCSC1 ZINC000262470959 330015602 /nfs/dbraw/zinc/01/56/02/330015602.db2.gz OVSFQPOKKBTPJC-CQSZACIVSA-N 2 1 284.473 1.661 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N1CC[NH+](CC(C)C)CC1 ZINC000262766665 330030067 /nfs/dbraw/zinc/03/00/67/330030067.db2.gz GIISFGVRVIPAJG-UHFFFAOYSA-N 2 1 266.433 1.778 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725173839 1159178514 /nfs/dbraw/zinc/17/85/14/1159178514.db2.gz HNANOEFOVJVQKT-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725173839 1159178518 /nfs/dbraw/zinc/17/85/18/1159178518.db2.gz HNANOEFOVJVQKT-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCc2cnc[nH]2)C1 ZINC001481728245 1159913909 /nfs/dbraw/zinc/91/39/09/1159913909.db2.gz WLPYZIUXSTUCFX-ZDUSSCGKSA-N 2 1 262.357 1.061 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001713029902 1178316341 /nfs/dbraw/zinc/31/63/41/1178316341.db2.gz NGTIKACUEZKILI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001671736235 1161394027 /nfs/dbraw/zinc/39/40/27/1161394027.db2.gz QBPQRXIGJFGSPM-FMKPAKJESA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732590472 1183033294 /nfs/dbraw/zinc/03/32/94/1183033294.db2.gz UUENMFUJFMZYAG-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP [NH3+]CC#Cc1ccc(OCC[N@H+]2CCCSCC2)cc1 ZINC000049609936 527152527 /nfs/dbraw/zinc/15/25/27/527152527.db2.gz LNWGKAUMLBYLQA-UHFFFAOYSA-N 2 1 290.432 1.815 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001689298904 1175140776 /nfs/dbraw/zinc/14/07/76/1175140776.db2.gz WFCKLJQDSXUINV-ILXRZTDVSA-N 2 1 279.428 1.175 10 30 CDEEMP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001689925471 1175309844 /nfs/dbraw/zinc/30/98/44/1175309844.db2.gz QHPLJWVGHZCMCF-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001689925471 1175309852 /nfs/dbraw/zinc/30/98/52/1175309852.db2.gz QHPLJWVGHZCMCF-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001689925471 1175309860 /nfs/dbraw/zinc/30/98/60/1175309860.db2.gz QHPLJWVGHZCMCF-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001689925471 1175309867 /nfs/dbraw/zinc/30/98/67/1175309867.db2.gz QHPLJWVGHZCMCF-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317325 1175434798 /nfs/dbraw/zinc/43/47/98/1175434798.db2.gz GBFXZXZXAKHHGN-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940842625 613262902 /nfs/dbraw/zinc/26/29/02/613262902.db2.gz KUDDVCGKVBZOPH-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842625 613262904 /nfs/dbraw/zinc/26/29/04/613262904.db2.gz KUDDVCGKVBZOPH-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940842625 613262906 /nfs/dbraw/zinc/26/29/06/613262906.db2.gz KUDDVCGKVBZOPH-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@@H+](C)C1 ZINC000900827066 623536236 /nfs/dbraw/zinc/53/62/36/623536236.db2.gz DYKCHISAIMBVPM-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905095000 626636288 /nfs/dbraw/zinc/63/62/88/626636288.db2.gz HCCAASLQYAAYJE-HNNXBMFYSA-N 2 1 282.428 1.283 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001772514816 1158537626 /nfs/dbraw/zinc/53/76/26/1158537626.db2.gz MUEPDIHGWCWZPI-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001691198062 1158953309 /nfs/dbraw/zinc/95/33/09/1158953309.db2.gz FQNCPLOMQPCPAQ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001691198062 1158953314 /nfs/dbraw/zinc/95/33/14/1158953314.db2.gz FQNCPLOMQPCPAQ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001691198062 1158953321 /nfs/dbraw/zinc/95/33/21/1158953321.db2.gz FQNCPLOMQPCPAQ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691196588 1158954736 /nfs/dbraw/zinc/95/47/36/1158954736.db2.gz VCFJXYSPSYASMS-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691196588 1158954738 /nfs/dbraw/zinc/95/47/38/1158954738.db2.gz VCFJXYSPSYASMS-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691196588 1158954741 /nfs/dbraw/zinc/95/47/41/1158954741.db2.gz VCFJXYSPSYASMS-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266766690 1158814148 /nfs/dbraw/zinc/81/41/48/1158814148.db2.gz IPZKEMAKGAZLSG-JKSUJKDBSA-N 2 1 293.455 1.424 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001267994579 1159640040 /nfs/dbraw/zinc/64/00/40/1159640040.db2.gz SILXYYUQFNVNJR-CVEARBPZSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732234662 1159766693 /nfs/dbraw/zinc/76/66/93/1159766693.db2.gz PRTKCWKYXGRWLM-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482665019 1160594355 /nfs/dbraw/zinc/59/43/55/1160594355.db2.gz YOCUOQDDAUVBGD-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001700735375 1160798215 /nfs/dbraw/zinc/79/82/15/1160798215.db2.gz BHZMZRPUIXZTGA-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP 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CC#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001699362486 1176318709 /nfs/dbraw/zinc/31/87/09/1176318709.db2.gz AILUYPIJNRBMJF-ZIAGYGMSSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001699419254 1176383471 /nfs/dbraw/zinc/38/34/71/1176383471.db2.gz GTKCSWVYDMVCSS-WCQYABFASA-N 2 1 276.384 1.034 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699460901 1176424069 /nfs/dbraw/zinc/42/40/69/1176424069.db2.gz UVUALDXSHVNBAT-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001699861163 1176658689 /nfs/dbraw/zinc/65/86/89/1176658689.db2.gz FYSKLFIMTRFQIR-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001699978170 1176702735 /nfs/dbraw/zinc/70/27/35/1176702735.db2.gz TYFLSYSHFWKHAZ-MUJYYYPQSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001700090009 1176744705 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C#CCC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001700221719 1176806526 /nfs/dbraw/zinc/80/65/26/1176806526.db2.gz BDPMYRFACKWYPI-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001700317824 1176847001 /nfs/dbraw/zinc/84/70/01/1176847001.db2.gz MLJIJHXFZUWIIM-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700487523 1176976040 /nfs/dbraw/zinc/97/60/40/1176976040.db2.gz KZHWNOIVGIYLHU-GOEBONIOSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001700487523 1176976043 /nfs/dbraw/zinc/97/60/43/1176976043.db2.gz KZHWNOIVGIYLHU-GOEBONIOSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001700618362 1177036695 /nfs/dbraw/zinc/03/66/95/1177036695.db2.gz YEMQPSVWLVHWRR-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001700618362 1177036702 /nfs/dbraw/zinc/03/67/02/1177036702.db2.gz YEMQPSVWLVHWRR-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001700618362 1177036703 /nfs/dbraw/zinc/03/67/03/1177036703.db2.gz YEMQPSVWLVHWRR-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C(C)(C)C ZINC001700988457 1177228286 /nfs/dbraw/zinc/22/82/86/1177228286.db2.gz QPHATCYJZWNPES-LSDHHAIUSA-N 2 1 293.455 1.613 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C(C)(C)C ZINC001700988457 1177228293 /nfs/dbraw/zinc/22/82/93/1177228293.db2.gz QPHATCYJZWNPES-LSDHHAIUSA-N 2 1 293.455 1.613 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001713029902 1178316336 /nfs/dbraw/zinc/31/63/36/1178316336.db2.gz NGTIKACUEZKILI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001713029902 1178316329 /nfs/dbraw/zinc/31/63/29/1178316329.db2.gz NGTIKACUEZKILI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001713135756 1178390225 /nfs/dbraw/zinc/39/02/25/1178390225.db2.gz PRHSJBINZWFOST-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001713135756 1178390233 /nfs/dbraw/zinc/39/02/33/1178390233.db2.gz PRHSJBINZWFOST-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001713135756 1178390241 /nfs/dbraw/zinc/39/02/41/1178390241.db2.gz PRHSJBINZWFOST-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379954 1178529769 /nfs/dbraw/zinc/52/97/69/1178529769.db2.gz YBWWQLZDAHHJLU-LSDHHAIUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[N@@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001713551133 1178641292 /nfs/dbraw/zinc/64/12/92/1178641292.db2.gz BSQVWBQNEGXHPV-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713739564 1178730699 /nfs/dbraw/zinc/73/06/99/1178730699.db2.gz FSNOMRMXCUBVPR-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713739564 1178730703 /nfs/dbraw/zinc/73/07/03/1178730703.db2.gz FSNOMRMXCUBVPR-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713739564 1178730705 /nfs/dbraw/zinc/73/07/05/1178730705.db2.gz FSNOMRMXCUBVPR-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713824404 1178775586 /nfs/dbraw/zinc/77/55/86/1178775586.db2.gz DOHNTWNRXZLLOP-GJZGRUSLSA-N 2 1 299.434 1.823 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713824707 1178776906 /nfs/dbraw/zinc/77/69/06/1178776906.db2.gz ZWWZJYXTNUEWCW-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713824707 1178776907 /nfs/dbraw/zinc/77/69/07/1178776907.db2.gz ZWWZJYXTNUEWCW-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713900140 1178830941 /nfs/dbraw/zinc/83/09/41/1178830941.db2.gz QOVMNIBWDRLZTC-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713900140 1178830947 /nfs/dbraw/zinc/83/09/47/1178830947.db2.gz QOVMNIBWDRLZTC-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001713900140 1178830954 /nfs/dbraw/zinc/83/09/54/1178830954.db2.gz QOVMNIBWDRLZTC-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001713950696 1178881022 /nfs/dbraw/zinc/88/10/22/1178881022.db2.gz BTNZATUMJKXXEI-HDJSIYSDSA-N 2 1 276.384 1.545 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713987073 1178910535 /nfs/dbraw/zinc/91/05/35/1178910535.db2.gz CEHPDHCHMVLIEA-XUWVNRHRSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001714111479 1178978345 /nfs/dbraw/zinc/97/83/45/1178978345.db2.gz ZKVOJHWCHSARSO-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714153085 1178993573 /nfs/dbraw/zinc/99/35/73/1178993573.db2.gz YKWFXKAWCSVKLQ-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714153085 1178993580 /nfs/dbraw/zinc/99/35/80/1178993580.db2.gz YKWFXKAWCSVKLQ-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714153085 1178993586 /nfs/dbraw/zinc/99/35/86/1178993586.db2.gz YKWFXKAWCSVKLQ-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001714290982 1179069219 /nfs/dbraw/zinc/06/92/19/1179069219.db2.gz IMAZAVUBWCZVJO-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001714377786 1179112963 /nfs/dbraw/zinc/11/29/63/1179112963.db2.gz BXUGZMMWCYZCLK-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714548487 1179205409 /nfs/dbraw/zinc/20/54/09/1179205409.db2.gz PKXQZMLEWJRGFZ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714548487 1179205416 /nfs/dbraw/zinc/20/54/16/1179205416.db2.gz PKXQZMLEWJRGFZ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714548487 1179205423 /nfs/dbraw/zinc/20/54/23/1179205423.db2.gz PKXQZMLEWJRGFZ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001714919551 1179452981 /nfs/dbraw/zinc/45/29/81/1179452981.db2.gz NSEYMBGYYQYQHK-HRCADAONSA-N 2 1 293.455 1.470 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001715544051 1179710599 /nfs/dbraw/zinc/71/05/99/1179710599.db2.gz IXFQCCHSUGPNSD-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715835122 1179858981 /nfs/dbraw/zinc/85/89/81/1179858981.db2.gz NNPZAPODFWIAOD-ZPIQOJFGSA-N 2 1 279.428 1.699 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716030230 1180005558 /nfs/dbraw/zinc/00/55/58/1180005558.db2.gz NVXRJMHSPCRYOA-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716030230 1180005563 /nfs/dbraw/zinc/00/55/63/1180005563.db2.gz NVXRJMHSPCRYOA-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716030230 1180005567 /nfs/dbraw/zinc/00/55/67/1180005567.db2.gz NVXRJMHSPCRYOA-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC001716682666 1180366720 /nfs/dbraw/zinc/36/67/20/1180366720.db2.gz SNPLAQMAKGLZNV-CYBMUJFWSA-N 2 1 290.411 1.821 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001716824510 1180426029 /nfs/dbraw/zinc/42/60/29/1180426029.db2.gz FAERSLYVVZGQRA-HZPDHXFCSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001716983960 1180491721 /nfs/dbraw/zinc/49/17/21/1180491721.db2.gz AGPSDTVBVLYLMH-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001717013841 1180501671 /nfs/dbraw/zinc/50/16/71/1180501671.db2.gz UZZVZPXAUMDYAM-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001717013841 1180501675 /nfs/dbraw/zinc/50/16/75/1180501675.db2.gz UZZVZPXAUMDYAM-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001717013841 1180501677 /nfs/dbraw/zinc/50/16/77/1180501677.db2.gz UZZVZPXAUMDYAM-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001717373040 1180636065 /nfs/dbraw/zinc/63/60/65/1180636065.db2.gz GPGSNVACPZKAER-OAHLLOKOSA-N 2 1 290.411 1.841 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001717747866 1180826937 /nfs/dbraw/zinc/82/69/37/1180826937.db2.gz VUDZXBJRKIVVTE-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001723044079 1181513559 /nfs/dbraw/zinc/51/35/59/1181513559.db2.gz SXDQPUYISWLAIJ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001723152174 1181521594 /nfs/dbraw/zinc/52/15/94/1181521594.db2.gz DHGVCDOJZBKXOY-UHFFFAOYSA-N 2 1 290.411 1.433 10 30 CDEEMP C=CCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724023445 1181630229 /nfs/dbraw/zinc/63/02/29/1181630229.db2.gz PXIQSFXQTDJMFT-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001724250195 1181658200 /nfs/dbraw/zinc/65/82/00/1181658200.db2.gz NDBLWYKYFHTGPI-GDBMZVCRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001724589130 1181699723 /nfs/dbraw/zinc/69/97/23/1181699723.db2.gz YHXBIRUKXLPPLK-UONOGXRCSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001724891442 1181787745 /nfs/dbraw/zinc/78/77/45/1181787745.db2.gz QVCHJYPNVMRPGG-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001724939968 1181801626 /nfs/dbraw/zinc/80/16/26/1181801626.db2.gz CWAUBCOCCLEVJE-KBPBESRZSA-N 2 1 281.444 1.587 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001725111615 1181867632 /nfs/dbraw/zinc/86/76/32/1181867632.db2.gz UMTBRZIGDMUEQR-KBPBESRZSA-N 2 1 290.411 1.513 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001725371916 1181978471 /nfs/dbraw/zinc/97/84/71/1181978471.db2.gz JNCFFDLPGXYJGX-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725406915 1181991535 /nfs/dbraw/zinc/99/15/35/1181991535.db2.gz FHEFFIYARNGMNC-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001725517567 1182032030 /nfs/dbraw/zinc/03/20/30/1182032030.db2.gz HJIQRLOESNGOMF-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001731333332 1182325237 /nfs/dbraw/zinc/32/52/37/1182325237.db2.gz JXEAWDZSYCAAPR-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001731333332 1182325243 /nfs/dbraw/zinc/32/52/43/1182325243.db2.gz JXEAWDZSYCAAPR-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001731333332 1182325248 /nfs/dbraw/zinc/32/52/48/1182325248.db2.gz JXEAWDZSYCAAPR-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)Cc1cnc[nH]1)C1CC1 ZINC001731340905 1182328454 /nfs/dbraw/zinc/32/84/54/1182328454.db2.gz NYVBAMKMPABXKJ-UHFFFAOYSA-N 2 1 276.384 1.499 10 30 CDEEMP C=C(C)C[N@@H+](CCCNC(=O)Cc1cnc[nH]1)C1CC1 ZINC001731340905 1182328457 /nfs/dbraw/zinc/32/84/57/1182328457.db2.gz NYVBAMKMPABXKJ-UHFFFAOYSA-N 2 1 276.384 1.499 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001731532208 1182437055 /nfs/dbraw/zinc/43/70/55/1182437055.db2.gz VMSZREXEAYXBHR-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001731597055 1182471254 /nfs/dbraw/zinc/47/12/54/1182471254.db2.gz KIWOOZDHRFDYDC-LBPRGKRZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001731720699 1182530988 /nfs/dbraw/zinc/53/09/88/1182530988.db2.gz SXINFQBWQOPWNS-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001731720699 1182530994 /nfs/dbraw/zinc/53/09/94/1182530994.db2.gz SXINFQBWQOPWNS-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001731720699 1182530996 /nfs/dbraw/zinc/53/09/96/1182530996.db2.gz SXINFQBWQOPWNS-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731867718 1182638041 /nfs/dbraw/zinc/63/80/41/1182638041.db2.gz VSUHBSQUCPPPRL-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001731867718 1182638046 /nfs/dbraw/zinc/63/80/46/1182638046.db2.gz VSUHBSQUCPPPRL-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001731867718 1182638050 /nfs/dbraw/zinc/63/80/50/1182638050.db2.gz VSUHBSQUCPPPRL-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001732574331 1183016884 /nfs/dbraw/zinc/01/68/84/1183016884.db2.gz VYXBNFRNUURGHV-CQSZACIVSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732598165 1183040074 /nfs/dbraw/zinc/04/00/74/1183040074.db2.gz JAFMHSFXIFZAQF-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001732598165 1183040067 /nfs/dbraw/zinc/04/00/67/1183040067.db2.gz JAFMHSFXIFZAQF-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732598165 1183040070 /nfs/dbraw/zinc/04/00/70/1183040070.db2.gz JAFMHSFXIFZAQF-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001732913658 1183182204 /nfs/dbraw/zinc/18/22/04/1183182204.db2.gz PBEYYHDOPLKMQS-WAYWQWQTSA-N 2 1 276.384 1.455 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732956562 1183203566 /nfs/dbraw/zinc/20/35/66/1183203566.db2.gz JPTZRZAGAGBGDY-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001733255394 1183373028 /nfs/dbraw/zinc/37/30/28/1183373028.db2.gz BHNYBDDVQLCYKH-INIZCTEOSA-N 2 1 295.402 1.071 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001733578721 1183470916 /nfs/dbraw/zinc/47/09/16/1183470916.db2.gz HVCKZGPUKZWVKY-IYBDPMFKSA-N 2 1 291.439 1.439 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001733771398 1183527567 /nfs/dbraw/zinc/52/75/67/1183527567.db2.gz AOFPSCOQQGRCRW-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001733771398 1183527568 /nfs/dbraw/zinc/52/75/68/1183527568.db2.gz AOFPSCOQQGRCRW-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001733771398 1183527570 /nfs/dbraw/zinc/52/75/70/1183527570.db2.gz AOFPSCOQQGRCRW-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001733771398 1183527572 /nfs/dbraw/zinc/52/75/72/1183527572.db2.gz AOFPSCOQQGRCRW-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C[C@H](C)n1ccnc1 ZINC001733778827 1183530516 /nfs/dbraw/zinc/53/05/16/1183530516.db2.gz NRFIEZDLWBVJOF-AWEZNQCLSA-N 2 1 276.384 1.248 10 30 CDEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001734602885 1183842326 /nfs/dbraw/zinc/84/23/26/1183842326.db2.gz SMEOIYDVUPXHDN-WLYUNCDWSA-N 2 1 279.428 1.483 10 30 CDEEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868200 843882735 /nfs/dbraw/zinc/88/27/35/843882735.db2.gz PSOXXRCVUPAHPG-INIZCTEOSA-N 2 1 291.439 1.084 10 30 CDEEMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852862079 844717802 /nfs/dbraw/zinc/71/78/02/844717802.db2.gz RXVBRCVIOXIRPA-LSDHHAIUSA-N 2 1 291.439 1.226 10 30 CDEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCCCC1 ZINC000104168201 846202099 /nfs/dbraw/zinc/20/20/99/846202099.db2.gz AKIAJAONGKWVGR-CYBMUJFWSA-N 2 1 252.406 1.661 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000876883592 846395421 /nfs/dbraw/zinc/39/54/21/846395421.db2.gz KMLCAGPETVAWLJ-RDBSUJKOSA-N 2 1 299.846 1.930 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001566600925 1168352147 /nfs/dbraw/zinc/35/21/47/1168352147.db2.gz QXNITEKXTBUNDQ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001566600925 1168352155 /nfs/dbraw/zinc/35/21/55/1168352155.db2.gz QXNITEKXTBUNDQ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567097302 1168560555 /nfs/dbraw/zinc/56/05/55/1168560555.db2.gz YLFUVKYZQHSSPF-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266544527 895298656 /nfs/dbraw/zinc/29/86/56/895298656.db2.gz CMKKRHSKIKYYJO-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266544527 895298650 /nfs/dbraw/zinc/29/86/50/895298650.db2.gz CMKKRHSKIKYYJO-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266544527 895298661 /nfs/dbraw/zinc/29/86/61/895298661.db2.gz CMKKRHSKIKYYJO-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266560752 895362761 /nfs/dbraw/zinc/36/27/61/895362761.db2.gz VKGYXPCLAYDQFP-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266560752 895362773 /nfs/dbraw/zinc/36/27/73/895362773.db2.gz VKGYXPCLAYDQFP-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266560752 895362784 /nfs/dbraw/zinc/36/27/84/895362784.db2.gz VKGYXPCLAYDQFP-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266571487 895404440 /nfs/dbraw/zinc/40/44/40/895404440.db2.gz VQKGKDZFHDWHKB-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001496114909 896267161 /nfs/dbraw/zinc/26/71/61/896267161.db2.gz AFHBDTUTSYBUAK-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)C1CC1 ZINC001267333752 897624985 /nfs/dbraw/zinc/62/49/85/897624985.db2.gz LWLJBIWGEGHDLG-LBPRGKRZSA-N 2 1 276.384 1.355 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CC1 ZINC001267333752 897624997 /nfs/dbraw/zinc/62/49/97/897624997.db2.gz LWLJBIWGEGHDLG-LBPRGKRZSA-N 2 1 276.384 1.355 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CC1 ZINC001267333752 897625004 /nfs/dbraw/zinc/62/50/04/897625004.db2.gz LWLJBIWGEGHDLG-LBPRGKRZSA-N 2 1 276.384 1.355 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486205 898137264 /nfs/dbraw/zinc/13/72/64/898137264.db2.gz ZEPFNULZICVBKG-IIAWOOMASA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001481041598 898661331 /nfs/dbraw/zinc/66/13/31/898661331.db2.gz IJYDJCVANPEWFF-LSDHHAIUSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001481112767 898883344 /nfs/dbraw/zinc/88/33/44/898883344.db2.gz RZWDBDNNGGYATK-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001481112767 898883354 /nfs/dbraw/zinc/88/33/54/898883354.db2.gz RZWDBDNNGGYATK-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001481112767 898883362 /nfs/dbraw/zinc/88/33/62/898883362.db2.gz RZWDBDNNGGYATK-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001481682826 901786231 /nfs/dbraw/zinc/78/62/31/901786231.db2.gz LKHWGLVWYMRDCM-JYJNAYRXSA-N 2 1 291.439 1.722 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481753721 902017647 /nfs/dbraw/zinc/01/76/47/902017647.db2.gz XQFLJINXRMIMPP-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482134802 902692633 /nfs/dbraw/zinc/69/26/33/902692633.db2.gz FAOCHTBNVKLJNZ-ILXRZTDVSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001269691102 904040935 /nfs/dbraw/zinc/04/09/35/904040935.db2.gz AZFQEBHNWILYTA-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001269751509 904084835 /nfs/dbraw/zinc/08/48/35/904084835.db2.gz KGYSJXVFGWFTKC-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001269812705 904129722 /nfs/dbraw/zinc/12/97/22/904129722.db2.gz PVKRBXGDHFOUBC-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269812705 904129732 /nfs/dbraw/zinc/12/97/32/904129732.db2.gz PVKRBXGDHFOUBC-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001482342145 905127469 /nfs/dbraw/zinc/12/74/69/905127469.db2.gz ITJOTERYSAIMEK-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001271567685 906523446 /nfs/dbraw/zinc/52/34/46/906523446.db2.gz ZXYSTMPQEGTNPO-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001482543437 906977677 /nfs/dbraw/zinc/97/76/77/906977677.db2.gz IQOMINCRTPGYRE-AWEZNQCLSA-N 2 1 278.400 1.498 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C(C)C ZINC001483097047 909333339 /nfs/dbraw/zinc/33/33/39/909333339.db2.gz HZJHDNPDZQMSFP-AATRIKPKSA-N 2 1 273.808 1.341 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483368331 910995653 /nfs/dbraw/zinc/99/56/53/910995653.db2.gz PJQWIBOREQZPBS-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)CCc2cnc[nH]2)C1 ZINC001484096196 915432199 /nfs/dbraw/zinc/43/21/99/915432199.db2.gz JPKUGCCAFABRRA-MRXNPFEDSA-N 2 1 288.395 1.194 10 30 CDEEMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484511995 915835667 /nfs/dbraw/zinc/83/56/67/915835667.db2.gz NMEKKJSRJXBKSQ-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001484565183 915887362 /nfs/dbraw/zinc/88/73/62/915887362.db2.gz OJTCVPBPTVTYOL-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001485428111 916975066 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CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001568451888 1169295375 /nfs/dbraw/zinc/29/53/75/1169295375.db2.gz YSZKRGNECNJDEX-HRCADAONSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001490240877 927046849 /nfs/dbraw/zinc/04/68/49/927046849.db2.gz AVTPOYZCEDHGOZ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490240877 927046859 /nfs/dbraw/zinc/04/68/59/927046859.db2.gz AVTPOYZCEDHGOZ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001490240877 927046870 /nfs/dbraw/zinc/04/68/70/927046870.db2.gz AVTPOYZCEDHGOZ-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001319587830 931232530 /nfs/dbraw/zinc/23/25/30/931232530.db2.gz BCQTXFFHRYYDCF-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001319587830 931232539 /nfs/dbraw/zinc/23/25/39/931232539.db2.gz BCQTXFFHRYYDCF-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001275649629 931927597 /nfs/dbraw/zinc/92/75/97/931927597.db2.gz XFRVBHPYSBKVQU-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275649629 931927604 /nfs/dbraw/zinc/92/76/04/931927604.db2.gz XFRVBHPYSBKVQU-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275649629 931927609 /nfs/dbraw/zinc/92/76/09/931927609.db2.gz XFRVBHPYSBKVQU-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC=C)C1CC1 ZINC001276602551 940409604 /nfs/dbraw/zinc/40/96/04/940409604.db2.gz AMONQYCBNHXELZ-HOTGVXAUSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC=C)C1CC1 ZINC001276602551 940409607 /nfs/dbraw/zinc/40/96/07/940409607.db2.gz AMONQYCBNHXELZ-HOTGVXAUSA-N 2 1 289.423 1.145 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001277019842 941823632 /nfs/dbraw/zinc/82/36/32/941823632.db2.gz HCGMMVDWLWZFSP-CYBMUJFWSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001277176925 942120450 /nfs/dbraw/zinc/12/04/50/942120450.db2.gz FAGYFHSUQKKDCN-UHFFFAOYSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001282495836 942723506 /nfs/dbraw/zinc/72/35/06/942723506.db2.gz VZSJNEYMCVPFEO-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001283239813 942864047 /nfs/dbraw/zinc/86/40/47/942864047.db2.gz PGUSOVCSHIGMCV-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001265043340 944212818 /nfs/dbraw/zinc/21/28/18/944212818.db2.gz JFHDTFKWDVBROY-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001265043340 944212824 /nfs/dbraw/zinc/21/28/24/944212824.db2.gz 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ZINC001265674049 944465546 /nfs/dbraw/zinc/46/55/46/944465546.db2.gz QMMANGADUYIVNM-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706741 944475908 /nfs/dbraw/zinc/47/59/08/944475908.db2.gz YXTQHERVLWIUQB-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001265793787 944511383 /nfs/dbraw/zinc/51/13/83/944511383.db2.gz AMLVVKGULZEMFF-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001279022631 948610476 /nfs/dbraw/zinc/61/04/76/948610476.db2.gz XAUMWRKOSFASOI-LSDHHAIUSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278573121 950217098 /nfs/dbraw/zinc/21/70/98/950217098.db2.gz WEMLGCGUYBNXRC-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001480679604 971835385 /nfs/dbraw/zinc/83/53/85/971835385.db2.gz PLFYYIYTRKZQQB-HUUCEWRRSA-N 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C=CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569308330 1169757501 /nfs/dbraw/zinc/75/75/01/1169757501.db2.gz ZMKAPIQOZUBVMT-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321120044 959604509 /nfs/dbraw/zinc/60/45/09/959604509.db2.gz DLHPJNBSTRFNOS-NFAHFFEMSA-N 2 1 279.428 1.699 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001321417277 959775185 /nfs/dbraw/zinc/77/51/85/959775185.db2.gz QFLRSNOVTXJRNE-JRIJJQDJSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC(=C)C ZINC001322176606 960123860 /nfs/dbraw/zinc/12/38/60/960123860.db2.gz QBHYBLXFNFQPRH-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC(=C)C ZINC001322176606 960123863 /nfs/dbraw/zinc/12/38/63/960123863.db2.gz QBHYBLXFNFQPRH-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(=C)C ZINC001322176606 960123868 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CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001441865408 964755588 /nfs/dbraw/zinc/75/55/88/964755588.db2.gz OGXIXHYFSIBWJQ-CHWSQXEVSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354201229 968532657 /nfs/dbraw/zinc/53/26/57/968532657.db2.gz HCJJADYTRZGOJV-APIJFGDWSA-N 2 1 297.443 1.284 10 30 CDEEMP C=CCCC[C@@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354201229 968532660 /nfs/dbraw/zinc/53/26/60/968532660.db2.gz HCJJADYTRZGOJV-APIJFGDWSA-N 2 1 297.443 1.284 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001371565162 972542971 /nfs/dbraw/zinc/54/29/71/972542971.db2.gz HJNLUDZPPUPMJN-ZDUSSCGKSA-N 2 1 296.802 1.382 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001495930034 972705329 /nfs/dbraw/zinc/70/53/29/972705329.db2.gz XZHWWEMVPXXHKH-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001496770233 973087316 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CDEEMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@@H]1C ZINC001502747403 974775209 /nfs/dbraw/zinc/77/52/09/974775209.db2.gz BNDLTOKJRZZJSX-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001505434236 974876809 /nfs/dbraw/zinc/87/68/09/974876809.db2.gz NHOBAUUEKXTDNZ-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001505434236 974876812 /nfs/dbraw/zinc/87/68/12/974876812.db2.gz NHOBAUUEKXTDNZ-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001506580672 975182301 /nfs/dbraw/zinc/18/23/01/975182301.db2.gz UNRZRVWOFUPYPZ-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001506748983 975215871 /nfs/dbraw/zinc/21/58/71/975215871.db2.gz CDZDEOGQLALJHG-QWHCGFSZSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507904168 975562339 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C#CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001675343757 1174104514 /nfs/dbraw/zinc/10/45/14/1174104514.db2.gz UZFGPJZBGSEMAU-CQSZACIVSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570198973 1170110479 /nfs/dbraw/zinc/11/04/79/1170110479.db2.gz SNTGDYJULBLZBB-AWEZNQCLSA-N 2 1 269.433 1.539 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001570384481 1170147737 /nfs/dbraw/zinc/14/77/37/1170147737.db2.gz MAXMOBATPFGBOS-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001570751392 1170271828 /nfs/dbraw/zinc/27/18/28/1170271828.db2.gz IETKMUFMARELJX-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001570751392 1170271830 /nfs/dbraw/zinc/27/18/30/1170271830.db2.gz IETKMUFMARELJX-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001570751392 1170271835 /nfs/dbraw/zinc/27/18/35/1170271835.db2.gz IETKMUFMARELJX-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001570751392 1170271839 /nfs/dbraw/zinc/27/18/39/1170271839.db2.gz IETKMUFMARELJX-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001571632971 1170502902 /nfs/dbraw/zinc/50/29/02/1170502902.db2.gz GABIQYJLZWBJHZ-CABCVRRESA-N 2 1 293.455 1.472 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001656106062 1171768689 /nfs/dbraw/zinc/76/86/89/1171768689.db2.gz RFGRQPFSHMKHED-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001656677961 1171859646 /nfs/dbraw/zinc/85/96/46/1171859646.db2.gz NPYZRJSHDMONOO-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP COc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1C#N ZINC000087833399 361799266 /nfs/dbraw/zinc/79/92/66/361799266.db2.gz NKXLEUYXENWBTJ-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1C#N ZINC000087833399 361799280 /nfs/dbraw/zinc/79/92/80/361799280.db2.gz NKXLEUYXENWBTJ-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1C#N ZINC000087833399 361799284 /nfs/dbraw/zinc/79/92/84/361799284.db2.gz NKXLEUYXENWBTJ-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(C)(C)C#N)CCO2 ZINC000592184723 342679834 /nfs/dbraw/zinc/67/98/34/342679834.db2.gz NRNMTRQDBSBRTJ-UHFFFAOYSA-N 2 1 265.401 1.723 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000592346099 342686098 /nfs/dbraw/zinc/68/60/98/342686098.db2.gz PKRJKIRKZNXQRH-OAHLLOKOSA-N 2 1 294.443 1.420 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)CC1 ZINC000594919951 342986903 /nfs/dbraw/zinc/98/69/03/342986903.db2.gz KSVUQJAUTRUUGG-BPLDGKMQSA-N 2 1 280.412 1.814 10 30 CDEEMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(C)(C)C#N)CCO1 ZINC000595905660 343188595 /nfs/dbraw/zinc/18/85/95/343188595.db2.gz FJAWUADXLFIVBO-AWEZNQCLSA-N 2 1 267.417 1.969 10 30 CDEEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(C)(C)C#N)CCO1 ZINC000595905660 343188597 /nfs/dbraw/zinc/18/85/97/343188597.db2.gz FJAWUADXLFIVBO-AWEZNQCLSA-N 2 1 267.417 1.969 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cncc(C#N)n1 ZINC000596361875 343310634 /nfs/dbraw/zinc/31/06/34/343310634.db2.gz KSZHACJGUHOESF-LBPRGKRZSA-N 2 1 276.388 1.032 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cncc(C#N)n1 ZINC000596361875 343310637 /nfs/dbraw/zinc/31/06/37/343310637.db2.gz KSZHACJGUHOESF-LBPRGKRZSA-N 2 1 276.388 1.032 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1cc(C#N)ccn1 ZINC000596425885 343312141 /nfs/dbraw/zinc/31/21/41/343312141.db2.gz YARVGQDRGKPLAO-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(C#N)ccn1 ZINC000596425885 343312143 /nfs/dbraw/zinc/31/21/43/343312143.db2.gz YARVGQDRGKPLAO-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)nn1 ZINC000639755449 364759160 /nfs/dbraw/zinc/75/91/60/364759160.db2.gz LLYMOYSLIJVUJA-UHFFFAOYSA-N 2 1 289.427 1.772 10 30 CDEEMP C=CCCn1cc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)nn1 ZINC000639755449 364759169 /nfs/dbraw/zinc/75/91/69/364759169.db2.gz LLYMOYSLIJVUJA-UHFFFAOYSA-N 2 1 289.427 1.772 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001661212379 1172357413 /nfs/dbraw/zinc/35/74/13/1172357413.db2.gz DRYHIBNTSULTGP-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001661212379 1172357423 /nfs/dbraw/zinc/35/74/23/1172357423.db2.gz DRYHIBNTSULTGP-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001661212379 1172357429 /nfs/dbraw/zinc/35/74/29/1172357429.db2.gz DRYHIBNTSULTGP-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001661554592 1172405418 /nfs/dbraw/zinc/40/54/18/1172405418.db2.gz DAVSPIBIVSQAEW-CVEARBPZSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554592 1172405426 /nfs/dbraw/zinc/40/54/26/1172405426.db2.gz DAVSPIBIVSQAEW-CVEARBPZSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554592 1172405430 /nfs/dbraw/zinc/40/54/30/1172405430.db2.gz DAVSPIBIVSQAEW-CVEARBPZSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001661832935 1172451802 /nfs/dbraw/zinc/45/18/02/1172451802.db2.gz RXNOQWHXUOBNCV-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662686018 1172580784 /nfs/dbraw/zinc/58/07/84/1172580784.db2.gz UWNBAZGSCSNFPA-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001663722056 1172753782 /nfs/dbraw/zinc/75/37/82/1172753782.db2.gz BQFVTNVVVLZUHT-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001663722056 1172753790 /nfs/dbraw/zinc/75/37/90/1172753790.db2.gz BQFVTNVVVLZUHT-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001663722056 1172753794 /nfs/dbraw/zinc/75/37/94/1172753794.db2.gz BQFVTNVVVLZUHT-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685227 397897558 /nfs/dbraw/zinc/89/75/58/397897558.db2.gz SQTMTIKBVLGXSK-UHFFFAOYSA-N 2 1 267.417 1.439 10 30 CDEEMP C=CCCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685227 397897561 /nfs/dbraw/zinc/89/75/61/397897561.db2.gz SQTMTIKBVLGXSK-UHFFFAOYSA-N 2 1 267.417 1.439 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000662681537 413303945 /nfs/dbraw/zinc/30/39/45/413303945.db2.gz HIXHWKGFTOKGCI-HIFRSBDPSA-N 2 1 265.401 1.143 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664849628 1172921026 /nfs/dbraw/zinc/92/10/26/1172921026.db2.gz SRXAGPLVLRYCRO-CABCVRRESA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[C@]1(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662743907 413417685 /nfs/dbraw/zinc/41/76/85/413417685.db2.gz APTMYGDDHVWUEC-IJEWVQPXSA-N 2 1 279.428 1.626 10 30 CDEEMP C[C@@H]1C[N@@H+](Cc2cc(C#CC[NH3+])cs2)C[C@H](C)O1 ZINC000043688797 175095954 /nfs/dbraw/zinc/09/59/54/175095954.db2.gz AMMWMKQKPPCYHA-TXEJJXNPSA-N 2 1 264.394 1.668 10 30 CDEEMP C[C@@H]1C[N@H+](Cc2cc(C#CC[NH3+])cs2)C[C@H](C)O1 ZINC000043688797 175095957 /nfs/dbraw/zinc/09/59/57/175095957.db2.gz AMMWMKQKPPCYHA-TXEJJXNPSA-N 2 1 264.394 1.668 10 30 CDEEMP C[N@@H+](Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190508 176066883 /nfs/dbraw/zinc/06/68/83/176066883.db2.gz OYHVQFKAUVMOIQ-OAHLLOKOSA-N 2 1 290.382 1.553 10 30 CDEEMP C[N@H+](Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190508 176066884 /nfs/dbraw/zinc/06/68/84/176066884.db2.gz OYHVQFKAUVMOIQ-OAHLLOKOSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190508 176066885 /nfs/dbraw/zinc/06/68/85/176066885.db2.gz OYHVQFKAUVMOIQ-OAHLLOKOSA-N 2 1 290.382 1.553 10 30 CDEEMP C[NH+](Cc1ccc(F)c(C#CCO)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190508 176066886 /nfs/dbraw/zinc/06/68/86/176066886.db2.gz OYHVQFKAUVMOIQ-OAHLLOKOSA-N 2 1 290.382 1.553 10 30 CDEEMP CCCN[C@@H](C#N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190728 176068974 /nfs/dbraw/zinc/06/89/74/176068974.db2.gz YLYNVWBFZHZVOO-ZIAGYGMSSA-N 2 1 252.406 1.152 10 30 CDEEMP CCCN[C@@H](C#N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190728 176068975 /nfs/dbraw/zinc/06/89/75/176068975.db2.gz YLYNVWBFZHZVOO-ZIAGYGMSSA-N 2 1 252.406 1.152 10 30 CDEEMP CCCN[C@@H](C#N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190728 176068976 /nfs/dbraw/zinc/06/89/76/176068976.db2.gz YLYNVWBFZHZVOO-ZIAGYGMSSA-N 2 1 252.406 1.152 10 30 CDEEMP CCCN[C@@H](C#N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190728 176068979 /nfs/dbraw/zinc/06/89/79/176068979.db2.gz YLYNVWBFZHZVOO-ZIAGYGMSSA-N 2 1 252.406 1.152 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855266 424530567 /nfs/dbraw/zinc/53/05/67/424530567.db2.gz WCKAWTUAKUYEIC-CZUORRHYSA-N 2 1 279.428 1.674 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001668178982 1173378965 /nfs/dbraw/zinc/37/89/65/1173378965.db2.gz PXKJEQFBWYMDJW-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669140225 1173508723 /nfs/dbraw/zinc/50/87/23/1173508723.db2.gz XAFGUZQBSOQUFY-MBVDDHJVSA-N 2 1 279.428 1.556 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001671436945 1173680762 /nfs/dbraw/zinc/68/07/62/1173680762.db2.gz HAGWKZSRRKYGSP-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001670784725 1159793721 /nfs/dbraw/zinc/79/37/21/1159793721.db2.gz ODKOPCXUVAITQO-CHWSQXEVSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268392512 1159923922 /nfs/dbraw/zinc/92/39/22/1159923922.db2.gz GTLBQEGOJVMVRS-RDBSUJKOSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478433 482680236 /nfs/dbraw/zinc/68/02/36/482680236.db2.gz YHWITXORPWGOHY-IXDOHACOSA-N 2 1 295.471 1.414 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478433 482680240 /nfs/dbraw/zinc/68/02/40/482680240.db2.gz YHWITXORPWGOHY-IXDOHACOSA-N 2 1 295.471 1.414 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483676710 1161055454 /nfs/dbraw/zinc/05/54/54/1161055454.db2.gz POKBOKCZAGAXLS-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649166 1161316650 /nfs/dbraw/zinc/31/66/50/1161316650.db2.gz HEPOVDMNGDYMRZ-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713310457 1178488325 /nfs/dbraw/zinc/48/83/25/1178488325.db2.gz VAWXONWIJMJZDS-KBPBESRZSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CC ZINC001713913434 1178837332 /nfs/dbraw/zinc/83/73/32/1178837332.db2.gz XZWQQDRVCKHCNU-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001713913434 1178837342 /nfs/dbraw/zinc/83/73/42/1178837342.db2.gz XZWQQDRVCKHCNU-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001713913434 1178837352 /nfs/dbraw/zinc/83/73/52/1178837352.db2.gz XZWQQDRVCKHCNU-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001713913434 1178837362 /nfs/dbraw/zinc/83/73/62/1178837362.db2.gz XZWQQDRVCKHCNU-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001714571720 1179225694 /nfs/dbraw/zinc/22/56/94/1179225694.db2.gz GWCHTAKINAHVLJ-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001715029338 1179517278 /nfs/dbraw/zinc/51/72/78/1179517278.db2.gz DOUWBEWMGQPWSL-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001715029338 1179517281 /nfs/dbraw/zinc/51/72/81/1179517281.db2.gz DOUWBEWMGQPWSL-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716479118 1180243417 /nfs/dbraw/zinc/24/34/17/1180243417.db2.gz ZCUBTXXURPNHAH-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716479118 1180243421 /nfs/dbraw/zinc/24/34/21/1180243421.db2.gz ZCUBTXXURPNHAH-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716479118 1180243425 /nfs/dbraw/zinc/24/34/25/1180243425.db2.gz ZCUBTXXURPNHAH-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000113222223 526922966 /nfs/dbraw/zinc/92/29/66/526922966.db2.gz ZQUWUDVFMVALHV-GDBMZVCRSA-N 2 1 289.423 1.027 10 30 CDEEMP [NH3+]CC#Cc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1 ZINC000049608333 527151249 /nfs/dbraw/zinc/15/12/49/527151249.db2.gz FSWGNDNKYYOMMF-MRXNPFEDSA-N 2 1 258.365 1.201 10 30 CDEEMP Cc1[nH+]ccn1CCOc1ccc(C)cc1C#CC[NH3+] ZINC000049331330 527433249 /nfs/dbraw/zinc/43/32/49/527433249.db2.gz UMQRWHYEEWYMKR-UHFFFAOYSA-N 2 1 269.348 1.889 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001698557848 1174846253 /nfs/dbraw/zinc/84/62/53/1174846253.db2.gz ODJREDAMVLBKSZ-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698557848 1174846260 /nfs/dbraw/zinc/84/62/60/1174846260.db2.gz ODJREDAMVLBKSZ-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698557848 1174846265 /nfs/dbraw/zinc/84/62/65/1174846265.db2.gz ODJREDAMVLBKSZ-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940617286 613536612 /nfs/dbraw/zinc/53/66/12/613536612.db2.gz IFPPBUKEQKKOAP-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940617286 613536613 /nfs/dbraw/zinc/53/66/13/613536613.db2.gz IFPPBUKEQKKOAP-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940617286 613536615 /nfs/dbraw/zinc/53/66/15/613536615.db2.gz IFPPBUKEQKKOAP-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@@H+]2C[C@@H]1CCC2 ZINC000926341182 617447634 /nfs/dbraw/zinc/44/76/34/617447634.db2.gz CJMKNRJVYHPQPV-AJNGGQMLSA-N 2 1 250.386 1.651 10 30 CDEEMP C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1C[N@H+]2C[C@@H]1CCC2 ZINC000926341182 617447636 /nfs/dbraw/zinc/44/76/36/617447636.db2.gz CJMKNRJVYHPQPV-AJNGGQMLSA-N 2 1 250.386 1.651 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000900204730 622801091 /nfs/dbraw/zinc/80/10/91/622801091.db2.gz OADYZRXSLBZICV-ZFWWWQNUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000901151745 623911471 /nfs/dbraw/zinc/91/14/71/623911471.db2.gz JVTGRWLPCHQDJH-MRXNPFEDSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000907449282 627678055 /nfs/dbraw/zinc/67/80/55/627678055.db2.gz VUTUQSGDXWFANS-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000908287326 628114494 /nfs/dbraw/zinc/11/44/94/628114494.db2.gz IXLUDXAANSAPSO-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001670596527 1158654552 /nfs/dbraw/zinc/65/45/52/1158654552.db2.gz WLQKTBQOGCVFRK-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001691052511 1158841716 /nfs/dbraw/zinc/84/17/16/1158841716.db2.gz SGLVBPDAGVAXGO-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001691052511 1158841730 /nfs/dbraw/zinc/84/17/30/1158841730.db2.gz SGLVBPDAGVAXGO-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691052511 1158841741 /nfs/dbraw/zinc/84/17/41/1158841741.db2.gz SGLVBPDAGVAXGO-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC=C)C1CC1 ZINC001267327654 1159267554 /nfs/dbraw/zinc/26/75/54/1159267554.db2.gz VNZAYWLGOVSDAP-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC=C)C1CC1 ZINC001267327654 1159267557 /nfs/dbraw/zinc/26/75/57/1159267557.db2.gz VNZAYWLGOVSDAP-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC=C)C1CC1 ZINC001267327654 1159267561 /nfs/dbraw/zinc/26/75/61/1159267561.db2.gz VNZAYWLGOVSDAP-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC=C)C1CC1 ZINC001267327654 1159267565 /nfs/dbraw/zinc/26/75/65/1159267565.db2.gz VNZAYWLGOVSDAP-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731952266 1159408060 /nfs/dbraw/zinc/40/80/60/1159408060.db2.gz LIFFXIQCGFMWSJ-NSHDSACASA-N 2 1 273.808 1.129 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001732738503 1160197310 /nfs/dbraw/zinc/19/73/10/1160197310.db2.gz NTXOGZVHCDVGOW-ZDUSSCGKSA-N 2 1 276.384 1.089 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001272152042 1160661205 /nfs/dbraw/zinc/66/12/05/1160661205.db2.gz NBXFEVQVAIKNLW-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001272152042 1160661208 /nfs/dbraw/zinc/66/12/08/1160661208.db2.gz NBXFEVQVAIKNLW-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649166 1161316646 /nfs/dbraw/zinc/31/66/46/1161316646.db2.gz HEPOVDMNGDYMRZ-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCNC(=O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156692 1165388289 /nfs/dbraw/zinc/38/82/89/1165388289.db2.gz CJHUCFZRRIOULS-HOCLYGCPSA-N 2 1 293.455 1.908 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001565864402 1168190229 /nfs/dbraw/zinc/19/02/29/1168190229.db2.gz RLTXTODIPPKHKT-BZUAXINKSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001570107789 1170082715 /nfs/dbraw/zinc/08/27/15/1170082715.db2.gz BNZIJHLSVJTFHK-HNNXBMFYSA-N 2 1 289.423 1.123 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC2)CCC1 ZINC001570107789 1170082722 /nfs/dbraw/zinc/08/27/22/1170082722.db2.gz BNZIJHLSVJTFHK-HNNXBMFYSA-N 2 1 289.423 1.123 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001570897004 1170314493 /nfs/dbraw/zinc/31/44/93/1170314493.db2.gz LXMYYUPKNALLSS-CQSZACIVSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001571417433 1170420363 /nfs/dbraw/zinc/42/03/63/1170420363.db2.gz CXNYXVKYDOSTLY-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001571417433 1170420369 /nfs/dbraw/zinc/42/03/69/1170420369.db2.gz CXNYXVKYDOSTLY-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662716822 1172585349 /nfs/dbraw/zinc/58/53/49/1172585349.db2.gz DAYYWKUHUFVATI-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001663210233 1172655138 /nfs/dbraw/zinc/65/51/38/1172655138.db2.gz ZLDUWPSLTFDIMT-UHFFFAOYSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001666000338 1173099606 /nfs/dbraw/zinc/09/96/06/1173099606.db2.gz NUMOKEJPFBIWSX-WBVHZDCISA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001674353512 1173936307 /nfs/dbraw/zinc/93/63/07/1173936307.db2.gz ORIQQFASSJIBJM-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001674353512 1173936316 /nfs/dbraw/zinc/93/63/16/1173936316.db2.gz ORIQQFASSJIBJM-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001674353512 1173936328 /nfs/dbraw/zinc/93/63/28/1173936328.db2.gz ORIQQFASSJIBJM-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)c1c[nH]cn1 ZINC001690484396 1175479635 /nfs/dbraw/zinc/47/96/35/1175479635.db2.gz RVYKUUADMLRWCE-ZDUSSCGKSA-N 2 1 288.395 1.291 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001698798172 1175938443 /nfs/dbraw/zinc/93/84/43/1175938443.db2.gz ZBDCAJJOOJRCFU-UHFFFAOYSA-N 2 1 279.428 1.675 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698919616 1175984469 /nfs/dbraw/zinc/98/44/69/1175984469.db2.gz CSRYLXKHJPHMEW-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001699023941 1176047384 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291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001700282051 1176831630 /nfs/dbraw/zinc/83/16/30/1176831630.db2.gz LCMCAOUEJXTJLT-UHFFFAOYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001700362275 1176874697 /nfs/dbraw/zinc/87/46/97/1176874697.db2.gz ALBVTLASDVUUBX-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001700531693 1177000405 /nfs/dbraw/zinc/00/04/05/1177000405.db2.gz OYWXRVQHZJZHSU-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001700752694 1177114432 /nfs/dbraw/zinc/11/44/32/1177114432.db2.gz PTAXOOOYIJUCJE-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086486 1178359072 /nfs/dbraw/zinc/35/90/72/1178359072.db2.gz RRACXMLGTXBBSK-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001713176661 1178414037 /nfs/dbraw/zinc/41/40/37/1178414037.db2.gz SYDISXLFEAXYTH-QAQDUYKDSA-N 2 1 299.418 1.379 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001713176661 1178414040 /nfs/dbraw/zinc/41/40/40/1178414040.db2.gz SYDISXLFEAXYTH-QAQDUYKDSA-N 2 1 299.418 1.379 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001713203469 1178429589 /nfs/dbraw/zinc/42/95/89/1178429589.db2.gz NMDCBHMSTFPLNO-OKILXGFUSA-N 2 1 276.384 1.395 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001713418253 1178548750 /nfs/dbraw/zinc/54/87/50/1178548750.db2.gz AYLRLCZQYNUCAS-CVEARBPZSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713924603 1178849830 /nfs/dbraw/zinc/84/98/30/1178849830.db2.gz KWDGAZKDKCDUGL-DZGCQCFKSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001713938286 1178864815 /nfs/dbraw/zinc/86/48/15/1178864815.db2.gz WHFZRTLKKCLIST-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001714539191 1179195976 /nfs/dbraw/zinc/19/59/76/1179195976.db2.gz GIRGESOZTNMZDM-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001714565158 1179220972 /nfs/dbraw/zinc/22/09/72/1179220972.db2.gz VILFJKDXHCFYLD-CYBMUJFWSA-N 2 1 278.400 1.603 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714614137 1179269073 /nfs/dbraw/zinc/26/90/73/1179269073.db2.gz IPCIIPSQLISWBF-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714614137 1179269081 /nfs/dbraw/zinc/26/90/81/1179269081.db2.gz IPCIIPSQLISWBF-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714614137 1179269089 /nfs/dbraw/zinc/26/90/89/1179269089.db2.gz IPCIIPSQLISWBF-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001714729270 1179362921 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C=C(C)C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001716399090 1180186784 /nfs/dbraw/zinc/18/67/84/1180186784.db2.gz VXEZLMBURROSBJ-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001716638608 1180317262 /nfs/dbraw/zinc/31/72/62/1180317262.db2.gz CHEUKFWJZGMQRE-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC)C1CCCC1 ZINC001716818629 1180424107 /nfs/dbraw/zinc/42/41/07/1180424107.db2.gz HBCHVDCWXKPAJE-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC)C1CCCC1 ZINC001716818629 1180424111 /nfs/dbraw/zinc/42/41/11/1180424111.db2.gz HBCHVDCWXKPAJE-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001716965222 1180484478 /nfs/dbraw/zinc/48/44/78/1180484478.db2.gz CXVQPARYHHGWOP-LSDHHAIUSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001717092943 1180529641 /nfs/dbraw/zinc/52/96/41/1180529641.db2.gz HIXZOHOUQDDERP-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001717125142 1180537904 /nfs/dbraw/zinc/53/79/04/1180537904.db2.gz GQZZKAOPRZYTTJ-WKILWMFISA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001717184015 1180564090 /nfs/dbraw/zinc/56/40/90/1180564090.db2.gz ULPSOARQVIBHGD-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001723825264 1181607577 /nfs/dbraw/zinc/60/75/77/1181607577.db2.gz FYMJPQIWWQVEDG-CQSZACIVSA-N 2 1 281.444 1.824 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001723857673 1181613229 /nfs/dbraw/zinc/61/32/29/1181613229.db2.gz MMXSTKCQTRBLQH-ZFWWWQNUSA-N 2 1 288.395 1.184 10 30 CDEEMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724188177 1181650046 /nfs/dbraw/zinc/65/00/46/1181650046.db2.gz HDTOOYPTZJUNCQ-QGZVFWFLSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001725068812 1181844386 /nfs/dbraw/zinc/84/43/86/1181844386.db2.gz LGXAMMGLXOJLQQ-HWOWSKLDSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001725728454 1182113772 /nfs/dbraw/zinc/11/37/72/1182113772.db2.gz QITGCDBJSDFNBZ-UHFFFAOYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001725728454 1182113778 /nfs/dbraw/zinc/11/37/78/1182113778.db2.gz QITGCDBJSDFNBZ-UHFFFAOYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001725728454 1182113781 /nfs/dbraw/zinc/11/37/81/1182113781.db2.gz QITGCDBJSDFNBZ-UHFFFAOYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001731489192 1182416043 /nfs/dbraw/zinc/41/60/43/1182416043.db2.gz GSEBTYJVOXAKET-OKILXGFUSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001731561148 1182448290 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30 CDEEMP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001732545829 1183003188 /nfs/dbraw/zinc/00/31/88/1183003188.db2.gz IEURNYGWGOHOKK-UKRRQHHQSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001732892562 1183173925 /nfs/dbraw/zinc/17/39/25/1183173925.db2.gz RGUUDQLQQRBYCW-KXLSMFKISA-N 2 1 279.428 1.555 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001733317112 1183395207 /nfs/dbraw/zinc/39/52/07/1183395207.db2.gz LBAPZNRQRZEZTR-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001733317112 1183395213 /nfs/dbraw/zinc/39/52/13/1183395213.db2.gz LBAPZNRQRZEZTR-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733935513 1183575663 /nfs/dbraw/zinc/57/56/63/1183575663.db2.gz IZXUPXFCSZIWLP-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001734060515 1183642574 /nfs/dbraw/zinc/64/25/74/1183642574.db2.gz VRGTVIIQUMASLA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001734060515 1183642576 /nfs/dbraw/zinc/64/25/76/1183642576.db2.gz VRGTVIIQUMASLA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001734060515 1183642578 /nfs/dbraw/zinc/64/25/78/1183642578.db2.gz VRGTVIIQUMASLA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001734094191 1183654982 /nfs/dbraw/zinc/65/49/82/1183654982.db2.gz GMBRBTOPHDUPOS-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001734204027 1183689833 /nfs/dbraw/zinc/68/98/33/1183689833.db2.gz MPQCYQDFRWLFLO-IHRRRGAJSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000876777289 697765526 /nfs/dbraw/zinc/76/55/26/697765526.db2.gz PKVRTUPQUUQQQE-OLZOCXBDSA-N 2 1 287.835 1.647 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCSC ZINC000304755778 697950188 /nfs/dbraw/zinc/95/01/88/697950188.db2.gz NBACPGFPXXKPPT-GFCCVEGCSA-N 2 1 272.462 1.518 10 30 CDEEMP C=CC[C@H](C(=O)OC)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000878198416 698219101 /nfs/dbraw/zinc/21/91/01/698219101.db2.gz VLHWMIVSHALJKA-MELADBBJSA-N 2 1 266.385 1.520 10 30 CDEEMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235039 698301434 /nfs/dbraw/zinc/30/14/34/698301434.db2.gz BTECFOZABCELLA-MRXNPFEDSA-N 2 1 291.439 1.513 10 30 CDEEMP C#CCNC(=O)CC[NH2+]C[C@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235039 698301438 /nfs/dbraw/zinc/30/14/38/698301438.db2.gz BTECFOZABCELLA-MRXNPFEDSA-N 2 1 291.439 1.513 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000103895659 698310978 /nfs/dbraw/zinc/31/09/78/698310978.db2.gz LWEFOYCOLKDFFL-ZDUSSCGKSA-N 2 1 284.448 1.451 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923505058 698326706 /nfs/dbraw/zinc/32/67/06/698326706.db2.gz XFDGAFXHXUVBLF-UONOGXRCSA-N 2 1 265.401 1.104 10 30 CDEEMP C[N@@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)c2ccccc2C1 ZINC000852866422 698835603 /nfs/dbraw/zinc/83/56/03/698835603.db2.gz WYZBRBLPDAYYIU-UHFFFAOYSA-N 2 1 297.402 1.468 10 30 CDEEMP C[N@H+]1CCN(C(=O)C#CC2CC[NH2+]CC2)c2ccccc2C1 ZINC000852866422 698835604 /nfs/dbraw/zinc/83/56/04/698835604.db2.gz WYZBRBLPDAYYIU-UHFFFAOYSA-N 2 1 297.402 1.468 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876726924 698934392 /nfs/dbraw/zinc/93/43/92/698934392.db2.gz BSMSUURITGOWSS-PWSUYJOCSA-N 2 1 271.792 1.057 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000876722707 704850723 /nfs/dbraw/zinc/85/07/23/704850723.db2.gz BXGWLJQNVGZUNC-NSHDSACASA-N 2 1 270.764 1.168 10 30 CDEEMP O=C(C#CC1CC[NH2+]CC1)N1CC[NH2+]Cc2ccccc21 ZINC000852796465 705075590 /nfs/dbraw/zinc/07/55/90/705075590.db2.gz TVMVVMNWODPFEC-UHFFFAOYSA-N 2 1 283.375 1.126 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)C1 ZINC001644637952 1167333366 /nfs/dbraw/zinc/33/33/66/1167333366.db2.gz FFODVGGFAVXFTH-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)C1 ZINC001644637952 1167333371 /nfs/dbraw/zinc/33/33/71/1167333371.db2.gz FFODVGGFAVXFTH-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001644637952 1167333377 /nfs/dbraw/zinc/33/33/77/1167333377.db2.gz FFODVGGFAVXFTH-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC001644637952 1167333382 /nfs/dbraw/zinc/33/33/82/1167333382.db2.gz FFODVGGFAVXFTH-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCNC(=O)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703356 848725819 /nfs/dbraw/zinc/72/58/19/848725819.db2.gz JLHRPEIEQSKJFF-UHFFFAOYSA-N 2 1 293.455 1.426 10 30 CDEEMP C#C[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000847018307 848886771 /nfs/dbraw/zinc/88/67/71/848886771.db2.gz IYYMRWBEPBZXNP-KRWDZBQOSA-N 2 1 277.456 1.748 10 30 CDEEMP C#C[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000847018309 849569226 /nfs/dbraw/zinc/56/92/26/849569226.db2.gz IYYMRWBEPBZXNP-QGZVFWFLSA-N 2 1 277.456 1.748 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001566671660 1168382136 /nfs/dbraw/zinc/38/21/36/1168382136.db2.gz DCTBBAMBXBPFEY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001566723093 1168400717 /nfs/dbraw/zinc/40/07/17/1168400717.db2.gz VXNHJRDWFKBNSS-JKSUJKDBSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001566880625 1168455066 /nfs/dbraw/zinc/45/50/66/1168455066.db2.gz BJKVLPVJGKOSQF-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC=C(C)C ZINC001567218650 1168626115 /nfs/dbraw/zinc/62/61/15/1168626115.db2.gz NJYNCLZSHUDSQO-CVEARBPZSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC=C(C)C ZINC001567218650 1168626120 /nfs/dbraw/zinc/62/61/20/1168626120.db2.gz NJYNCLZSHUDSQO-CVEARBPZSA-N 2 1 291.439 1.535 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001567281790 1168657449 /nfs/dbraw/zinc/65/74/49/1168657449.db2.gz GDHARHAAODWTTA-ZBFHGGJFSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379734 1168718154 /nfs/dbraw/zinc/71/81/54/1168718154.db2.gz BDDJULNTFMYVRT-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266859806 896213581 /nfs/dbraw/zinc/21/35/81/896213581.db2.gz QAXKSHSDNZUYPN-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266859806 896213599 /nfs/dbraw/zinc/21/35/99/896213599.db2.gz QAXKSHSDNZUYPN-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267094875 896766921 /nfs/dbraw/zinc/76/69/21/896766921.db2.gz VXSDRNYXPQTOOT-LSDHHAIUSA-N 2 1 288.395 1.232 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267301681 897520595 /nfs/dbraw/zinc/52/05/95/897520595.db2.gz DHRVZKSNPAWZBO-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001267670239 899216529 /nfs/dbraw/zinc/21/65/29/899216529.db2.gz OOIMFCKBDTYACI-OKILXGFUSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001267670239 899216535 /nfs/dbraw/zinc/21/65/35/899216535.db2.gz OOIMFCKBDTYACI-OKILXGFUSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001481496786 900923356 /nfs/dbraw/zinc/92/33/56/900923356.db2.gz FVBBTKKCLVJMLO-GJZGRUSLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481496786 900923360 /nfs/dbraw/zinc/92/33/60/900923360.db2.gz FVBBTKKCLVJMLO-GJZGRUSLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481496786 900923368 /nfs/dbraw/zinc/92/33/68/900923368.db2.gz FVBBTKKCLVJMLO-GJZGRUSLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001481496788 900923500 /nfs/dbraw/zinc/92/35/00/900923500.db2.gz FVBBTKKCLVJMLO-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481496788 900923504 /nfs/dbraw/zinc/92/35/04/900923504.db2.gz FVBBTKKCLVJMLO-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481496788 900923508 /nfs/dbraw/zinc/92/35/08/900923508.db2.gz FVBBTKKCLVJMLO-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001268080571 901127114 /nfs/dbraw/zinc/12/71/14/901127114.db2.gz ITZHBAARXHAQRS-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481677425 901780364 /nfs/dbraw/zinc/78/03/64/901780364.db2.gz FAVSRCSDXIEJME-JYJNAYRXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001481677425 901780372 /nfs/dbraw/zinc/78/03/72/901780372.db2.gz FAVSRCSDXIEJME-JYJNAYRXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001481677425 901780376 /nfs/dbraw/zinc/78/03/76/901780376.db2.gz FAVSRCSDXIEJME-JYJNAYRXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001481695399 901819344 /nfs/dbraw/zinc/81/93/44/901819344.db2.gz DERLFWZOCQRKAY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481694822 901820920 /nfs/dbraw/zinc/82/09/20/901820920.db2.gz RRVRDNXLFSUJCY-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001481694822 901820916 /nfs/dbraw/zinc/82/09/16/901820916.db2.gz RRVRDNXLFSUJCY-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481694822 901820925 /nfs/dbraw/zinc/82/09/25/901820925.db2.gz RRVRDNXLFSUJCY-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001268522647 902502554 /nfs/dbraw/zinc/50/25/54/902502554.db2.gz MLANCYPFIPSETG-KXLSMFKISA-N 2 1 279.428 1.697 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=C)Cl ZINC001482109583 902652411 /nfs/dbraw/zinc/65/24/11/902652411.db2.gz GSBSPOIDNMGLQB-JSGCOSHPSA-N 2 1 297.830 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=C)Cl ZINC001482109583 902652420 /nfs/dbraw/zinc/65/24/20/902652420.db2.gz GSBSPOIDNMGLQB-JSGCOSHPSA-N 2 1 297.830 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482110195 902657265 /nfs/dbraw/zinc/65/72/65/902657265.db2.gz LXUNSTLRLCXTJW-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268582109 902665546 /nfs/dbraw/zinc/66/55/46/902665546.db2.gz GAKWEDJTJLGGBE-LLYBFZRZSA-N 2 1 277.412 1.004 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268847767 903177924 /nfs/dbraw/zinc/17/79/24/903177924.db2.gz MYSUUSCZIIONHQ-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001268988115 903307645 /nfs/dbraw/zinc/30/76/45/903307645.db2.gz MVJJXEMCGMGBTR-HOTGVXAUSA-N 2 1 289.423 1.171 10 30 CDEEMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001268988115 903307654 /nfs/dbraw/zinc/30/76/54/903307654.db2.gz MVJJXEMCGMGBTR-HOTGVXAUSA-N 2 1 289.423 1.171 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001269072098 903393241 /nfs/dbraw/zinc/39/32/41/903393241.db2.gz YAHZRTABCJSDPN-RRFJBIMHSA-N 2 1 279.428 1.387 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001269246172 903605117 /nfs/dbraw/zinc/60/51/17/903605117.db2.gz SWPNYYBGQKXWKL-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001269246172 903605125 /nfs/dbraw/zinc/60/51/25/903605125.db2.gz SWPNYYBGQKXWKL-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001269246172 903605129 /nfs/dbraw/zinc/60/51/29/903605129.db2.gz SWPNYYBGQKXWKL-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270599886 904773721 /nfs/dbraw/zinc/77/37/21/904773721.db2.gz PNXASUPGXHTWML-GDBMZVCRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001482369513 905219386 /nfs/dbraw/zinc/21/93/86/905219386.db2.gz MZIQWIUAHHZCCQ-GOEBONIOSA-N 2 1 289.423 1.912 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001271759046 906780931 /nfs/dbraw/zinc/78/09/31/906780931.db2.gz LFAOLQLRWSZMRL-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC(C)C ZINC001482929593 908498493 /nfs/dbraw/zinc/49/84/93/908498493.db2.gz BPYQAIBEDQKEMG-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC(C)C ZINC001482929593 908498497 /nfs/dbraw/zinc/49/84/97/908498497.db2.gz BPYQAIBEDQKEMG-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@H+](C)C(C)C ZINC001483097048 909334073 /nfs/dbraw/zinc/33/40/73/909334073.db2.gz HZJHDNPDZQMSFP-WAYWQWQTSA-N 2 1 273.808 1.341 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001483158641 909883383 /nfs/dbraw/zinc/88/33/83/909883383.db2.gz APEUVWXRAKNTOL-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001483354015 910964708 /nfs/dbraw/zinc/96/47/08/910964708.db2.gz PGKAQJVOSOBREK-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001483354015 910964722 /nfs/dbraw/zinc/96/47/22/910964722.db2.gz PGKAQJVOSOBREK-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483354015 910964732 /nfs/dbraw/zinc/96/47/32/910964732.db2.gz PGKAQJVOSOBREK-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001483955610 915241252 /nfs/dbraw/zinc/24/12/52/915241252.db2.gz MJYZEJRKCBZUOH-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001484095100 915429176 /nfs/dbraw/zinc/42/91/76/915429176.db2.gz BHJKJZCSGLDWTC-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001484378291 915693196 /nfs/dbraw/zinc/69/31/96/915693196.db2.gz WOUUXKQXOFTEKJ-LSDHHAIUSA-N 2 1 295.471 1.834 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001484724008 916081138 /nfs/dbraw/zinc/08/11/38/916081138.db2.gz MDBXEPGIJRSZRZ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001485094754 916508648 /nfs/dbraw/zinc/50/86/48/916508648.db2.gz UIVQFXMFWOHUMN-GPANFISMSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001485350751 916872405 /nfs/dbraw/zinc/87/24/05/916872405.db2.gz RBVGCLDVHOSIIA-UONOGXRCSA-N 2 1 267.417 1.177 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001490898270 936669839 /nfs/dbraw/zinc/66/98/39/936669839.db2.gz YHAHTWDTVQQHMC-FPCVCCKLSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001490898270 936669840 /nfs/dbraw/zinc/66/98/40/936669840.db2.gz YHAHTWDTVQQHMC-FPCVCCKLSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001486423114 920993915 /nfs/dbraw/zinc/99/39/15/920993915.db2.gz JMRMKWYQLVTRCR-CQSZACIVSA-N 2 1 292.427 1.888 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001568325836 1169246339 /nfs/dbraw/zinc/24/63/39/1169246339.db2.gz QTWVAIGCVXJDGC-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001491211159 936876792 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C=CCCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494856229 932130499 /nfs/dbraw/zinc/13/04/99/932130499.db2.gz RTCASAOPSRDABI-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001494856229 932130505 /nfs/dbraw/zinc/13/05/05/932130505.db2.gz RTCASAOPSRDABI-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001276052904 932476400 /nfs/dbraw/zinc/47/64/00/932476400.db2.gz PGYTVXMCOHTEPQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)NC(C)(C)C[N@H+](C)CCC ZINC001122160419 937909619 /nfs/dbraw/zinc/90/96/19/937909619.db2.gz OFZQXSAFUQLWMJ-ZDUSSCGKSA-N 2 1 269.433 1.907 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001568669674 1169423492 /nfs/dbraw/zinc/42/34/92/1169423492.db2.gz ULMXPKIETOXAEB-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001276601683 940408785 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C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCC1 ZINC001280544786 942459627 /nfs/dbraw/zinc/45/96/27/942459627.db2.gz FPYWUZPZYOXOBF-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957635 942637519 /nfs/dbraw/zinc/63/75/19/942637519.db2.gz SIDONFKBPZQHAT-HNNXBMFYSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001282334482 942689398 /nfs/dbraw/zinc/68/93/98/942689398.db2.gz AMAASWXNCKVHHO-GASCZTMLSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001282677536 942737784 /nfs/dbraw/zinc/73/77/84/942737784.db2.gz BILPKTAEQMYLMH-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001282677536 942737785 /nfs/dbraw/zinc/73/77/85/942737785.db2.gz BILPKTAEQMYLMH-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001282677536 942737787 /nfs/dbraw/zinc/73/77/87/942737787.db2.gz BILPKTAEQMYLMH-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@@H]12 ZINC001284071015 943069924 /nfs/dbraw/zinc/06/99/24/943069924.db2.gz LBZRWACLHFZVOL-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001284071015 943069929 /nfs/dbraw/zinc/06/99/29/943069929.db2.gz LBZRWACLHFZVOL-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CCC)CCC[C@@H]12 ZINC001284071015 943069936 /nfs/dbraw/zinc/06/99/36/943069936.db2.gz LBZRWACLHFZVOL-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)CCc1c[nH]cn1)C(C)C ZINC001284537710 943203833 /nfs/dbraw/zinc/20/38/33/943203833.db2.gz QXPYHPULGRRNMK-UHFFFAOYSA-N 2 1 290.411 1.534 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C(=O)CCc1cnc[nH]1)C(C)C ZINC001284537710 943203839 /nfs/dbraw/zinc/20/38/39/943203839.db2.gz QXPYHPULGRRNMK-UHFFFAOYSA-N 2 1 290.411 1.534 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)CCc1cnc[nH]1)C(C)C ZINC001284537710 943203842 /nfs/dbraw/zinc/20/38/42/943203842.db2.gz QXPYHPULGRRNMK-UHFFFAOYSA-N 2 1 290.411 1.534 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001264055874 944072224 /nfs/dbraw/zinc/07/22/24/944072224.db2.gz RITNLEWAWHFVCU-LSDHHAIUSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1CC ZINC001264055874 944072229 /nfs/dbraw/zinc/07/22/29/944072229.db2.gz RITNLEWAWHFVCU-LSDHHAIUSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1CC ZINC001264055874 944072234 /nfs/dbraw/zinc/07/22/34/944072234.db2.gz RITNLEWAWHFVCU-LSDHHAIUSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001264195500 944097773 /nfs/dbraw/zinc/09/77/73/944097773.db2.gz UDZDNEUHAZQNTI-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001264401449 944126492 /nfs/dbraw/zinc/12/64/92/944126492.db2.gz AZIDVWQXYLYYBO-YHUYYLMFSA-N 2 1 293.455 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C=CCC[N@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001499101306 974185907 /nfs/dbraw/zinc/18/59/07/974185907.db2.gz XDEYZQXQLDKDPX-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001499101306 974185912 /nfs/dbraw/zinc/18/59/12/974185912.db2.gz XDEYZQXQLDKDPX-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001499367373 974243461 /nfs/dbraw/zinc/24/34/61/974243461.db2.gz OEYNDRDPRRYXFQ-UHFFFAOYSA-N 2 1 276.384 1.431 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500505308 974445976 /nfs/dbraw/zinc/44/59/76/974445976.db2.gz MLQLNLZQHRKMHA-ZBFHGGJFSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001502367394 974725649 /nfs/dbraw/zinc/72/56/49/974725649.db2.gz GUDHDFFHURCFOM-HOTGVXAUSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001502367394 974725653 /nfs/dbraw/zinc/72/56/53/974725653.db2.gz GUDHDFFHURCFOM-HOTGVXAUSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001502367394 974725656 /nfs/dbraw/zinc/72/56/56/974725656.db2.gz GUDHDFFHURCFOM-HOTGVXAUSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001505640078 974946979 /nfs/dbraw/zinc/94/69/79/974946979.db2.gz AWWVFOCPNVTWCM-NWDGAFQWSA-N 2 1 294.399 1.409 10 30 CDEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001506158221 975118914 /nfs/dbraw/zinc/11/89/14/975118914.db2.gz FXVLCHNNKKMFCT-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001675745794 1174144042 /nfs/dbraw/zinc/14/40/42/1174144042.db2.gz NOCNSSJDLPTFFM-KBUPBQIOSA-N 2 1 279.428 1.387 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001676754599 1174267466 /nfs/dbraw/zinc/26/74/66/1174267466.db2.gz GHNHGQNRAAMYEH-KGLIPLIRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001676814595 1174276698 /nfs/dbraw/zinc/27/66/98/1174276698.db2.gz IKFSCCLDYHBKJU-GOEBONIOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001677033027 1174309129 /nfs/dbraw/zinc/30/91/29/1174309129.db2.gz QMWOTRATRDGWHW-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001570197792 1170103278 /nfs/dbraw/zinc/10/32/78/1170103278.db2.gz UKWNLFNRALUFHF-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001570197792 1170103282 /nfs/dbraw/zinc/10/32/82/1170103282.db2.gz UKWNLFNRALUFHF-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001570197792 1170103286 /nfs/dbraw/zinc/10/32/86/1170103286.db2.gz UKWNLFNRALUFHF-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001570196591 1170109307 /nfs/dbraw/zinc/10/93/07/1170109307.db2.gz LDLNWDQPORJBHW-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001570780757 1170279671 /nfs/dbraw/zinc/27/96/71/1170279671.db2.gz BTXOIOHPXXOJFJ-CABCVRRESA-N 2 1 279.428 1.034 10 30 CDEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001570826848 1170290220 /nfs/dbraw/zinc/29/02/20/1170290220.db2.gz FFKBCIKKKHGMKE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001570826848 1170290224 /nfs/dbraw/zinc/29/02/24/1170290224.db2.gz FFKBCIKKKHGMKE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001570826848 1170290229 /nfs/dbraw/zinc/29/02/29/1170290229.db2.gz FFKBCIKKKHGMKE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001571628730 1170502385 /nfs/dbraw/zinc/50/23/85/1170502385.db2.gz VLHKFMXOZVIVEW-CQSZACIVSA-N 2 1 292.427 1.888 10 30 CDEEMP C[NH2+]CCC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592478304 342699265 /nfs/dbraw/zinc/69/92/65/342699265.db2.gz ZEIPMLZJTWKSDD-UHFFFAOYSA-N 2 1 258.369 1.775 10 30 CDEEMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594438901 342906653 /nfs/dbraw/zinc/90/66/53/342906653.db2.gz MTRMSRGWSPHPLJ-GJZGRUSLSA-N 2 1 294.443 1.588 10 30 CDEEMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595935506 343201352 /nfs/dbraw/zinc/20/13/52/343201352.db2.gz DVJIEOGTGQNODT-KGLIPLIRSA-N 2 1 294.443 1.634 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1cccnc1C#N ZINC000596425844 343312129 /nfs/dbraw/zinc/31/21/29/343312129.db2.gz WSDWRYJTPLQXEG-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cccnc1C#N ZINC000596425844 343312131 /nfs/dbraw/zinc/31/21/31/343312131.db2.gz WSDWRYJTPLQXEG-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP N#Cc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CC2 ZINC000600709732 349876967 /nfs/dbraw/zinc/87/69/67/349876967.db2.gz QDULVLCQPZVIIV-HNNXBMFYSA-N 2 1 271.364 1.643 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001661437016 1172390694 /nfs/dbraw/zinc/39/06/94/1172390694.db2.gz WUAYIOUKPGBKKV-FPCVCCKLSA-N 2 1 291.439 1.816 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001661510521 1172400199 /nfs/dbraw/zinc/40/01/99/1172400199.db2.gz CXCHCMCYUCBKDZ-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001661554594 1172405448 /nfs/dbraw/zinc/40/54/48/1172405448.db2.gz DAVSPIBIVSQAEW-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554594 1172405454 /nfs/dbraw/zinc/40/54/54/1172405454.db2.gz DAVSPIBIVSQAEW-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554594 1172405456 /nfs/dbraw/zinc/40/54/56/1172405456.db2.gz DAVSPIBIVSQAEW-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001661655073 1172422282 /nfs/dbraw/zinc/42/22/82/1172422282.db2.gz WZHPPQIXQZRPSK-QXSJWSMHSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001661994903 1172475268 /nfs/dbraw/zinc/47/52/68/1172475268.db2.gz BFYVLVWOWHCMLB-CABCVRRESA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001661994903 1172475273 /nfs/dbraw/zinc/47/52/73/1172475273.db2.gz BFYVLVWOWHCMLB-CABCVRRESA-N 2 1 288.395 1.041 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193631923 375884379 /nfs/dbraw/zinc/88/43/79/375884379.db2.gz PZYOFDQJILNJSK-IYBDPMFKSA-N 2 1 285.391 1.821 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193631923 375884381 /nfs/dbraw/zinc/88/43/81/375884381.db2.gz PZYOFDQJILNJSK-IYBDPMFKSA-N 2 1 285.391 1.821 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3cccc(C#N)c3)C[C@@H]2C1 ZINC000193631923 375884388 /nfs/dbraw/zinc/88/43/88/375884388.db2.gz PZYOFDQJILNJSK-IYBDPMFKSA-N 2 1 285.391 1.821 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC(CC[NH2+]C)CC2)nn1 ZINC000655937784 412957135 /nfs/dbraw/zinc/95/71/35/412957135.db2.gz FLTDBFRPVUYOSB-UHFFFAOYSA-N 2 1 277.416 1.676 10 30 CDEEMP C=CCOCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000339145310 391260321 /nfs/dbraw/zinc/26/03/21/391260321.db2.gz OGKSUYDHXWTUEZ-UHFFFAOYSA-N 2 1 277.368 1.415 10 30 CDEEMP C=CC[NH+]1CCC(Nc2cc[nH+]c(N(C)C)n2)CC1 ZINC000354355585 391416807 /nfs/dbraw/zinc/41/68/07/391416807.db2.gz ZTKPCLKYNNWZIL-UHFFFAOYSA-N 2 1 261.373 1.027 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001663683908 1172745240 /nfs/dbraw/zinc/74/52/40/1172745240.db2.gz KPDJTSNBUGDLHE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001663683908 1172745245 /nfs/dbraw/zinc/74/52/45/1172745245.db2.gz KPDJTSNBUGDLHE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001663683908 1172745250 /nfs/dbraw/zinc/74/52/50/1172745250.db2.gz KPDJTSNBUGDLHE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001665309600 1172977223 /nfs/dbraw/zinc/97/72/23/1172977223.db2.gz ZRFLKHWQOZASFX-CYBMUJFWSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CCC[N@H+](C(C)C)CC2)CCC[NH2+]1 ZINC000662822294 413550502 /nfs/dbraw/zinc/55/05/02/413550502.db2.gz MPBJHWURQYGRKZ-INIZCTEOSA-N 2 1 279.428 1.627 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189124 176064452 /nfs/dbraw/zinc/06/44/52/176064452.db2.gz ZLZYWKLWKXPGBS-HNNXBMFYSA-N 2 1 273.380 1.821 10 30 CDEEMP C[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189124 176064453 /nfs/dbraw/zinc/06/44/53/176064453.db2.gz ZLZYWKLWKXPGBS-HNNXBMFYSA-N 2 1 273.380 1.821 10 30 CDEEMP C[NH+](CCOc1ccc(C#N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189124 176064454 /nfs/dbraw/zinc/06/44/54/176064454.db2.gz ZLZYWKLWKXPGBS-HNNXBMFYSA-N 2 1 273.380 1.821 10 30 CDEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)N(C)Cc1cccn1C ZINC000160921279 264267859 /nfs/dbraw/zinc/26/78/59/264267859.db2.gz UWJOMUQBRWNHEU-CYBMUJFWSA-N 2 1 277.416 1.127 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001667100627 1173234513 /nfs/dbraw/zinc/23/45/13/1173234513.db2.gz GFDSMWBPGSNLFY-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001670357471 1173674719 /nfs/dbraw/zinc/67/47/19/1173674719.db2.gz GZQKKPPSSOIWGS-UHFFFAOYSA-N 2 1 275.824 1.517 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690826328 1175583694 /nfs/dbraw/zinc/58/36/94/1175583694.db2.gz DOSYUVXMIKFXOQ-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690826328 1175583702 /nfs/dbraw/zinc/58/37/02/1175583702.db2.gz DOSYUVXMIKFXOQ-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482331147 1160155257 /nfs/dbraw/zinc/15/52/57/1160155257.db2.gz OCGXZCIINCBVOX-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001691623361 1160721654 /nfs/dbraw/zinc/72/16/54/1160721654.db2.gz UGNKERGZUYCRLT-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715711993 1179772313 /nfs/dbraw/zinc/77/23/13/1179772313.db2.gz GSTQZQUJRSIOKE-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP CC[C@@H](C)[NH+]1CCN(CCC[C@@](C)([NH3+])C#N)CC1 ZINC000055070105 522118087 /nfs/dbraw/zinc/11/80/87/522118087.db2.gz JNFZHUANNYPEIE-ZIAGYGMSSA-N 2 1 252.406 1.424 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CCCO1 ZINC000049609676 523203382 /nfs/dbraw/zinc/20/33/82/523203382.db2.gz CMQGYUHAWLWSOJ-MRXNPFEDSA-N 2 1 258.365 1.608 10 30 CDEEMP Cn1cc(C[N@H+](C)Cc2ccc(F)cc2C#CC[NH3+])cn1 ZINC000049609826 523516889 /nfs/dbraw/zinc/51/68/89/523516889.db2.gz NYSLOIVMIJCDHB-UHFFFAOYSA-N 2 1 286.354 1.501 10 30 CDEEMP Cn1cc(C[N@@H+](C)Cc2ccc(F)cc2C#CC[NH3+])cn1 ZINC000049609826 523516895 /nfs/dbraw/zinc/51/68/95/523516895.db2.gz NYSLOIVMIJCDHB-UHFFFAOYSA-N 2 1 286.354 1.501 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001691760495 1174724041 /nfs/dbraw/zinc/72/40/41/1174724041.db2.gz ZLASDUKYOGJVOD-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001691760495 1174724046 /nfs/dbraw/zinc/72/40/46/1174724046.db2.gz ZLASDUKYOGJVOD-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001691760495 1174724050 /nfs/dbraw/zinc/72/40/50/1174724050.db2.gz ZLASDUKYOGJVOD-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000764568826 575921137 /nfs/dbraw/zinc/92/11/37/575921137.db2.gz CKAZVASLMLPPIJ-TZMCWYRMSA-N 2 1 267.417 1.293 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C/Cl ZINC001689807971 1175265357 /nfs/dbraw/zinc/26/53/57/1175265357.db2.gz OPDMUMMAGGUATO-GPAKFWEMSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C/Cl ZINC001689807971 1175265361 /nfs/dbraw/zinc/26/53/61/1175265361.db2.gz OPDMUMMAGGUATO-GPAKFWEMSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C/Cl ZINC001689807971 1175265364 /nfs/dbraw/zinc/26/53/64/1175265364.db2.gz OPDMUMMAGGUATO-GPAKFWEMSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C/Cl ZINC001689807971 1175265369 /nfs/dbraw/zinc/26/53/69/1175265369.db2.gz OPDMUMMAGGUATO-GPAKFWEMSA-N 2 1 297.830 1.275 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941220811 613581179 /nfs/dbraw/zinc/58/11/79/613581179.db2.gz IDPXFIKZEPWZTD-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941220811 613581181 /nfs/dbraw/zinc/58/11/81/613581181.db2.gz IDPXFIKZEPWZTD-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941220811 613581182 /nfs/dbraw/zinc/58/11/82/613581182.db2.gz IDPXFIKZEPWZTD-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893366 613783560 /nfs/dbraw/zinc/78/35/60/613783560.db2.gz OZRLJMXAVDDUNG-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893366 613783563 /nfs/dbraw/zinc/78/35/63/613783563.db2.gz OZRLJMXAVDDUNG-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000923426929 618333481 /nfs/dbraw/zinc/33/34/81/618333481.db2.gz HWRPBWIRZFJBDM-GJZGRUSLSA-N 2 1 252.402 1.779 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000901024983 623818805 /nfs/dbraw/zinc/81/88/05/623818805.db2.gz YIMIPBXEVZAETI-OAHLLOKOSA-N 2 1 281.444 1.588 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905099254 626619426 /nfs/dbraw/zinc/61/94/26/626619426.db2.gz ZZSABKRCIZVLGG-INIZCTEOSA-N 2 1 296.455 1.530 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000908361408 628158712 /nfs/dbraw/zinc/15/87/12/628158712.db2.gz BBWZKHZKYKLYDU-HNNXBMFYSA-N 2 1 265.401 1.049 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913274373 630426544 /nfs/dbraw/zinc/42/65/44/630426544.db2.gz MNFRXWNDIMILIK-IYBDPMFKSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001691002572 1158526723 /nfs/dbraw/zinc/52/67/23/1158526723.db2.gz KWAFAEOTHOAFNN-UHFFFAOYSA-N 2 1 289.423 1.743 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+](C)Cc1ccccc1 ZINC001691002572 1158526727 /nfs/dbraw/zinc/52/67/27/1158526727.db2.gz KWAFAEOTHOAFNN-UHFFFAOYSA-N 2 1 289.423 1.743 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001691002572 1158526729 /nfs/dbraw/zinc/52/67/29/1158526729.db2.gz KWAFAEOTHOAFNN-UHFFFAOYSA-N 2 1 289.423 1.743 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001691002572 1158526733 /nfs/dbraw/zinc/52/67/33/1158526733.db2.gz KWAFAEOTHOAFNN-UHFFFAOYSA-N 2 1 289.423 1.743 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266626670 1158704632 /nfs/dbraw/zinc/70/46/32/1158704632.db2.gz SKAFTWFMDHJGGQ-YHUYYLMFSA-N 2 1 289.423 1.263 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001724860722 1158839914 /nfs/dbraw/zinc/83/99/14/1158839914.db2.gz QEINPBCALWHKNG-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001691222754 1158965318 /nfs/dbraw/zinc/96/53/18/1158965318.db2.gz HAEHZUNIEXLUOM-UHFFFAOYSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481530280 1159769124 /nfs/dbraw/zinc/76/91/24/1159769124.db2.gz FHSUDOBQFWGIQX-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481530280 1159769130 /nfs/dbraw/zinc/76/91/30/1159769130.db2.gz FHSUDOBQFWGIQX-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269236093 1160044088 /nfs/dbraw/zinc/04/40/88/1160044088.db2.gz VOFQUCXLBIUDFJ-QLFBSQMISA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001269236093 1160044094 /nfs/dbraw/zinc/04/40/94/1160044094.db2.gz VOFQUCXLBIUDFJ-QLFBSQMISA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001269236093 1160044101 /nfs/dbraw/zinc/04/41/01/1160044101.db2.gz VOFQUCXLBIUDFJ-QLFBSQMISA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+]1Cc2ccc(CNC(=O)Cn3ccnc3)cc2C1 ZINC001274045119 1166568973 /nfs/dbraw/zinc/56/89/73/1166568973.db2.gz SYMVAPBCOLFMCC-UHFFFAOYSA-N 2 1 296.374 1.701 10 30 CDEEMP C=CC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001566600954 1168352779 /nfs/dbraw/zinc/35/27/79/1168352779.db2.gz RRGIMMSFBXJRDC-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001566600954 1168352783 /nfs/dbraw/zinc/35/27/83/1168352783.db2.gz RRGIMMSFBXJRDC-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001566600954 1168352788 /nfs/dbraw/zinc/35/27/88/1168352788.db2.gz RRGIMMSFBXJRDC-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001567155120 1168599873 /nfs/dbraw/zinc/59/98/73/1168599873.db2.gz MEYBAJHJAXAUEM-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001647446458 1168700241 /nfs/dbraw/zinc/70/02/41/1168700241.db2.gz CFJMQMWRINVJLD-USXIJHARSA-N 2 1 287.407 1.761 10 30 CDEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001647446458 1168700250 /nfs/dbraw/zinc/70/02/50/1168700250.db2.gz CFJMQMWRINVJLD-USXIJHARSA-N 2 1 287.407 1.761 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001567681179 1168914824 /nfs/dbraw/zinc/91/48/24/1168914824.db2.gz NTQVRKFNQGPMEP-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001567964908 1169098345 /nfs/dbraw/zinc/09/83/45/1169098345.db2.gz PRZFEMKUBOVZBN-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001569329718 1169767823 /nfs/dbraw/zinc/76/78/23/1169767823.db2.gz SMURTDJWSNGUFZ-HUUCEWRRSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)Cn1cc[nH+]c1C ZINC001570816031 1170286023 /nfs/dbraw/zinc/28/60/23/1170286023.db2.gz PIXSXTKNHCTTIO-OAHLLOKOSA-N 2 1 290.411 1.479 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001664811636 1172915359 /nfs/dbraw/zinc/91/53/59/1172915359.db2.gz DIMPGZCXSHYXHA-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001664811636 1172915372 /nfs/dbraw/zinc/91/53/72/1172915372.db2.gz DIMPGZCXSHYXHA-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666417897 1173134240 /nfs/dbraw/zinc/13/42/40/1173134240.db2.gz QQEYBOGHKQFIGS-RBSFLKMASA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001667007448 1173221270 /nfs/dbraw/zinc/22/12/70/1173221270.db2.gz AZRFNPUSKZOBCP-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001667117970 1173236364 /nfs/dbraw/zinc/23/63/64/1173236364.db2.gz HWVHHYWICMEGDL-CABCVRRESA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001676369988 1174215862 /nfs/dbraw/zinc/21/58/62/1174215862.db2.gz YZNQVPPJDMJXMB-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001690616108 1175524007 /nfs/dbraw/zinc/52/40/07/1175524007.db2.gz BVVZPOTVOFFRCY-JSGCOSHPSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001690737878 1175559481 /nfs/dbraw/zinc/55/94/81/1175559481.db2.gz ACHXEQIBBBBOBL-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001690826328 1175583690 /nfs/dbraw/zinc/58/36/90/1175583690.db2.gz DOSYUVXMIKFXOQ-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001691882419 1175645362 /nfs/dbraw/zinc/64/53/62/1175645362.db2.gz NGOWCDSXNWQMPU-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691979694 1175662624 /nfs/dbraw/zinc/66/26/24/1175662624.db2.gz RBMHKBRORHNMPD-KBPBESRZSA-N 2 1 267.417 1.293 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698919619 1175984488 /nfs/dbraw/zinc/98/44/88/1175984488.db2.gz CSRYLXKHJPHMEW-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001699415836 1176379131 /nfs/dbraw/zinc/37/91/31/1176379131.db2.gz XYLCMBJOGRDOHN-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001699459434 1176424090 /nfs/dbraw/zinc/42/40/90/1176424090.db2.gz GFVTUCJLESKFPH-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001699459434 1176424097 /nfs/dbraw/zinc/42/40/97/1176424097.db2.gz GFVTUCJLESKFPH-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001699459434 1176424103 /nfs/dbraw/zinc/42/41/03/1176424103.db2.gz GFVTUCJLESKFPH-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001700409930 1176912503 /nfs/dbraw/zinc/91/25/03/1176912503.db2.gz RPRZMAGLIYACAG-UONOGXRCSA-N 2 1 278.400 1.641 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001700483856 1176972543 /nfs/dbraw/zinc/97/25/43/1176972543.db2.gz TXXKONVAIQVQIU-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CCC ZINC001700483856 1176972548 /nfs/dbraw/zinc/97/25/48/1176972548.db2.gz TXXKONVAIQVQIU-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)CCC ZINC001700483856 1176972550 /nfs/dbraw/zinc/97/25/50/1176972550.db2.gz TXXKONVAIQVQIU-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700770641 1177125090 /nfs/dbraw/zinc/12/50/90/1177125090.db2.gz OZTPVDQEXZXSTO-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1CC ZINC001707201761 1177967385 /nfs/dbraw/zinc/96/73/85/1177967385.db2.gz SJBISDYOOMHTST-XHSDSOJGSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1CC ZINC001707202856 1177967801 /nfs/dbraw/zinc/96/78/01/1177967801.db2.gz GLMIYTQGRUXFEX-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001712954884 1178265446 /nfs/dbraw/zinc/26/54/46/1178265446.db2.gz UWAVYJTVJNXVGF-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001712954884 1178265453 /nfs/dbraw/zinc/26/54/53/1178265453.db2.gz UWAVYJTVJNXVGF-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001712954884 1178265459 /nfs/dbraw/zinc/26/54/59/1178265459.db2.gz UWAVYJTVJNXVGF-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001713117003 1178376513 /nfs/dbraw/zinc/37/65/13/1178376513.db2.gz NUPMWLJPLJRNHX-HZPDHXFCSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713175323 1178413878 /nfs/dbraw/zinc/41/38/78/1178413878.db2.gz YQZDDHMDUJIZAO-IHRRRGAJSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001713253067 1178455899 /nfs/dbraw/zinc/45/58/99/1178455899.db2.gz MABZIVVBAYJWLF-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397093 1178535776 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C=CC[N@@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001714544119 1179199182 /nfs/dbraw/zinc/19/91/82/1179199182.db2.gz TWHZAVSXVLHURJ-CYBMUJFWSA-N 2 1 278.400 1.631 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001714544119 1179199189 /nfs/dbraw/zinc/19/91/89/1179199189.db2.gz TWHZAVSXVLHURJ-CYBMUJFWSA-N 2 1 278.400 1.631 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001714732397 1179363997 /nfs/dbraw/zinc/36/39/97/1179363997.db2.gz XHUSPWBPIZEQEY-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001714828726 1179413617 /nfs/dbraw/zinc/41/36/17/1179413617.db2.gz GYNCDTRCRQUGAN-UHFFFAOYSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001714833113 1179415608 /nfs/dbraw/zinc/41/56/08/1179415608.db2.gz PHNUSAJNAYYPEE-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001714833113 1179415613 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CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(C)C ZINC001715830462 1179854055 /nfs/dbraw/zinc/85/40/55/1179854055.db2.gz YPFKKRDZLWBVSZ-JFDDCEBESA-N 2 1 291.439 1.392 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(C)C ZINC001715830462 1179854067 /nfs/dbraw/zinc/85/40/67/1179854067.db2.gz YPFKKRDZLWBVSZ-JFDDCEBESA-N 2 1 291.439 1.392 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001716297126 1180147679 /nfs/dbraw/zinc/14/76/79/1180147679.db2.gz XCNWWQHBZCLHHC-MHKRFPNSSA-N 2 1 277.412 1.002 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001716398492 1180186516 /nfs/dbraw/zinc/18/65/16/1180186516.db2.gz XIIFFTANLZNVCS-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001716622614 1180310010 /nfs/dbraw/zinc/31/00/10/1180310010.db2.gz JTXQXYVKVNSEHI-CQSZACIVSA-N 2 1 290.411 1.677 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001716690974 1180372788 /nfs/dbraw/zinc/37/27/88/1180372788.db2.gz VFFUJUKGKYZKSU-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001716965214 1180484614 /nfs/dbraw/zinc/48/46/14/1180484614.db2.gz CXVQPARYHHGWOP-CABCVRRESA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001717207445 1180576296 /nfs/dbraw/zinc/57/62/96/1180576296.db2.gz CJOMYZBWCRUPJL-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479921 1180697441 /nfs/dbraw/zinc/69/74/41/1180697441.db2.gz VEIBCVNWVIRMPZ-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001717859894 1180897864 /nfs/dbraw/zinc/89/78/64/1180897864.db2.gz GIWFPPAACPRMLN-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717859894 1180897870 /nfs/dbraw/zinc/89/78/70/1180897870.db2.gz GIWFPPAACPRMLN-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717859894 1180897879 /nfs/dbraw/zinc/89/78/79/1180897879.db2.gz GIWFPPAACPRMLN-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001717886509 1180913945 /nfs/dbraw/zinc/91/39/45/1180913945.db2.gz DMBZRXNNQFJKRM-HUUCEWRRSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001717952804 1180943248 /nfs/dbraw/zinc/94/32/48/1180943248.db2.gz OSHXEVVOKGLCFR-UHFFFAOYSA-N 2 1 267.417 1.129 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@H+](C)C(C)C)C(C)C ZINC001717952804 1180943249 /nfs/dbraw/zinc/94/32/49/1180943249.db2.gz OSHXEVVOKGLCFR-UHFFFAOYSA-N 2 1 267.417 1.129 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001717952804 1180943252 /nfs/dbraw/zinc/94/32/52/1180943252.db2.gz OSHXEVVOKGLCFR-UHFFFAOYSA-N 2 1 267.417 1.129 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001717973661 1180954861 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C=CCCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001724849030 1181774225 /nfs/dbraw/zinc/77/42/25/1181774225.db2.gz XZDHAQRTQIDTOQ-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001724858320 1181777653 /nfs/dbraw/zinc/77/76/53/1181777653.db2.gz SGKSLWZGTMCFGW-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001725039662 1181830811 /nfs/dbraw/zinc/83/08/11/1181830811.db2.gz DFMFUOXVEZBNNL-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001725039662 1181830817 /nfs/dbraw/zinc/83/08/17/1181830817.db2.gz DFMFUOXVEZBNNL-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001725451171 1182005715 /nfs/dbraw/zinc/00/57/15/1182005715.db2.gz CWVCBHQETQIZDC-CVEARBPZSA-N 2 1 293.455 1.759 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731497006 1182421638 /nfs/dbraw/zinc/42/16/38/1182421638.db2.gz CEBXEWOFNCOAAE-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+]1CC(CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001732139525 1182797960 /nfs/dbraw/zinc/79/79/60/1182797960.db2.gz FVPGEVZCAXCQPD-UHFFFAOYSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CCC[NH+]1CC(CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001732139525 1182797966 /nfs/dbraw/zinc/79/79/66/1182797966.db2.gz FVPGEVZCAXCQPD-UHFFFAOYSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C(C)C)cc1 ZINC001732318000 1182904528 /nfs/dbraw/zinc/90/45/28/1182904528.db2.gz GMMILBRZEKEGNP-UHFFFAOYSA-N 2 1 287.407 1.366 10 30 CDEEMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001732383105 1182939803 /nfs/dbraw/zinc/93/98/03/1182939803.db2.gz CJUPMUSCTKZIFC-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001732383105 1182939811 /nfs/dbraw/zinc/93/98/11/1182939811.db2.gz CJUPMUSCTKZIFC-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001732383105 1182939818 /nfs/dbraw/zinc/93/98/18/1182939818.db2.gz CJUPMUSCTKZIFC-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001732471168 1182981391 /nfs/dbraw/zinc/98/13/91/1182981391.db2.gz HMOKKGQOIGNRGJ-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001732471168 1182981394 /nfs/dbraw/zinc/98/13/94/1182981394.db2.gz HMOKKGQOIGNRGJ-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001732545824 1183003228 /nfs/dbraw/zinc/00/32/28/1183003228.db2.gz IEURNYGWGOHOKK-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001732623598 1183053346 /nfs/dbraw/zinc/05/33/46/1183053346.db2.gz DARUCBBLEGLSMX-LSDHHAIUSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001732708238 1183094822 /nfs/dbraw/zinc/09/48/22/1183094822.db2.gz ZUUSJAUDAMEMIQ-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001732783837 1183124358 /nfs/dbraw/zinc/12/43/58/1183124358.db2.gz PCVFXBIDVVCXQB-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001733014044 1183238042 /nfs/dbraw/zinc/23/80/42/1183238042.db2.gz WPOQQBRJOLXARU-ZDUSSCGKSA-N 2 1 278.400 1.677 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001733679148 1183495629 /nfs/dbraw/zinc/49/56/29/1183495629.db2.gz WWUHSWVEWCFSOQ-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CC[NH2+][C@H](CCN(C)C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001734083589 1183652811 /nfs/dbraw/zinc/65/28/11/1183652811.db2.gz SJNMCYIFEXTEIU-OAHLLOKOSA-N 2 1 292.427 1.840 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001734098545 1183657157 /nfs/dbraw/zinc/65/71/57/1183657157.db2.gz YIMXXGIBIRVUSW-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000926812364 705332494 /nfs/dbraw/zinc/33/24/94/705332494.db2.gz MLOMRNWVAWKDOY-FZBAJKBMSA-N 2 1 281.403 1.955 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000923550357 705869665 /nfs/dbraw/zinc/86/96/65/705869665.db2.gz CBWBIPUGXJTWSM-ARFHVFGLSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000923550357 705869668 /nfs/dbraw/zinc/86/96/68/705869668.db2.gz CBWBIPUGXJTWSM-ARFHVFGLSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000923550357 705869672 /nfs/dbraw/zinc/86/96/72/705869672.db2.gz CBWBIPUGXJTWSM-ARFHVFGLSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000923550357 705869677 /nfs/dbraw/zinc/86/96/77/705869677.db2.gz CBWBIPUGXJTWSM-ARFHVFGLSA-N 2 1 289.423 1.217 10 30 CDEEMP C=CC[C@H](C(=O)OC)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549010 711679684 /nfs/dbraw/zinc/67/96/84/711679684.db2.gz BHVLLUNZTABDFF-CQSZACIVSA-N 2 1 280.412 1.912 10 30 CDEEMP C[NH+]=C(NCC[N@@H+](C)C1CCCCC1)NC1CC1 ZINC000303386550 711720272 /nfs/dbraw/zinc/72/02/72/711720272.db2.gz AMVXKVXVUVXLFQ-UHFFFAOYSA-N 2 1 252.406 1.578 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001571418121 1167596138 /nfs/dbraw/zinc/59/61/38/1167596138.db2.gz QLAHEPNQLHYBIU-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001566875057 1168038713 /nfs/dbraw/zinc/03/87/13/1168038713.db2.gz NSWGGQOGHDJJMN-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001566875057 1168038716 /nfs/dbraw/zinc/03/87/16/1168038716.db2.gz NSWGGQOGHDJJMN-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001565826830 1168051258 /nfs/dbraw/zinc/05/12/58/1168051258.db2.gz TWZUVRKPVZFAQH-LSDHHAIUSA-N 2 1 279.428 1.129 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001565826830 1168051265 /nfs/dbraw/zinc/05/12/65/1168051265.db2.gz TWZUVRKPVZFAQH-LSDHHAIUSA-N 2 1 279.428 1.129 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567307889 1168669900 /nfs/dbraw/zinc/66/99/00/1168669900.db2.gz MGLCJRXMBKSZDT-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567307889 1168669904 /nfs/dbraw/zinc/66/99/04/1168669904.db2.gz MGLCJRXMBKSZDT-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001567307889 1168669908 /nfs/dbraw/zinc/66/99/08/1168669908.db2.gz MGLCJRXMBKSZDT-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001272566619 913454509 /nfs/dbraw/zinc/45/45/09/913454509.db2.gz ZZJOICJFLXIUFS-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001567433142 1168758711 /nfs/dbraw/zinc/75/87/11/1168758711.db2.gz UKHSQLFNCKQKFY-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001567433142 1168758727 /nfs/dbraw/zinc/75/87/27/1168758727.db2.gz UKHSQLFNCKQKFY-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001567433142 1168758738 /nfs/dbraw/zinc/75/87/38/1168758738.db2.gz UKHSQLFNCKQKFY-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001480923157 897080607 /nfs/dbraw/zinc/08/06/07/897080607.db2.gz MVMXLDJFPKLODW-ZIAGYGMSSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480927460 897305694 /nfs/dbraw/zinc/30/56/94/897305694.db2.gz FYTUVKWUAJJYFF-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267255965 897352827 /nfs/dbraw/zinc/35/28/27/897352827.db2.gz UYHWMPOSHQWPSI-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267255965 897352840 /nfs/dbraw/zinc/35/28/40/897352840.db2.gz UYHWMPOSHQWPSI-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267255965 897352854 /nfs/dbraw/zinc/35/28/54/897352854.db2.gz UYHWMPOSHQWPSI-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267302976 897530655 /nfs/dbraw/zinc/53/06/55/897530655.db2.gz JGXBRFKQVCTEMB-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267302976 897530663 /nfs/dbraw/zinc/53/06/63/897530663.db2.gz JGXBRFKQVCTEMB-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001272624185 914204526 /nfs/dbraw/zinc/20/45/26/914204526.db2.gz IISLJPGVXZKBOY-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267493910 898149542 /nfs/dbraw/zinc/14/95/42/898149542.db2.gz NOGZIHMCFWMGRB-CYBMUJFWSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267568295 898392669 /nfs/dbraw/zinc/39/26/69/898392669.db2.gz IJCOOBCAOILQRI-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267594246 898637861 /nfs/dbraw/zinc/63/78/61/898637861.db2.gz BSAYPXGPGRNGRS-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267594246 898637870 /nfs/dbraw/zinc/63/78/70/898637870.db2.gz BSAYPXGPGRNGRS-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267594246 898637873 /nfs/dbraw/zinc/63/78/73/898637873.db2.gz BSAYPXGPGRNGRS-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001481041596 898661551 /nfs/dbraw/zinc/66/15/51/898661551.db2.gz IJYDJCVANPEWFF-GJZGRUSLSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001267602543 898721339 /nfs/dbraw/zinc/72/13/39/898721339.db2.gz CUFQUZDGZAWVNL-OAHLLOKOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001267602543 898721344 /nfs/dbraw/zinc/72/13/44/898721344.db2.gz CUFQUZDGZAWVNL-OAHLLOKOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001267777917 899701816 /nfs/dbraw/zinc/70/18/16/899701816.db2.gz VIVIFFZSMAYZDM-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001267777917 899701826 /nfs/dbraw/zinc/70/18/26/899701826.db2.gz VIVIFFZSMAYZDM-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001267777917 899701832 /nfs/dbraw/zinc/70/18/32/899701832.db2.gz VIVIFFZSMAYZDM-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001267948367 900025405 /nfs/dbraw/zinc/02/54/05/900025405.db2.gz BDRRXFDABGIXLA-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C(C)C ZINC001481350338 900475793 /nfs/dbraw/zinc/47/57/93/900475793.db2.gz LCHYHZXUDBDDDJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001481350338 900475795 /nfs/dbraw/zinc/47/57/95/900475795.db2.gz LCHYHZXUDBDDDJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001481350338 900475798 /nfs/dbraw/zinc/47/57/98/900475798.db2.gz LCHYHZXUDBDDDJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001481530724 901083189 /nfs/dbraw/zinc/08/31/89/901083189.db2.gz RIAJQFSJBVRLTC-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001481530399 901085337 /nfs/dbraw/zinc/08/53/37/901085337.db2.gz RLCIPRRFKNEYFO-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001567741996 1168944486 /nfs/dbraw/zinc/94/44/86/1168944486.db2.gz KAMNPCHDJSRMKW-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001567741996 1168944494 /nfs/dbraw/zinc/94/44/94/1168944494.db2.gz KAMNPCHDJSRMKW-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001567741996 1168944499 /nfs/dbraw/zinc/94/44/99/1168944499.db2.gz KAMNPCHDJSRMKW-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001567744233 1168945732 /nfs/dbraw/zinc/94/57/32/1168945732.db2.gz FMNBMPKNMFWRSY-HNNXBMFYSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001567742834 1168947106 /nfs/dbraw/zinc/94/71/06/1168947106.db2.gz VIYBOQJUCXGNOE-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268247454 901659183 /nfs/dbraw/zinc/65/91/83/901659183.db2.gz LXMLVOQRIRYVQI-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001268247454 901659188 /nfs/dbraw/zinc/65/91/88/901659188.db2.gz LXMLVOQRIRYVQI-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001268247454 901659197 /nfs/dbraw/zinc/65/91/97/901659197.db2.gz LXMLVOQRIRYVQI-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001481677530 901776525 /nfs/dbraw/zinc/77/65/25/901776525.db2.gz HEBYVUAPBNAXFY-HRCADAONSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268424377 902037363 /nfs/dbraw/zinc/03/73/63/902037363.db2.gz OUCDBMKKQYRVQW-CABCVRRESA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268424377 902037375 /nfs/dbraw/zinc/03/73/75/902037375.db2.gz OUCDBMKKQYRVQW-CABCVRRESA-N 2 1 297.443 1.158 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001481835016 902192147 /nfs/dbraw/zinc/19/21/47/902192147.db2.gz LYMCHEUARIBPBC-ZDUSSCGKSA-N 2 1 264.373 1.252 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)C1 ZINC001268690993 902970415 /nfs/dbraw/zinc/97/04/15/902970415.db2.gz XTUJGWBZWLWJJW-GRAKBVBRSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CC(C)C1 ZINC001268690993 902970424 /nfs/dbraw/zinc/97/04/24/902970424.db2.gz XTUJGWBZWLWJJW-GRAKBVBRSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001268759845 903094949 /nfs/dbraw/zinc/09/49/49/903094949.db2.gz PBWODGVHZZATTP-GOEBONIOSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001268759845 903094955 /nfs/dbraw/zinc/09/49/55/903094955.db2.gz PBWODGVHZZATTP-GOEBONIOSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001269275588 903640461 /nfs/dbraw/zinc/64/04/61/903640461.db2.gz TWUIRIRMURKKNV-CQSZACIVSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269332013 903703466 /nfs/dbraw/zinc/70/34/66/903703466.db2.gz MNOBWDDGBCDFQN-CABCVRRESA-N 2 1 291.439 1.627 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001269798499 904119344 /nfs/dbraw/zinc/11/93/44/904119344.db2.gz MWKDKUHUZJSRPZ-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482282559 904562434 /nfs/dbraw/zinc/56/24/34/904562434.db2.gz AHJVIDWHATZAIN-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606287 907873389 /nfs/dbraw/zinc/87/33/89/907873389.db2.gz NBZTVWWBKYOZIF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001482606287 907873412 /nfs/dbraw/zinc/87/34/12/907873412.db2.gz NBZTVWWBKYOZIF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001482606287 907873423 /nfs/dbraw/zinc/87/34/23/907873423.db2.gz NBZTVWWBKYOZIF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001482606287 907873436 /nfs/dbraw/zinc/87/34/36/907873436.db2.gz NBZTVWWBKYOZIF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606284 907876088 /nfs/dbraw/zinc/87/60/88/907876088.db2.gz NBZTVWWBKYOZIF-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001482606284 907876103 /nfs/dbraw/zinc/87/61/03/907876103.db2.gz NBZTVWWBKYOZIF-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001482606284 907876117 /nfs/dbraw/zinc/87/61/17/907876117.db2.gz NBZTVWWBKYOZIF-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001482606284 907876131 /nfs/dbraw/zinc/87/61/31/907876131.db2.gz NBZTVWWBKYOZIF-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001482696952 908293058 /nfs/dbraw/zinc/29/30/58/908293058.db2.gz YMBQAEUOWWIMLZ-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001567977102 1169103984 /nfs/dbraw/zinc/10/39/84/1169103984.db2.gz QADLMVMGHJPPHA-UONOGXRCSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568059758 1169129518 /nfs/dbraw/zinc/12/95/18/1169129518.db2.gz ADEJURZZVOKLHM-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072183 915393435 /nfs/dbraw/zinc/39/34/35/915393435.db2.gz RNDPAZWQXQWBFJ-KRWDZBQOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001484161692 915484499 /nfs/dbraw/zinc/48/44/99/915484499.db2.gz YHKIUMQHBVNPLL-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001484161692 915484510 /nfs/dbraw/zinc/48/45/10/915484510.db2.gz YHKIUMQHBVNPLL-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001484161692 915484519 /nfs/dbraw/zinc/48/45/19/915484519.db2.gz YHKIUMQHBVNPLL-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001484175684 915489655 /nfs/dbraw/zinc/48/96/55/915489655.db2.gz SUMOHZHSMCAVKY-OAHLLOKOSA-N 2 1 276.384 1.357 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001484372466 915686987 /nfs/dbraw/zinc/68/69/87/915686987.db2.gz SLNIJQVILMFYIA-DZGCQCFKSA-N 2 1 290.411 1.452 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484513771 915837987 /nfs/dbraw/zinc/83/79/87/915837987.db2.gz UHIPJRDIXYAYTQ-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001568178657 1169163413 /nfs/dbraw/zinc/16/34/13/1169163413.db2.gz FRQYCSLMENWJFK-AWEZNQCLSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001484652406 915996547 /nfs/dbraw/zinc/99/65/47/915996547.db2.gz BOVVMJJUJZWGPA-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001484747257 916133388 /nfs/dbraw/zinc/13/33/88/916133388.db2.gz OFOMVWKXUTVMSG-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484747257 916133397 /nfs/dbraw/zinc/13/33/97/916133397.db2.gz OFOMVWKXUTVMSG-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001484747257 916133402 /nfs/dbraw/zinc/13/34/02/916133402.db2.gz OFOMVWKXUTVMSG-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001484904854 916257771 /nfs/dbraw/zinc/25/77/71/916257771.db2.gz BZSBBHBNQBYVKN-GXTWGEPZSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCc2cncn2C)CC1 ZINC001273465831 916547516 /nfs/dbraw/zinc/54/75/16/916547516.db2.gz MKTSHUAXIJYMNO-CQSZACIVSA-N 2 1 290.411 1.509 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001485157394 916611586 /nfs/dbraw/zinc/61/15/86/916611586.db2.gz KZKIWJHZTCPDKZ-NEPJUHHUSA-N 2 1 287.835 1.706 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568311984 1169239906 /nfs/dbraw/zinc/23/99/06/1169239906.db2.gz FOAGUIGCIUFCCV-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001273122142 922110062 /nfs/dbraw/zinc/11/00/62/922110062.db2.gz NEMHSHWMLUSUFF-UHFFFAOYSA-N 2 1 276.384 1.396 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001491069241 936850531 /nfs/dbraw/zinc/85/05/31/936850531.db2.gz GGGLWUMRZZNXDO-QXSJWSMHSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001488918920 926753486 /nfs/dbraw/zinc/75/34/86/926753486.db2.gz ZDCHGPHFDQDTAM-XHSDSOJGSA-N 2 1 293.455 1.921 10 30 CDEEMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OCC#N)cc1 ZINC000863540523 929567536 /nfs/dbraw/zinc/56/75/36/929567536.db2.gz FLHNDPRZHCQYAO-CYBMUJFWSA-N 2 1 289.379 1.747 10 30 CDEEMP C=CCO[C@@H]1CC[NH+](CCC[N@@H+]2CC[C@H](OCC=C)C2)C1 ZINC001320038359 931495771 /nfs/dbraw/zinc/49/57/71/931495771.db2.gz QSXFGUDIHMKCFH-CALCHBBNSA-N 2 1 294.439 1.930 10 30 CDEEMP C=CCO[C@@H]1CC[N@@H+](CCC[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320038359 931495772 /nfs/dbraw/zinc/49/57/72/931495772.db2.gz QSXFGUDIHMKCFH-CALCHBBNSA-N 2 1 294.439 1.930 10 30 CDEEMP C=CCO[C@@H]1CC[N@H+](CCC[NH+]2CC[C@H](OCC=C)C2)C1 ZINC001320038359 931495774 /nfs/dbraw/zinc/49/57/74/931495774.db2.gz QSXFGUDIHMKCFH-CALCHBBNSA-N 2 1 294.439 1.930 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001275233082 931707921 /nfs/dbraw/zinc/70/79/21/931707921.db2.gz NOCNSSJDLPTFFM-XSCHDIRWSA-N 2 1 279.428 1.387 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001275310047 931731314 /nfs/dbraw/zinc/73/13/14/931731314.db2.gz XSRKHKVGTCWXKZ-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001275334989 931737151 /nfs/dbraw/zinc/73/71/51/931737151.db2.gz WCZCOTFUHNRUFM-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)COC1CC[NH+](C)CC1 ZINC001568554233 1169365875 /nfs/dbraw/zinc/36/58/75/1169365875.db2.gz KZBLMCGJZYFMRB-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001276327242 935012500 /nfs/dbraw/zinc/01/25/00/935012500.db2.gz SMODKZRQQVRUGE-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC001568640831 1169410745 /nfs/dbraw/zinc/41/07/45/1169410745.db2.gz KBBYISUGDLMWJE-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+]1C[C@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001276586301 940384722 /nfs/dbraw/zinc/38/47/22/940384722.db2.gz GPKKCXCEOKZOPF-AWEZNQCLSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CCC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001276586301 940384724 /nfs/dbraw/zinc/38/47/24/940384724.db2.gz GPKKCXCEOKZOPF-AWEZNQCLSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CCC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001276586301 940384725 /nfs/dbraw/zinc/38/47/25/940384725.db2.gz GPKKCXCEOKZOPF-AWEZNQCLSA-N 2 1 290.411 1.745 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001277193463 942157522 /nfs/dbraw/zinc/15/75/22/942157522.db2.gz HDQASBSIHISISC-OWCLPIDISA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001280884270 942502568 /nfs/dbraw/zinc/50/25/68/942502568.db2.gz XXLSAETUADACHF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001280884270 942502571 /nfs/dbraw/zinc/50/25/71/942502571.db2.gz XXLSAETUADACHF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001280884270 942502575 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10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001264623552 944153553 /nfs/dbraw/zinc/15/35/53/944153553.db2.gz FUHVPDSZMQFFLU-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001264623552 944153555 /nfs/dbraw/zinc/15/35/55/944153555.db2.gz FUHVPDSZMQFFLU-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266050664 944654273 /nfs/dbraw/zinc/65/42/73/944654273.db2.gz CUFKBFDQPYXEIX-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266050664 944654280 /nfs/dbraw/zinc/65/42/80/944654280.db2.gz CUFKBFDQPYXEIX-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266050664 944654286 /nfs/dbraw/zinc/65/42/86/944654286.db2.gz CUFKBFDQPYXEIX-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001266145213 944712936 /nfs/dbraw/zinc/71/29/36/944712936.db2.gz 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C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001317863125 957699836 /nfs/dbraw/zinc/69/98/36/957699836.db2.gz KUYYYQGFTNSIEA-MRXNPFEDSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318169727 957952948 /nfs/dbraw/zinc/95/29/48/957952948.db2.gz SLQVCUBUFGANIK-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001318277202 958011452 /nfs/dbraw/zinc/01/14/52/958011452.db2.gz YJTQONBSQVOFEX-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001318928232 958308097 /nfs/dbraw/zinc/30/80/97/958308097.db2.gz FQFZSWOSDFWPIJ-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001319231717 958446623 /nfs/dbraw/zinc/44/66/23/958446623.db2.gz WZSCZAUITWSZTR-GJZGRUSLSA-N 2 1 281.444 1.636 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320564901 959243898 /nfs/dbraw/zinc/24/38/98/959243898.db2.gz UMUVDTMQOWDBBA-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(Cl)C[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001436672197 962334722 /nfs/dbraw/zinc/33/47/22/962334722.db2.gz HIIXVMRAMAPSJZ-UHFFFAOYSA-N 2 1 287.835 1.613 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001495662330 972584087 /nfs/dbraw/zinc/58/40/87/972584087.db2.gz QULSCSLUXHSGQH-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001497884749 973565877 /nfs/dbraw/zinc/56/58/77/973565877.db2.gz CZVORRTXPSGTHR-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001569709611 1169971358 /nfs/dbraw/zinc/97/13/58/1169971358.db2.gz XMIZDTPISAYEKF-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001499012733 974160317 /nfs/dbraw/zinc/16/03/17/974160317.db2.gz LSQLBBJUAQPNLJ-OAHLLOKOSA-N 2 1 291.439 1.772 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001502246446 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C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001674938218 1174041154 /nfs/dbraw/zinc/04/11/54/1174041154.db2.gz KACCHJMJNQIVFC-CQSZACIVSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001569914640 1170037919 /nfs/dbraw/zinc/03/79/19/1170037919.db2.gz IERUXVKCECUSJK-GJZGRUSLSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569914640 1170037925 /nfs/dbraw/zinc/03/79/25/1170037925.db2.gz IERUXVKCECUSJK-GJZGRUSLSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569914640 1170037931 /nfs/dbraw/zinc/03/79/31/1170037931.db2.gz IERUXVKCECUSJK-GJZGRUSLSA-N 2 1 277.412 1.025 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570349019 1170139255 /nfs/dbraw/zinc/13/92/55/1170139255.db2.gz KLXZIITWTUJMLD-ZFWWWQNUSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001570854120 1170303011 /nfs/dbraw/zinc/30/30/11/1170303011.db2.gz PMFNNQKCBGOKFM-CYBMUJFWSA-N 2 1 279.428 1.034 10 30 CDEEMP C#CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001570854120 1170303019 /nfs/dbraw/zinc/30/30/19/1170303019.db2.gz PMFNNQKCBGOKFM-CYBMUJFWSA-N 2 1 279.428 1.034 10 30 CDEEMP C[N@H+]1CCC[C@@H]2CN(Cc3ccncc3C#N)CC[C@H]21 ZINC000592073547 342663799 /nfs/dbraw/zinc/66/37/99/342663799.db2.gz GVLSZHQHIKUDSX-GDBMZVCRSA-N 2 1 270.380 1.869 10 30 CDEEMP N#Cc1cnccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000592491858 342696342 /nfs/dbraw/zinc/69/63/42/342696342.db2.gz LJPQQUJHZARERG-BETUJISGSA-N 2 1 256.353 1.385 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000592493898 342696646 /nfs/dbraw/zinc/69/66/46/342696646.db2.gz IAXCHCOTZIGMHZ-MRXNPFEDSA-N 2 1 270.380 1.917 10 30 CDEEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439245 342906480 /nfs/dbraw/zinc/90/64/80/342906480.db2.gz UMHGTAMISBUNAV-HZSPNIEDSA-N 2 1 278.400 1.093 10 30 CDEEMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594499774 342914214 /nfs/dbraw/zinc/91/42/14/342914214.db2.gz JJNVLUVVIUGCKR-QGZVFWFLSA-N 2 1 287.407 1.644 10 30 CDEEMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C(C)(C)C#N)cc2)C1 ZINC000594499774 342914215 /nfs/dbraw/zinc/91/42/15/342914215.db2.gz JJNVLUVVIUGCKR-QGZVFWFLSA-N 2 1 287.407 1.644 10 30 CDEEMP Cc1cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc(C#N)n1 ZINC000596362848 343311073 /nfs/dbraw/zinc/31/10/73/343311073.db2.gz OWJJXRXDXTULDD-AWEZNQCLSA-N 2 1 289.427 1.368 10 30 CDEEMP Cc1ccnc(NCC[N@@H+](C)CCC[NH+](C)C)c1C#N ZINC000596425177 343312025 /nfs/dbraw/zinc/31/20/25/343312025.db2.gz OJJIPULLWPCCSE-UHFFFAOYSA-N 2 1 275.400 1.557 10 30 CDEEMP Cc1ccnc(NCC[N@H+](C)CCC[NH+](C)C)c1C#N ZINC000596425177 343312027 /nfs/dbraw/zinc/31/20/27/343312027.db2.gz OJJIPULLWPCCSE-UHFFFAOYSA-N 2 1 275.400 1.557 10 30 CDEEMP Cc1cc(NC[C@@H]2CCc3[nH+]ccn3C2)c(C#N)c(C)n1 ZINC000328624732 351305802 /nfs/dbraw/zinc/30/58/02/351305802.db2.gz KCQDDXFKPMMADM-ZDUSSCGKSA-N 2 1 281.363 1.863 10 30 CDEEMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1C#N ZINC000234924948 359006767 /nfs/dbraw/zinc/00/67/67/359006767.db2.gz WSRZJLAPXVXMJF-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1C#N ZINC000234924948 359006773 /nfs/dbraw/zinc/00/67/73/359006773.db2.gz WSRZJLAPXVXMJF-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1C#N ZINC000234924948 359006777 /nfs/dbraw/zinc/00/67/77/359006777.db2.gz WSRZJLAPXVXMJF-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1C#N ZINC000234924948 359006784 /nfs/dbraw/zinc/00/67/84/359006784.db2.gz WSRZJLAPXVXMJF-CQSZACIVSA-N 2 1 273.380 1.950 10 30 CDEEMP C=CCC[C@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000305067432 370839171 /nfs/dbraw/zinc/83/91/71/370839171.db2.gz IFYXMUMBLUOFFI-IRXDYDNUSA-N 2 1 295.471 1.415 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001664893695 1172922988 /nfs/dbraw/zinc/92/29/88/1172922988.db2.gz FLJJKZWCFKWRMY-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665484177 1173004235 /nfs/dbraw/zinc/00/42/35/1173004235.db2.gz ADVLTUYXDAHFCU-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH+]1CCC(NC[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000037233314 173052030 /nfs/dbraw/zinc/05/20/30/173052030.db2.gz CPALLDLASCIJOA-HNNXBMFYSA-N 2 1 251.418 1.260 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000662090342 414508679 /nfs/dbraw/zinc/50/86/79/414508679.db2.gz NOSIAPSOTMJISQ-ZNMIVQPWSA-N 2 1 250.386 1.625 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@H+](C)C1CC1 ZINC000662090342 414508683 /nfs/dbraw/zinc/50/86/83/414508683.db2.gz NOSIAPSOTMJISQ-ZNMIVQPWSA-N 2 1 250.386 1.625 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C[NH+](C)C1CC1 ZINC000662090342 414508686 /nfs/dbraw/zinc/50/86/86/414508686.db2.gz NOSIAPSOTMJISQ-ZNMIVQPWSA-N 2 1 250.386 1.625 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C[NH+](C)C1CC1 ZINC000662090342 414508690 /nfs/dbraw/zinc/50/86/90/414508690.db2.gz NOSIAPSOTMJISQ-ZNMIVQPWSA-N 2 1 250.386 1.625 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043427213 175040740 /nfs/dbraw/zinc/04/07/40/175040740.db2.gz PDBSRMCNKCJUFI-DLBZAZTESA-N 2 1 270.376 1.750 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043427213 175040742 /nfs/dbraw/zinc/04/07/42/175040742.db2.gz PDBSRMCNKCJUFI-DLBZAZTESA-N 2 1 270.376 1.750 10 30 CDEEMP CN[C@](C)(C#N)CCCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311141 175356833 /nfs/dbraw/zinc/35/68/33/175356833.db2.gz CXPZDYQUZPNZSK-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC=C)C(C)C ZINC001667470367 1173273103 /nfs/dbraw/zinc/27/31/03/1173273103.db2.gz ZWFZVTFNMJZGEV-HOTGVXAUSA-N 2 1 291.439 1.391 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC=C)C(C)C ZINC001667470367 1173273108 /nfs/dbraw/zinc/27/31/08/1173273108.db2.gz ZWFZVTFNMJZGEV-HOTGVXAUSA-N 2 1 291.439 1.391 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001669040698 1173496997 /nfs/dbraw/zinc/49/69/97/1173496997.db2.gz ZXSPOWGOBBFLAT-CMDGGOBGSA-N 2 1 279.428 1.250 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001673151528 1173829918 /nfs/dbraw/zinc/82/99/18/1173829918.db2.gz BWFZYRLDVIZXEF-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267114474 1159127172 /nfs/dbraw/zinc/12/71/72/1159127172.db2.gz GJOSLJNWNQFNPS-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C[C@@H]1C[NH+]=C(NCCc2[nH+]ccn2Cc2ccccc2)N1 ZINC000262199485 330001835 /nfs/dbraw/zinc/00/18/35/330001835.db2.gz ANUATDUEUJQWLQ-CYBMUJFWSA-N 2 1 283.379 1.411 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001750936628 1159202652 /nfs/dbraw/zinc/20/26/52/1159202652.db2.gz IOIOPVXBKUVHHA-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001750936628 1159202655 /nfs/dbraw/zinc/20/26/55/1159202655.db2.gz IOIOPVXBKUVHHA-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001750936628 1159202658 /nfs/dbraw/zinc/20/26/58/1159202658.db2.gz IOIOPVXBKUVHHA-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001700882826 1177177568 /nfs/dbraw/zinc/17/75/68/1177177568.db2.gz PBEHDBLQZFYKBT-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001700989423 1177228163 /nfs/dbraw/zinc/22/81/63/1177228163.db2.gz YUAHHNZVIVHKHJ-CQSZACIVSA-N 2 1 279.428 1.224 10 30 CDEEMP CCN[C@](C)(C#N)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616254 520225597 /nfs/dbraw/zinc/22/55/97/520225597.db2.gz HWKAEDOMWUHVBC-ZBFHGGJFSA-N 2 1 280.460 1.930 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001484167692 1161256854 /nfs/dbraw/zinc/25/68/54/1161256854.db2.gz GOFJPMKZVGWINJ-WBVHZDCISA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691650004 1161334604 /nfs/dbraw/zinc/33/46/04/1161334604.db2.gz UPWDQACFOKXMOZ-CQSZACIVSA-N 2 1 276.384 1.300 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691650004 1161334609 /nfs/dbraw/zinc/33/46/09/1161334609.db2.gz UPWDQACFOKXMOZ-CQSZACIVSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001691670861 1161487145 /nfs/dbraw/zinc/48/71/45/1161487145.db2.gz VFLDUWFUQSAKBT-HNNXBMFYSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001691670861 1161487149 /nfs/dbraw/zinc/48/71/49/1161487149.db2.gz VFLDUWFUQSAKBT-HNNXBMFYSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001725148150 1181882679 /nfs/dbraw/zinc/88/26/79/1181882679.db2.gz PVNIAIASEUDGRG-CQSZACIVSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C ZINC001732810104 1183133273 /nfs/dbraw/zinc/13/32/73/1183133273.db2.gz FWXHADXOPUJFOJ-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP CCc1[nH+]ccn1Cc1ccc(C#CC[NH3+])cc1F ZINC000049610285 522586602 /nfs/dbraw/zinc/58/66/02/522586602.db2.gz JFSGJKQASYPCTG-UHFFFAOYSA-N 2 1 257.312 1.943 10 30 CDEEMP Cc1[nH+]ccn1CCOc1cccc(C#CC[NH3+])c1 ZINC000049331328 527434420 /nfs/dbraw/zinc/43/44/20/527434420.db2.gz WKXRIOFCRSUMNX-UHFFFAOYSA-N 2 1 255.321 1.581 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@@H]1C ZINC001684869866 1174663467 /nfs/dbraw/zinc/66/34/67/1174663467.db2.gz QNOVIXYAHRUVAF-GJZGRUSLSA-N 2 1 294.443 1.066 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001690278232 1175420978 /nfs/dbraw/zinc/42/09/78/1175420978.db2.gz BASAHRUIQCLXMV-RBSFLKMASA-N 2 1 277.412 1.121 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002243 613224981 /nfs/dbraw/zinc/22/49/81/613224981.db2.gz FHQYQAGYIIFFLC-OAHLLOKOSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214910 613327704 /nfs/dbraw/zinc/32/77/04/613327704.db2.gz GLMMSPJVYVBTFF-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000900788132 623485297 /nfs/dbraw/zinc/48/52/97/623485297.db2.gz VDFAIQLIRZQNQX-AWEZNQCLSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000901104594 623887144 /nfs/dbraw/zinc/88/71/44/623887144.db2.gz NCLBMEFKAWIARU-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000901273450 624060447 /nfs/dbraw/zinc/06/04/47/624060447.db2.gz WVORLCDRWYKGTK-ZIAGYGMSSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000901284301 624110371 /nfs/dbraw/zinc/11/03/71/624110371.db2.gz ADFIONKAXPAIHF-OLZOCXBDSA-N 2 1 253.390 1.045 10 30 CDEEMP C=C[C@H]1CCCC[N@@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914765 626134264 /nfs/dbraw/zinc/13/42/64/626134264.db2.gz VWNYLXPDTUAXFD-HOCLYGCPSA-N 2 1 276.428 1.886 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905099243 626619619 /nfs/dbraw/zinc/61/96/19/626619619.db2.gz ZRRBOKOMAIKACX-OAHLLOKOSA-N 2 1 282.428 1.283 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001670724873 1158727993 /nfs/dbraw/zinc/72/79/93/1158727993.db2.gz QUFUVFTVZAKYPU-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001266444999 1158546921 /nfs/dbraw/zinc/54/69/21/1158546921.db2.gz IWYYQZDQIIYZOX-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001266559649 1158622676 /nfs/dbraw/zinc/62/26/76/1158622676.db2.gz HWGOXKIWMKNFFQ-IRXDYDNUSA-N 2 1 299.418 1.503 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001268427563 1159935654 /nfs/dbraw/zinc/93/56/54/1159935654.db2.gz FLSDPTMICAZFRN-OAHLLOKOSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268427563 1159935657 /nfs/dbraw/zinc/93/56/57/1159935657.db2.gz FLSDPTMICAZFRN-OAHLLOKOSA-N 2 1 287.407 1.236 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001272033365 1160478986 /nfs/dbraw/zinc/47/89/86/1160478986.db2.gz INARYXUWPJRGQX-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)CCc1c[nH]cn1)C1CC1 ZINC001566588157 1168347530 /nfs/dbraw/zinc/34/75/30/1168347530.db2.gz FXKYMHKAQBOUOP-UHFFFAOYSA-N 2 1 288.395 1.336 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054332 1168537298 /nfs/dbraw/zinc/53/72/98/1168537298.db2.gz PSQVLJJGCPWOIP-CZUORRHYSA-N 2 1 299.434 1.869 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001649445259 1169257639 /nfs/dbraw/zinc/25/76/39/1169257639.db2.gz JPHMCEAJHWNWIJ-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001569823617 1170006807 /nfs/dbraw/zinc/00/68/07/1170006807.db2.gz HNAUAXIEUFKUJQ-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570018633 1170059675 /nfs/dbraw/zinc/05/96/75/1170059675.db2.gz HCQHTWBWXRYVGB-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001570719702 1170253630 /nfs/dbraw/zinc/25/36/30/1170253630.db2.gz CTQXJTJJYOMCIF-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570719702 1170253637 /nfs/dbraw/zinc/25/36/37/1170253637.db2.gz CTQXJTJJYOMCIF-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570719702 1170253639 /nfs/dbraw/zinc/25/36/39/1170253639.db2.gz CTQXJTJJYOMCIF-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001667203898 1173245016 /nfs/dbraw/zinc/24/50/16/1173245016.db2.gz MQPQIMPCAABEHO-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001668062062 1173365040 /nfs/dbraw/zinc/36/50/40/1173365040.db2.gz ZBLRLXCDJNUCRN-KBPBESRZSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001673390920 1173852842 /nfs/dbraw/zinc/85/28/42/1173852842.db2.gz IRRBLMWXWSOYRM-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001674157022 1173920562 /nfs/dbraw/zinc/92/05/62/1173920562.db2.gz YRIFCVOCMFWSAN-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001674157022 1173920566 /nfs/dbraw/zinc/92/05/66/1173920566.db2.gz YRIFCVOCMFWSAN-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001674157022 1173920570 /nfs/dbraw/zinc/92/05/70/1173920570.db2.gz YRIFCVOCMFWSAN-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 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C#CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001732184685 1182838367 /nfs/dbraw/zinc/83/83/67/1182838367.db2.gz IMVDJIIFRMTDPZ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001732184685 1182838374 /nfs/dbraw/zinc/83/83/74/1182838374.db2.gz IMVDJIIFRMTDPZ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001732547293 1183002502 /nfs/dbraw/zinc/00/25/02/1183002502.db2.gz MLRXPPLSPQCLRP-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001732570206 1183014455 /nfs/dbraw/zinc/01/44/55/1183014455.db2.gz JXSMLXUGOLFUPY-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001733049696 1183263772 /nfs/dbraw/zinc/26/37/72/1183263772.db2.gz LUCWGLBOWVNMGH-OCCSQVGLSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001733049696 1183263773 /nfs/dbraw/zinc/26/37/73/1183263773.db2.gz LUCWGLBOWVNMGH-OCCSQVGLSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001733222331 1183349306 /nfs/dbraw/zinc/34/93/06/1183349306.db2.gz AGENVLXWVPWTQQ-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001733414255 1183425820 /nfs/dbraw/zinc/42/58/20/1183425820.db2.gz VWVRLLXGEAPNGL-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001733414255 1183425821 /nfs/dbraw/zinc/42/58/21/1183425821.db2.gz VWVRLLXGEAPNGL-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001733414255 1183425822 /nfs/dbraw/zinc/42/58/22/1183425822.db2.gz VWVRLLXGEAPNGL-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001733843260 1183547039 /nfs/dbraw/zinc/54/70/39/1183547039.db2.gz AFUCYVPZEYKJPG-GOEBONIOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001733852832 1183550638 /nfs/dbraw/zinc/55/06/38/1183550638.db2.gz WGCLUDCJDAFUOV-LSDHHAIUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733931141 1183574306 /nfs/dbraw/zinc/57/43/06/1183574306.db2.gz WMKCVCVUUBKKQQ-CVEARBPZSA-N 2 1 291.439 1.437 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001734575599 1183831191 /nfs/dbraw/zinc/83/11/91/1183831191.db2.gz SBEVPNDBSRECIN-CQSZACIVSA-N 2 1 281.444 1.472 10 30 CDEEMP CN(C)c1ccc(/C=C/C=[NH+]N2CC[NH+](C)CC2)cc1 ZINC000834913859 712286237 /nfs/dbraw/zinc/28/62/37/712286237.db2.gz IGANCGPJMLXZRE-FSACXLEHSA-N 2 1 272.396 1.999 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876729215 712377957 /nfs/dbraw/zinc/37/79/57/712377957.db2.gz HTNAXFXTPHUWHW-QJPTWQEYSA-N 2 1 271.792 1.199 10 30 CDEEMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1CCCC[C@H]1C ZINC000261719881 712462318 /nfs/dbraw/zinc/46/23/18/712462318.db2.gz FQRLOVNUCNHXGT-RDBSUJKOSA-N 2 1 282.432 1.333 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876956908 712757054 /nfs/dbraw/zinc/75/70/54/712757054.db2.gz RJMZDXHJHRHHTP-XQQFMLRXSA-N 2 1 285.819 1.589 10 30 CDEEMP C=CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000820069474 712794655 /nfs/dbraw/zinc/79/46/55/712794655.db2.gz YAIKGUNNODOPGD-HNNXBMFYSA-N 2 1 298.475 1.864 10 30 CDEEMP C=CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000820069474 712794658 /nfs/dbraw/zinc/79/46/58/712794658.db2.gz YAIKGUNNODOPGD-HNNXBMFYSA-N 2 1 298.475 1.864 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001691748386 1167357580 /nfs/dbraw/zinc/35/75/80/1167357580.db2.gz NXSIKOCLEQHJTH-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001691748386 1167357585 /nfs/dbraw/zinc/35/75/85/1167357585.db2.gz NXSIKOCLEQHJTH-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001691748386 1167357587 /nfs/dbraw/zinc/35/75/87/1167357587.db2.gz NXSIKOCLEQHJTH-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566555230 1168334002 /nfs/dbraw/zinc/33/40/02/1168334002.db2.gz SVELVWCRFJNCMN-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001566555230 1168334007 /nfs/dbraw/zinc/33/40/07/1168334007.db2.gz SVELVWCRFJNCMN-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001566555230 1168334012 /nfs/dbraw/zinc/33/40/12/1168334012.db2.gz SVELVWCRFJNCMN-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001566682546 1168387775 /nfs/dbraw/zinc/38/77/75/1168387775.db2.gz DEJNHSDOXCIUGJ-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566682546 1168387783 /nfs/dbraw/zinc/38/77/83/1168387783.db2.gz DEJNHSDOXCIUGJ-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566682546 1168387789 /nfs/dbraw/zinc/38/77/89/1168387789.db2.gz DEJNHSDOXCIUGJ-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001567017331 1168511817 /nfs/dbraw/zinc/51/18/17/1168511817.db2.gz YXVOMMAPGCROOI-UONOGXRCSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001272292593 912713646 /nfs/dbraw/zinc/71/36/46/912713646.db2.gz WRCYOSAFTCSENE-GJZGRUSLSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001567324347 1168680640 /nfs/dbraw/zinc/68/06/40/1168680640.db2.gz LLUVWBNOMJYHLX-UHFFFAOYSA-N 2 1 267.417 1.487 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567329133 1168684350 /nfs/dbraw/zinc/68/43/50/1168684350.db2.gz VPSUKNWCLLXPDB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001567329133 1168684353 /nfs/dbraw/zinc/68/43/53/1168684353.db2.gz VPSUKNWCLLXPDB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001567329133 1168684357 /nfs/dbraw/zinc/68/43/57/1168684357.db2.gz VPSUKNWCLLXPDB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001567400936 1168734612 /nfs/dbraw/zinc/73/46/12/1168734612.db2.gz WQECTKIPSGYJJA-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567403534 1168737842 /nfs/dbraw/zinc/73/78/42/1168737842.db2.gz PLPWMYYVYDCLKF-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567403534 1168737853 /nfs/dbraw/zinc/73/78/53/1168737853.db2.gz PLPWMYYVYDCLKF-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567403534 1168737859 /nfs/dbraw/zinc/73/78/59/1168737859.db2.gz PLPWMYYVYDCLKF-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C1 ZINC001266599412 895504045 /nfs/dbraw/zinc/50/40/45/895504045.db2.gz KEZRKCQAGJAJNE-JYJNAYRXSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCC(C)C)C1 ZINC001266599412 895504055 /nfs/dbraw/zinc/50/40/55/895504055.db2.gz KEZRKCQAGJAJNE-JYJNAYRXSA-N 2 1 291.439 1.367 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266751971 895972908 /nfs/dbraw/zinc/97/29/08/895972908.db2.gz MAVYKXDKLOTKQI-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266948473 896412535 /nfs/dbraw/zinc/41/25/35/896412535.db2.gz JBEOVKXQUHMTEU-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001267173641 897004059 /nfs/dbraw/zinc/00/40/59/897004059.db2.gz BIHRXMBRSSNYRE-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001267307159 897547804 /nfs/dbraw/zinc/54/78/04/897547804.db2.gz MQPHKRYASCICBZ-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001267307159 897547818 /nfs/dbraw/zinc/54/78/18/897547818.db2.gz MQPHKRYASCICBZ-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001267307159 897547833 /nfs/dbraw/zinc/54/78/33/897547833.db2.gz MQPHKRYASCICBZ-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267594244 898638429 /nfs/dbraw/zinc/63/84/29/898638429.db2.gz BSAYPXGPGRNGRS-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267594244 898638436 /nfs/dbraw/zinc/63/84/36/898638436.db2.gz BSAYPXGPGRNGRS-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267594244 898638445 /nfs/dbraw/zinc/63/84/45/898638445.db2.gz BSAYPXGPGRNGRS-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[N@H+](CCC)CCNC(=O)Cn1c[nH+]cc1C ZINC001481142075 898971291 /nfs/dbraw/zinc/97/12/91/898971291.db2.gz RYAUEYVNUWYGDF-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)Cn1c[nH+]cc1C ZINC001481142075 898971297 /nfs/dbraw/zinc/97/12/97/898971297.db2.gz RYAUEYVNUWYGDF-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267634964 899107605 /nfs/dbraw/zinc/10/76/05/899107605.db2.gz XWWLHNWRFQNVQS-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267634964 899107612 /nfs/dbraw/zinc/10/76/12/899107612.db2.gz XWWLHNWRFQNVQS-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001267650418 899168918 /nfs/dbraw/zinc/16/89/18/899168918.db2.gz MQKFSNZQXVKGDT-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001267650418 899168920 /nfs/dbraw/zinc/16/89/20/899168920.db2.gz MQKFSNZQXVKGDT-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267702342 899324782 /nfs/dbraw/zinc/32/47/82/899324782.db2.gz FWPCSSJSGVYCAF-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267702342 899324789 /nfs/dbraw/zinc/32/47/89/899324789.db2.gz FWPCSSJSGVYCAF-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267702342 899324803 /nfs/dbraw/zinc/32/48/03/899324803.db2.gz FWPCSSJSGVYCAF-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481447754 900692089 /nfs/dbraw/zinc/69/20/89/900692089.db2.gz SZBKANZYQURJIC-OAHLLOKOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481507118 900959518 /nfs/dbraw/zinc/95/95/18/900959518.db2.gz RNVVDLZROJVJAW-AWEZNQCLSA-N 2 1 276.384 1.158 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481507118 900959529 /nfs/dbraw/zinc/95/95/29/900959529.db2.gz RNVVDLZROJVJAW-AWEZNQCLSA-N 2 1 276.384 1.158 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001481768302 902101133 /nfs/dbraw/zinc/10/11/33/902101133.db2.gz NFYUXBFZABPVGO-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001481768302 902101140 /nfs/dbraw/zinc/10/11/40/902101140.db2.gz NFYUXBFZABPVGO-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001481768302 902101146 /nfs/dbraw/zinc/10/11/46/902101146.db2.gz NFYUXBFZABPVGO-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269522932 903890327 /nfs/dbraw/zinc/89/03/27/903890327.db2.gz WDLKNTNIEIUCPJ-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001269971820 904241377 /nfs/dbraw/zinc/24/13/77/904241377.db2.gz JMPDSGMHRIHTDJ-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001482609675 907899161 /nfs/dbraw/zinc/89/91/61/907899161.db2.gz AWXJLBCDPFRTNR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001482609675 907899175 /nfs/dbraw/zinc/89/91/75/907899175.db2.gz AWXJLBCDPFRTNR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001482609675 907899190 /nfs/dbraw/zinc/89/91/90/907899190.db2.gz AWXJLBCDPFRTNR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001482609675 907899204 /nfs/dbraw/zinc/89/92/04/907899204.db2.gz AWXJLBCDPFRTNR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001482642229 908108082 /nfs/dbraw/zinc/10/80/82/908108082.db2.gz AICQXXNRFLLRCP-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482642229 908108090 /nfs/dbraw/zinc/10/80/90/908108090.db2.gz AICQXXNRFLLRCP-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482642229 908108106 /nfs/dbraw/zinc/10/81/06/908108106.db2.gz AICQXXNRFLLRCP-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001483194525 909955862 /nfs/dbraw/zinc/95/58/62/909955862.db2.gz FLIKZLHKIFFMQE-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484094369 915427985 /nfs/dbraw/zinc/42/79/85/915427985.db2.gz OPJUFOGXACQZHF-RDJZCZTQSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001484382379 915698756 /nfs/dbraw/zinc/69/87/56/915698756.db2.gz XAQYDTMBXRCUDT-JKSUJKDBSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484927039 916273648 /nfs/dbraw/zinc/27/36/48/916273648.db2.gz GSTNRELISMOPDL-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001568191898 1169171212 /nfs/dbraw/zinc/17/12/12/1169171212.db2.gz NIDCQGYDOZFIGF-HOTGVXAUSA-N 2 1 293.455 1.474 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001485311548 916793548 /nfs/dbraw/zinc/79/35/48/916793548.db2.gz BLXQEXRBLZIAKN-CQSZACIVSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCn2cncc2C1 ZINC001485320701 916805300 /nfs/dbraw/zinc/80/53/00/916805300.db2.gz RHWIXQAYKRGHTL-KBPBESRZSA-N 2 1 290.411 1.458 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001568277787 1169219583 /nfs/dbraw/zinc/21/95/83/1169219583.db2.gz GBZACWUXABAVDM-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(C)C ZINC001568277787 1169219593 /nfs/dbraw/zinc/21/95/93/1169219593.db2.gz GBZACWUXABAVDM-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001272837886 919893263 /nfs/dbraw/zinc/89/32/63/919893263.db2.gz MXCQKLXFCVEDNM-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001485922148 920578149 /nfs/dbraw/zinc/57/81/49/920578149.db2.gz HIINYVWPNZBJRE-CQSZACIVSA-N 2 1 283.460 1.977 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001273202166 924590201 /nfs/dbraw/zinc/59/02/01/924590201.db2.gz QXTAAHRLTWNATA-GASCZTMLSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001273771375 925502490 /nfs/dbraw/zinc/50/24/90/925502490.db2.gz FWUKJDQBQWKZCX-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001488699135 926647339 /nfs/dbraw/zinc/64/73/39/926647339.db2.gz NOQXOIQAMFMULS-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001488699135 926647344 /nfs/dbraw/zinc/64/73/44/926647344.db2.gz NOQXOIQAMFMULS-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001488699135 926647347 /nfs/dbraw/zinc/64/73/47/926647347.db2.gz NOQXOIQAMFMULS-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001568476933 1169310284 /nfs/dbraw/zinc/31/02/84/1169310284.db2.gz QJGKUHVNHPVWQN-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568476933 1169310294 /nfs/dbraw/zinc/31/02/94/1169310294.db2.gz QJGKUHVNHPVWQN-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001568476933 1169310301 /nfs/dbraw/zinc/31/03/01/1169310301.db2.gz QJGKUHVNHPVWQN-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274152709 931205142 /nfs/dbraw/zinc/20/51/42/931205142.db2.gz HIDRCFWKZPFRQN-FYCOFBDGSA-N 2 1 291.439 1.392 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276004247 932226888 /nfs/dbraw/zinc/22/68/88/932226888.db2.gz XKSBLAHZMVFPMH-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276004247 932226891 /nfs/dbraw/zinc/22/68/91/932226891.db2.gz XKSBLAHZMVFPMH-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276004246 932227346 /nfs/dbraw/zinc/22/73/46/932227346.db2.gz XKSBLAHZMVFPMH-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276004246 932227351 /nfs/dbraw/zinc/22/73/51/932227351.db2.gz XKSBLAHZMVFPMH-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)C(C)C ZINC000246872795 934852999 /nfs/dbraw/zinc/85/29/99/934852999.db2.gz DDIRSWGIINPOHO-STQMWFEESA-N 2 1 254.422 1.667 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001493214953 935882207 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CDEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001420949170 963380422 /nfs/dbraw/zinc/38/04/22/963380422.db2.gz KSIMORPDQIBATN-CQSZACIVSA-N 2 1 299.846 1.615 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569639137 1169948627 /nfs/dbraw/zinc/94/86/27/1169948627.db2.gz NDNQZJAHGINRRO-GOEBONIOSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569642161 1169949115 /nfs/dbraw/zinc/94/91/15/1169949115.db2.gz YGSAPXJWMUWYJX-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001569642161 1169949121 /nfs/dbraw/zinc/94/91/21/1169949121.db2.gz YGSAPXJWMUWYJX-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001569642161 1169949128 /nfs/dbraw/zinc/94/91/28/1169949128.db2.gz YGSAPXJWMUWYJX-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001497321027 973285296 /nfs/dbraw/zinc/28/52/96/973285296.db2.gz BDWTUAZOOQEVHG-LLVKDONJSA-N 2 1 284.791 1.428 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497329897 973289153 /nfs/dbraw/zinc/28/91/53/973289153.db2.gz FIUFKMNYNKTTDE-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001373243093 973323837 /nfs/dbraw/zinc/32/38/37/973323837.db2.gz FJMRINUEJIPMEA-CQSZACIVSA-N 2 1 299.846 1.663 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001497453351 973349778 /nfs/dbraw/zinc/34/97/78/973349778.db2.gz BCTNISJOHVDPGW-LBPRGKRZSA-N 2 1 287.835 1.519 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001497456175 973355071 /nfs/dbraw/zinc/35/50/71/973355071.db2.gz VSTDVUSIJICLMP-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586679 973422872 /nfs/dbraw/zinc/42/28/72/973422872.db2.gz XKTBGGWWYZXXSF-IJWDBEHRSA-N 2 1 285.819 1.341 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001498119611 973693143 /nfs/dbraw/zinc/69/31/43/973693143.db2.gz QSGODNVVGVQPRC-UAGQMJEPSA-N 2 1 299.418 1.059 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001498367341 973863313 /nfs/dbraw/zinc/86/33/13/973863313.db2.gz VQEGAAVFSNOFED-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001498367341 973863318 /nfs/dbraw/zinc/86/33/18/973863318.db2.gz VQEGAAVFSNOFED-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001498367341 973863324 /nfs/dbraw/zinc/86/33/24/973863324.db2.gz VQEGAAVFSNOFED-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501090506 974530711 /nfs/dbraw/zinc/53/07/11/974530711.db2.gz DPDFSARNHQDTDH-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001506853226 975235406 /nfs/dbraw/zinc/23/54/06/975235406.db2.gz TUWJDXWJCDSEPF-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001405277810 975700543 /nfs/dbraw/zinc/70/05/43/975700543.db2.gz GIWYARNTJKAHPB-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001569823619 1170006108 /nfs/dbraw/zinc/00/61/08/1170006108.db2.gz HNAUAXIEUFKUJQ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001492971118 976840981 /nfs/dbraw/zinc/84/09/81/976840981.db2.gz BEAAOSBNJBVIAS-ZDUSSCGKSA-N 2 1 255.406 1.197 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001677281471 1174345561 /nfs/dbraw/zinc/34/55/61/1174345561.db2.gz JLRZNOZABKKSCV-UONOGXRCSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915636 1170037387 /nfs/dbraw/zinc/03/73/87/1170037387.db2.gz SYQMXLYGUOAUCN-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001570109398 1170083236 /nfs/dbraw/zinc/08/32/36/1170083236.db2.gz LQHJXLGZXNXKHL-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570216048 1170113687 /nfs/dbraw/zinc/11/36/87/1170113687.db2.gz SVZRPBHWRYEPFC-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570216048 1170113690 /nfs/dbraw/zinc/11/36/90/1170113690.db2.gz SVZRPBHWRYEPFC-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570216048 1170113692 /nfs/dbraw/zinc/11/36/92/1170113692.db2.gz SVZRPBHWRYEPFC-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001570736372 1170262217 /nfs/dbraw/zinc/26/22/17/1170262217.db2.gz WNWXXPIYUBPDNM-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570736372 1170262222 /nfs/dbraw/zinc/26/22/22/1170262222.db2.gz WNWXXPIYUBPDNM-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570736372 1170262230 /nfs/dbraw/zinc/26/22/30/1170262230.db2.gz WNWXXPIYUBPDNM-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001570754196 1170273424 /nfs/dbraw/zinc/27/34/24/1170273424.db2.gz YODMFAZGQGZWQO-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001570754196 1170273431 /nfs/dbraw/zinc/27/34/31/1170273431.db2.gz YODMFAZGQGZWQO-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001570754196 1170273443 /nfs/dbraw/zinc/27/34/43/1170273443.db2.gz YODMFAZGQGZWQO-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001571512365 1170458871 /nfs/dbraw/zinc/45/88/71/1170458871.db2.gz FOEHHVIBYDPXDP-BZUAXINKSA-N 2 1 293.455 1.729 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000592492920 342696315 /nfs/dbraw/zinc/69/63/15/342696315.db2.gz HSCZOEDHLLTFRB-UHFFFAOYSA-N 2 1 256.353 1.529 10 30 CDEEMP C=CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000625700683 342194034 /nfs/dbraw/zinc/19/40/34/342194034.db2.gz KVYQLGZWCYPYRI-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP N#CC1(C[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000600720261 342244665 /nfs/dbraw/zinc/24/46/65/342244665.db2.gz XXBINQWZJUXYCT-CQSZACIVSA-N 2 1 263.385 1.258 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ncc(C#N)cc1F ZINC000596424303 343311397 /nfs/dbraw/zinc/31/13/97/343311397.db2.gz HATLXJOXIYAACD-UHFFFAOYSA-N 2 1 279.363 1.388 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(C#N)cc1F ZINC000596424303 343311398 /nfs/dbraw/zinc/31/13/98/343311398.db2.gz HATLXJOXIYAACD-UHFFFAOYSA-N 2 1 279.363 1.388 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC001659206976 1172106865 /nfs/dbraw/zinc/10/68/65/1172106865.db2.gz OXEKWYJNYRDRCJ-UHFFFAOYSA-N 2 1 253.390 1.141 10 30 CDEEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399982 367826301 /nfs/dbraw/zinc/82/63/01/367826301.db2.gz MIKXKUZYXLFUQS-CABCVRRESA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399982 367826304 /nfs/dbraw/zinc/82/63/04/367826304.db2.gz MIKXKUZYXLFUQS-CABCVRRESA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399982 367826311 /nfs/dbraw/zinc/82/63/11/367826311.db2.gz MIKXKUZYXLFUQS-CABCVRRESA-N 2 1 279.428 1.705 10 30 CDEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001661866509 1172458980 /nfs/dbraw/zinc/45/89/80/1172458980.db2.gz PBXIVOKGCPUWQA-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001661866509 1172458986 /nfs/dbraw/zinc/45/89/86/1172458986.db2.gz PBXIVOKGCPUWQA-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001661866509 1172458991 /nfs/dbraw/zinc/45/89/91/1172458991.db2.gz PBXIVOKGCPUWQA-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001661994904 1172474341 /nfs/dbraw/zinc/47/43/41/1172474341.db2.gz BFYVLVWOWHCMLB-GJZGRUSLSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001661994904 1172474351 /nfs/dbraw/zinc/47/43/51/1172474351.db2.gz BFYVLVWOWHCMLB-GJZGRUSLSA-N 2 1 288.395 1.041 10 30 CDEEMP C[N@@H+]1C[C@H]2CN(CCOc3ccccc3C#N)C[C@H]2C1 ZINC000193616519 375878052 /nfs/dbraw/zinc/87/80/52/375878052.db2.gz DONTVSBDTLRFQI-GASCZTMLSA-N 2 1 271.364 1.430 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCCCC)CC1 ZINC001663340087 1172675594 /nfs/dbraw/zinc/67/55/94/1172675594.db2.gz YNMQFRLBVOLXJU-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C[N@H+](CCOCCC#N)CC[C@H]1CCCC[NH+]1C ZINC000339006126 391240261 /nfs/dbraw/zinc/24/02/61/391240261.db2.gz UIZRNTSDZYLGKO-CQSZACIVSA-N 2 1 253.390 1.723 10 30 CDEEMP C[N@@H+](CCOCCC#N)CC[C@H]1CCCC[NH+]1C ZINC000339006126 391240264 /nfs/dbraw/zinc/24/02/64/391240264.db2.gz UIZRNTSDZYLGKO-CQSZACIVSA-N 2 1 253.390 1.723 10 30 CDEEMP C[NH+](CCOCCC#N)CC[C@H]1CCCC[N@@H+]1C ZINC000339006126 391240268 /nfs/dbraw/zinc/24/02/68/391240268.db2.gz UIZRNTSDZYLGKO-CQSZACIVSA-N 2 1 253.390 1.723 10 30 CDEEMP C[NH+](CCOCCC#N)CC[C@H]1CCCC[N@H+]1C ZINC000339006126 391240273 /nfs/dbraw/zinc/24/02/73/391240273.db2.gz UIZRNTSDZYLGKO-CQSZACIVSA-N 2 1 253.390 1.723 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001663968804 1172795506 /nfs/dbraw/zinc/79/55/06/1172795506.db2.gz WIXNPWSICRGVCQ-ZDUSSCGKSA-N 2 1 287.835 1.661 10 30 CDEEMP CC[C@@H]1COCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688935 175095429 /nfs/dbraw/zinc/09/54/29/175095429.db2.gz ONMDVVJBKYIYIC-CYBMUJFWSA-N 2 1 264.394 1.669 10 30 CDEEMP CC[C@@H]1COCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688935 175095431 /nfs/dbraw/zinc/09/54/31/175095431.db2.gz ONMDVVJBKYIYIC-CYBMUJFWSA-N 2 1 264.394 1.669 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001666778348 1173184969 /nfs/dbraw/zinc/18/49/69/1173184969.db2.gz LLAQRHKEWXAUNR-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001666787521 1173185541 /nfs/dbraw/zinc/18/55/41/1173185541.db2.gz SWVWXRYIFFUERM-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001667668602 1173308864 /nfs/dbraw/zinc/30/88/64/1173308864.db2.gz BJFCTPILFFBCCX-UHFFFAOYSA-N 2 1 287.407 1.385 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001667701756 1173312320 /nfs/dbraw/zinc/31/23/20/1173312320.db2.gz PNIHBZAJFHVYKM-CVEARBPZSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701756 1173312329 /nfs/dbraw/zinc/31/23/29/1173312329.db2.gz PNIHBZAJFHVYKM-CVEARBPZSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@@H]21 ZINC001667701756 1173312337 /nfs/dbraw/zinc/31/23/37/1173312337.db2.gz PNIHBZAJFHVYKM-CVEARBPZSA-N 2 1 293.455 1.826 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001669040699 1173497630 /nfs/dbraw/zinc/49/76/30/1173497630.db2.gz ZXSPOWGOBBFLAT-HJWRWDBZSA-N 2 1 279.428 1.250 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001669980502 1173638756 /nfs/dbraw/zinc/63/87/56/1173638756.db2.gz KIHQSNJAXHGXBG-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001671675078 1173701760 /nfs/dbraw/zinc/70/17/60/1173701760.db2.gz SPLTYFJOVDYMCM-HOCLYGCPSA-N 2 1 288.395 1.438 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531404 1173781426 /nfs/dbraw/zinc/78/14/26/1173781426.db2.gz UQWSKVOLXQADNL-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000179081855 329204050 /nfs/dbraw/zinc/20/40/50/329204050.db2.gz YITYOGDOFYYELI-SOUVJXGZSA-N 2 1 294.443 1.014 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690787383 1175571863 /nfs/dbraw/zinc/57/18/63/1175571863.db2.gz HUPMPJCWVNJJMR-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@H](C)O[C@@H](C)C1 ZINC000262240339 330002481 /nfs/dbraw/zinc/00/24/81/330002481.db2.gz XXSNFDMLNJEDTP-KCQAQPDRSA-N 2 1 296.459 1.579 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001690881558 1175598489 /nfs/dbraw/zinc/59/84/89/1175598489.db2.gz WTCWETLZMQBZBA-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001267215184 1159181556 /nfs/dbraw/zinc/18/15/56/1159181556.db2.gz IPIHGCHGOMDCBX-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000177021964 333052301 /nfs/dbraw/zinc/05/23/01/333052301.db2.gz DKDGSEBKQYKHGA-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001698861594 1175967783 /nfs/dbraw/zinc/96/77/83/1175967783.db2.gz QQRCOYXHUGQKHF-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001700920840 1160103029 /nfs/dbraw/zinc/10/30/29/1160103029.db2.gz BSEHDDGJHARWLT-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001691622880 1160721312 /nfs/dbraw/zinc/72/13/12/1160721312.db2.gz CPUQKNJCKTZJMY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001733130504 1161533089 /nfs/dbraw/zinc/53/30/89/1161533089.db2.gz FEKYNDSOEDPYRC-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001716039291 1180011472 /nfs/dbraw/zinc/01/14/72/1180011472.db2.gz QIKMTRRWQFIBKC-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716540515 1180276629 /nfs/dbraw/zinc/27/66/29/1180276629.db2.gz HUQSYBAUHKFXOL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001717945984 1180939966 /nfs/dbraw/zinc/93/99/66/1180939966.db2.gz LQYBCSOZIMFRQS-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001717945984 1180939971 /nfs/dbraw/zinc/93/99/71/1180939971.db2.gz LQYBCSOZIMFRQS-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001717945984 1180939975 /nfs/dbraw/zinc/93/99/75/1180939975.db2.gz LQYBCSOZIMFRQS-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001725134581 1181879166 /nfs/dbraw/zinc/87/91/66/1181879166.db2.gz WNYCMBNTIYIYKY-NEPJUHHUSA-N 2 1 264.373 1.250 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001688888770 1175054179 /nfs/dbraw/zinc/05/41/79/1175054179.db2.gz NRTBIUPFOJLNHU-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624282 613027150 /nfs/dbraw/zinc/02/71/50/613027150.db2.gz CJBJUVMPMZNVHU-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624282 613027152 /nfs/dbraw/zinc/02/71/52/613027152.db2.gz CJBJUVMPMZNVHU-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624282 613027153 /nfs/dbraw/zinc/02/71/53/613027153.db2.gz CJBJUVMPMZNVHU-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000900216887 622809994 /nfs/dbraw/zinc/80/99/94/622809994.db2.gz YONCXXBGLZSICW-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@H+](CC)CN1C[C@@H](c2cncn2C)CC1=O ZINC000902668993 625198053 /nfs/dbraw/zinc/19/80/53/625198053.db2.gz GUHGNZDZCBRNCB-AWEZNQCLSA-N 2 1 290.411 1.982 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317326 1175435285 /nfs/dbraw/zinc/43/52/85/1175435285.db2.gz GBFXZXZXAKHHGN-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480878465 1158559779 /nfs/dbraw/zinc/55/97/79/1158559779.db2.gz HDAXEKJWRRCEGM-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001480878465 1158559782 /nfs/dbraw/zinc/55/97/82/1158559782.db2.gz HDAXEKJWRRCEGM-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480878465 1158559785 /nfs/dbraw/zinc/55/97/85/1158559785.db2.gz HDAXEKJWRRCEGM-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001283102028 1158787601 /nfs/dbraw/zinc/78/76/01/1158787601.db2.gz VZUYVOXTTKMXJW-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001717205314 1158473418 /nfs/dbraw/zinc/47/34/18/1158473418.db2.gz DPXRBKJXUBVSLT-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001717205314 1158473421 /nfs/dbraw/zinc/47/34/21/1158473421.db2.gz DPXRBKJXUBVSLT-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001717205314 1158473427 /nfs/dbraw/zinc/47/34/27/1158473427.db2.gz DPXRBKJXUBVSLT-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001670730462 1158753885 /nfs/dbraw/zinc/75/38/85/1158753885.db2.gz ZMKDRNFJKHUBQH-CABCVRRESA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001670730462 1158753890 /nfs/dbraw/zinc/75/38/90/1158753890.db2.gz ZMKDRNFJKHUBQH-CABCVRRESA-N 2 1 279.428 1.483 10 30 CDEEMP C(C[NH+]1CCCCC1)NN=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872344270 1165418573 /nfs/dbraw/zinc/41/85/73/1165418573.db2.gz RGDBXOBWVHTQNR-HNNXBMFYSA-N 2 1 296.484 1.629 10 30 CDEEMP C(C[NH+]1CCCCC1)NN=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872344270 1165418576 /nfs/dbraw/zinc/41/85/76/1165418576.db2.gz RGDBXOBWVHTQNR-HNNXBMFYSA-N 2 1 296.484 1.629 10 30 CDEEMP C=CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000878198598 1166159163 /nfs/dbraw/zinc/15/91/63/1166159163.db2.gz NMRQRLQMFCLCNL-UONOGXRCSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC001635962582 1166636046 /nfs/dbraw/zinc/63/60/46/1166636046.db2.gz GQZYTLSRJPIPGX-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001566712802 1168398588 /nfs/dbraw/zinc/39/85/88/1168398588.db2.gz QZTDXAMXIBWSJI-BPLDGKMQSA-N 2 1 279.428 1.387 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=C)C)C1 ZINC001567128901 1168588122 /nfs/dbraw/zinc/58/81/22/1168588122.db2.gz XIKNILUDUDVCDS-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=C)C)C1 ZINC001567128901 1168588139 /nfs/dbraw/zinc/58/81/39/1168588139.db2.gz XIKNILUDUDVCDS-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567178058 1168607537 /nfs/dbraw/zinc/60/75/37/1168607537.db2.gz JKVAAVAVRIAFAU-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567730833 1168939946 /nfs/dbraw/zinc/93/99/46/1168939946.db2.gz FJPDHXCIMWLMRK-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567730833 1168939954 /nfs/dbraw/zinc/93/99/54/1168939954.db2.gz FJPDHXCIMWLMRK-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567730833 1168939960 /nfs/dbraw/zinc/93/99/60/1168939960.db2.gz FJPDHXCIMWLMRK-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001569319998 1169762189 /nfs/dbraw/zinc/76/21/89/1169762189.db2.gz JQCIBJDBWSLHQS-AWEZNQCLSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001569406532 1169861674 /nfs/dbraw/zinc/86/16/74/1169861674.db2.gz MNVMUNQLXFEBOH-UHFFFAOYSA-N 2 1 292.383 1.164 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001569915634 1170036340 /nfs/dbraw/zinc/03/63/40/1170036340.db2.gz SYQMXLYGUOAUCN-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001661141384 1172341096 /nfs/dbraw/zinc/34/10/96/1172341096.db2.gz AQQCPVHOQVNPMB-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001661686489 1172427119 /nfs/dbraw/zinc/42/71/19/1172427119.db2.gz OIMIMKSMPDWDDA-BETUJISGSA-N 2 1 262.357 1.004 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)c1ccccc1 ZINC001664583381 1172871013 /nfs/dbraw/zinc/87/10/13/1172871013.db2.gz MELSZCJDUSUQPR-MRXNPFEDSA-N 2 1 298.390 1.825 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001669336073 1173537444 /nfs/dbraw/zinc/53/74/44/1173537444.db2.gz CWGMOOPBHRNWJO-CQSZACIVSA-N 2 1 293.455 1.757 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC)C1 ZINC001690341526 1175443318 /nfs/dbraw/zinc/44/33/18/1175443318.db2.gz RMYPEQOGTSXBRF-ZNMIVQPWSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC)C1 ZINC001690341526 1175443320 /nfs/dbraw/zinc/44/33/20/1175443320.db2.gz RMYPEQOGTSXBRF-ZNMIVQPWSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001690536029 1175489441 /nfs/dbraw/zinc/48/94/41/1175489441.db2.gz UVXQGTGGWOXYDL-UYSNPLJNSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001692005398 1175665260 /nfs/dbraw/zinc/66/52/60/1175665260.db2.gz XFUUJJCRZVSZJO-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001692086178 1175674643 /nfs/dbraw/zinc/67/46/43/1175674643.db2.gz OZLPQESBKZHQGI-PMPSAXMXSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001698841932 1175958906 /nfs/dbraw/zinc/95/89/06/1175958906.db2.gz XJYGMPROJKYROE-LSDHHAIUSA-N 2 1 281.444 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ZINC001699578804 1176481855 /nfs/dbraw/zinc/48/18/55/1176481855.db2.gz OVLFIPZQIWCNPJ-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001699720624 1176586980 /nfs/dbraw/zinc/58/69/80/1176586980.db2.gz ZWOANHSSVYTWFL-OAHLLOKOSA-N 2 1 281.444 1.681 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699750449 1176606463 /nfs/dbraw/zinc/60/64/63/1176606463.db2.gz CVRZLNPNHDXTQI-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C2CCC2)CCC1 ZINC001700132309 1176763630 /nfs/dbraw/zinc/76/36/30/1176763630.db2.gz XLSOPOBFZGCYPL-UHFFFAOYSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001700187141 1176787948 /nfs/dbraw/zinc/78/79/48/1176787948.db2.gz JTHWAJFQFPJITA-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001700187141 1176787954 /nfs/dbraw/zinc/78/79/54/1176787954.db2.gz JTHWAJFQFPJITA-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001700187141 1176787961 /nfs/dbraw/zinc/78/79/61/1176787961.db2.gz JTHWAJFQFPJITA-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700477332 1176967363 /nfs/dbraw/zinc/96/73/63/1176967363.db2.gz QNUZWOQGTIRMQL-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001700698527 1177079898 /nfs/dbraw/zinc/07/98/98/1177079898.db2.gz SVHKWMVAGGXQMB-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001700698527 1177079906 /nfs/dbraw/zinc/07/99/06/1177079906.db2.gz SVHKWMVAGGXQMB-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001700698527 1177079911 /nfs/dbraw/zinc/07/99/11/1177079911.db2.gz SVHKWMVAGGXQMB-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001700769048 1177123467 /nfs/dbraw/zinc/12/34/67/1177123467.db2.gz VNLNHYKIXQLSGR-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001707467442 1178064445 /nfs/dbraw/zinc/06/44/45/1178064445.db2.gz JDMHSIRKVVRVEU-KRWDZBQOSA-N 2 1 291.439 1.324 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001707467442 1178064453 /nfs/dbraw/zinc/06/44/53/1178064453.db2.gz JDMHSIRKVVRVEU-KRWDZBQOSA-N 2 1 291.439 1.324 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001707467442 1178064459 /nfs/dbraw/zinc/06/44/59/1178064459.db2.gz JDMHSIRKVVRVEU-KRWDZBQOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001712991875 1178290080 /nfs/dbraw/zinc/29/00/80/1178290080.db2.gz ZHHBBQOZAOTQFZ-UHFFFAOYSA-N 2 1 267.417 1.487 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001713014982 1178304800 /nfs/dbraw/zinc/30/48/00/1178304800.db2.gz AVGUNAUPYFPLRL-CHWSQXEVSA-N 2 1 276.384 1.527 10 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ZINC001713755654 1178739772 /nfs/dbraw/zinc/73/97/72/1178739772.db2.gz FUIFMDSMUBMXMO-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714005323 1178922883 /nfs/dbraw/zinc/92/28/83/1178922883.db2.gz CIBLKXVYLPJHEY-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001714005323 1178922891 /nfs/dbraw/zinc/92/28/91/1178922891.db2.gz CIBLKXVYLPJHEY-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001714005323 1178922898 /nfs/dbraw/zinc/92/28/98/1178922898.db2.gz CIBLKXVYLPJHEY-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714018858 1178930770 /nfs/dbraw/zinc/93/07/70/1178930770.db2.gz WJAYZXXJSINFNK-OAGGEKHMSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001714090709 1178968279 /nfs/dbraw/zinc/96/82/79/1178968279.db2.gz AEJOYROKMWTEIZ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714258132 1179050890 /nfs/dbraw/zinc/05/08/90/1179050890.db2.gz MHSJDUIUZVPQMP-OAHLLOKOSA-N 2 1 293.455 1.759 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001714384787 1179116340 /nfs/dbraw/zinc/11/63/40/1179116340.db2.gz IRSMQTWFCDSHEH-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714445476 1179143360 /nfs/dbraw/zinc/14/33/60/1179143360.db2.gz IXNZTTUSQDFCLT-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001714816870 1179409877 /nfs/dbraw/zinc/40/98/77/1179409877.db2.gz RUCZFGJPQZXYJK-UKRRQHHQSA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001715547746 1179711324 /nfs/dbraw/zinc/71/13/24/1179711324.db2.gz ACGKUZFQDHAIDF-GJZGRUSLSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001715591430 1179727774 /nfs/dbraw/zinc/72/77/74/1179727774.db2.gz AYBKLMHTSYJLRF-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001716404505 1180188580 /nfs/dbraw/zinc/18/85/80/1180188580.db2.gz OGHPMBWICHIYHG-CHWSQXEVSA-N 2 1 278.400 1.641 10 30 CDEEMP C=CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001716849945 1180439583 /nfs/dbraw/zinc/43/95/83/1180439583.db2.gz HWKVEXPVORPLNW-UKRRQHHQSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001716849945 1180439593 /nfs/dbraw/zinc/43/95/93/1180439593.db2.gz HWKVEXPVORPLNW-UKRRQHHQSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001716849945 1180439599 /nfs/dbraw/zinc/43/95/99/1180439599.db2.gz HWKVEXPVORPLNW-UKRRQHHQSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001716974202 1180486648 /nfs/dbraw/zinc/48/66/48/1180486648.db2.gz XGEAEKZMTJISEW-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001717420258 1180662869 /nfs/dbraw/zinc/66/28/69/1180662869.db2.gz SEUNBNLQSBAZIR-STQMWFEESA-N 2 1 264.373 1.250 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001717841717 1180889134 /nfs/dbraw/zinc/88/91/34/1180889134.db2.gz URRIVVBFMDXPGQ-DOTOQJQBSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001717841717 1180889144 /nfs/dbraw/zinc/88/91/44/1180889144.db2.gz URRIVVBFMDXPGQ-DOTOQJQBSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@H]12 ZINC001717841717 1180889146 /nfs/dbraw/zinc/88/91/46/1180889146.db2.gz URRIVVBFMDXPGQ-DOTOQJQBSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001717887728 1180913564 /nfs/dbraw/zinc/91/35/64/1180913564.db2.gz TWGFAZLYULPQDM-GJZGRUSLSA-N 2 1 281.444 1.777 10 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C=CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001269740206 904077757 /nfs/dbraw/zinc/07/77/57/904077757.db2.gz BWYMHZDZMUZZDQ-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269740206 904077772 /nfs/dbraw/zinc/07/77/72/904077772.db2.gz BWYMHZDZMUZZDQ-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269740206 904077786 /nfs/dbraw/zinc/07/77/86/904077786.db2.gz BWYMHZDZMUZZDQ-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001270051364 904309253 /nfs/dbraw/zinc/30/92/53/904309253.db2.gz VMHIIRMRXZONSO-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270293551 904511832 /nfs/dbraw/zinc/51/18/32/904511832.db2.gz VZDHFPUSQCWLHG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482458252 905669266 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CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001483797408 915077340 /nfs/dbraw/zinc/07/73/40/915077340.db2.gz QJABGEZJZOQEOA-UHFFFAOYSA-N 2 1 299.418 1.380 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001483846309 915108223 /nfs/dbraw/zinc/10/82/23/915108223.db2.gz GHRGEUHCSVZDNG-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483846309 915108233 /nfs/dbraw/zinc/10/82/33/915108233.db2.gz GHRGEUHCSVZDNG-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001483846309 915108249 /nfs/dbraw/zinc/10/82/49/915108249.db2.gz GHRGEUHCSVZDNG-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001483955613 915241516 /nfs/dbraw/zinc/24/15/16/915241516.db2.gz MJYZEJRKCBZUOH-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC=C)CC1 ZINC001483989395 915267831 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CDEEMP C=CC[C@@]1(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@H+]3C)CCC[NH2+]1 ZINC000662792845 413509419 /nfs/dbraw/zinc/50/94/19/413509419.db2.gz HWGNHVXWOFRFNL-YCPHGPKFSA-N 2 1 277.412 1.380 10 30 CDEEMP CC[C@H]1C[N@H+](Cc2sccc2C#CC[NH3+])CCO1 ZINC000043683696 175092197 /nfs/dbraw/zinc/09/21/97/175092197.db2.gz OEAZAJDOLBOUFK-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP CC[C@H]1C[N@@H+](Cc2sccc2C#CC[NH3+])CCO1 ZINC000043683696 175092198 /nfs/dbraw/zinc/09/21/98/175092198.db2.gz OEAZAJDOLBOUFK-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP CC[N@@H+](Cc1sccc1C#CC[NH3+])[C@@H](C)COC ZINC000043684257 175093226 /nfs/dbraw/zinc/09/32/26/175093226.db2.gz SOVMAQLICOOZBS-LBPRGKRZSA-N 2 1 266.410 1.915 10 30 CDEEMP CN(Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190484 176067057 /nfs/dbraw/zinc/06/70/57/176067057.db2.gz QRMQYBRRIRPGFV-OAHLLOKOSA-N 2 1 289.398 1.519 10 30 CDEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190484 176067058 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1.970 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001672319908 1173764954 /nfs/dbraw/zinc/76/49/54/1173764954.db2.gz BKXVMXGPQMXKKW-UONOGXRCSA-N 2 1 267.417 1.198 10 30 CDEEMP C=CCNC(N[C@H]1CC[N@H+](C2CCCC2)C1)=[NH+]CC ZINC000262813111 330033428 /nfs/dbraw/zinc/03/34/28/330033428.db2.gz RLOTUTUUUFLFNR-ZDUSSCGKSA-N 2 1 264.417 1.744 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480966402 1159471197 /nfs/dbraw/zinc/47/11/97/1159471197.db2.gz GOXKKWWZOHMZCD-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480966402 1159471203 /nfs/dbraw/zinc/47/12/03/1159471203.db2.gz GOXKKWWZOHMZCD-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001480966402 1159471206 /nfs/dbraw/zinc/47/12/06/1159471206.db2.gz GOXKKWWZOHMZCD-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001480966402 1159471210 /nfs/dbraw/zinc/47/12/10/1159471210.db2.gz GOXKKWWZOHMZCD-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CCC ZINC001732631218 1160160098 /nfs/dbraw/zinc/16/00/98/1160160098.db2.gz RCEDBXMIMULQKI-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001483419080 1160919403 /nfs/dbraw/zinc/91/94/03/1160919403.db2.gz BFTRUHCEZMIOFD-AWEZNQCLSA-N 2 1 287.407 1.432 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716235894 1180113526 /nfs/dbraw/zinc/11/35/26/1180113526.db2.gz VPDPQIRSWYQDMT-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716482950 1180244552 /nfs/dbraw/zinc/24/45/52/1180244552.db2.gz VKFYTACQJYQUIA-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716482950 1180244559 /nfs/dbraw/zinc/24/45/59/1180244559.db2.gz VKFYTACQJYQUIA-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001716482950 1180244564 /nfs/dbraw/zinc/24/45/64/1180244564.db2.gz VKFYTACQJYQUIA-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001732185406 1182840408 /nfs/dbraw/zinc/84/04/08/1182840408.db2.gz MYOFSEIXNJOYIA-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001732185406 1182840416 /nfs/dbraw/zinc/84/04/16/1182840416.db2.gz MYOFSEIXNJOYIA-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001732185406 1182840424 /nfs/dbraw/zinc/84/04/24/1182840424.db2.gz MYOFSEIXNJOYIA-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C[C@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616294 524651081 /nfs/dbraw/zinc/65/10/81/524651081.db2.gz WZCYDXXYSJMBNA-IIAWOOMASA-N 2 1 278.444 1.683 10 30 CDEEMP C[C@H](C[C@](C)(C#N)NC1CC1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616294 524651092 /nfs/dbraw/zinc/65/10/92/524651092.db2.gz WZCYDXXYSJMBNA-IIAWOOMASA-N 2 1 278.444 1.683 10 30 CDEEMP C[C@H](C[C@](C)(C#N)NC1CC1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000068616294 524651102 /nfs/dbraw/zinc/65/11/02/524651102.db2.gz WZCYDXXYSJMBNA-IIAWOOMASA-N 2 1 278.444 1.683 10 30 CDEEMP C[C@H](C[C@](C)(C#N)NC1CC1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000068616294 524651111 /nfs/dbraw/zinc/65/11/11/524651111.db2.gz WZCYDXXYSJMBNA-IIAWOOMASA-N 2 1 278.444 1.683 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@H]1C ZINC001684869865 1174663931 /nfs/dbraw/zinc/66/39/31/1174663931.db2.gz QNOVIXYAHRUVAF-CABCVRRESA-N 2 1 294.443 1.066 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741707433 576568763 /nfs/dbraw/zinc/56/87/63/576568763.db2.gz FROJVBJKOJSUFB-ILXRZTDVSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741707433 576568765 /nfs/dbraw/zinc/56/87/65/576568765.db2.gz FROJVBJKOJSUFB-ILXRZTDVSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741707433 576568766 /nfs/dbraw/zinc/56/87/66/576568766.db2.gz FROJVBJKOJSUFB-ILXRZTDVSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000741707433 576568767 /nfs/dbraw/zinc/56/87/67/576568767.db2.gz FROJVBJKOJSUFB-ILXRZTDVSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001688893957 1175056268 /nfs/dbraw/zinc/05/62/68/1175056268.db2.gz OBIFEMIPXGOGQM-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001689965473 1175326207 /nfs/dbraw/zinc/32/62/07/1175326207.db2.gz UMEKIIMNONILGG-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001689965473 1175326213 /nfs/dbraw/zinc/32/62/13/1175326213.db2.gz UMEKIIMNONILGG-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001689965473 1175326219 /nfs/dbraw/zinc/32/62/19/1175326219.db2.gz UMEKIIMNONILGG-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC000900607351 623288847 /nfs/dbraw/zinc/28/88/47/623288847.db2.gz BHVDCYSKMNALHZ-ZIAGYGMSSA-N 2 1 290.411 1.107 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000900628420 623314370 /nfs/dbraw/zinc/31/43/70/623314370.db2.gz YYSCIBPEHYOWJU-AWEZNQCLSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000900726163 623411516 /nfs/dbraw/zinc/41/15/16/623411516.db2.gz SJXNLUXIENGUFZ-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000901308687 624105348 /nfs/dbraw/zinc/10/53/48/624105348.db2.gz RKUPXCVZNBZHOM-STQMWFEESA-N 2 1 253.390 1.045 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810721 626100829 /nfs/dbraw/zinc/10/08/29/626100829.db2.gz GAVYTSXMVKQYIT-LSDHHAIUSA-N 2 1 291.439 1.757 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905271190 626727203 /nfs/dbraw/zinc/72/72/03/626727203.db2.gz ACUOOJFVKGPXEV-LLVKDONJSA-N 2 1 266.307 1.235 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2C)CC1 ZINC000917097832 632148566 /nfs/dbraw/zinc/14/85/66/632148566.db2.gz KLZQDGXJGISNCJ-DZGCQCFKSA-N 2 1 294.443 1.419 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001266626667 1158704965 /nfs/dbraw/zinc/70/49/65/1158704965.db2.gz SKAFTWFMDHJGGQ-FPCVCCKLSA-N 2 1 289.423 1.263 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001691198063 1158952355 /nfs/dbraw/zinc/95/23/55/1158952355.db2.gz FQNCPLOMQPCPAQ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001691198063 1158952358 /nfs/dbraw/zinc/95/23/58/1158952358.db2.gz FQNCPLOMQPCPAQ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001691198063 1158952361 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C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1cncn1C ZINC001691414139 1159060467 /nfs/dbraw/zinc/06/04/67/1159060467.db2.gz ZQQKFTIAYYLCSD-AWEZNQCLSA-N 2 1 276.384 1.071 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725111868 1159106699 /nfs/dbraw/zinc/10/66/99/1159106699.db2.gz RYAMYOKQMOQJPE-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725111868 1159106701 /nfs/dbraw/zinc/10/67/01/1159106701.db2.gz RYAMYOKQMOQJPE-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001725111868 1159106704 /nfs/dbraw/zinc/10/67/04/1159106704.db2.gz RYAMYOKQMOQJPE-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000871786651 1165346528 /nfs/dbraw/zinc/34/65/28/1165346528.db2.gz FTQCDTKZBRBPAV-MRVPVSSYSA-N 2 1 256.737 1.940 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876726921 1165903567 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C=CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001567899040 1169047874 /nfs/dbraw/zinc/04/78/74/1169047874.db2.gz DERLFWZOCQRKAY-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001567899040 1169047883 /nfs/dbraw/zinc/04/78/83/1169047883.db2.gz DERLFWZOCQRKAY-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568207560 1169178451 /nfs/dbraw/zinc/17/84/51/1169178451.db2.gz CFPGRJNLBCLDNF-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001569821833 1170006306 /nfs/dbraw/zinc/00/63/06/1170006306.db2.gz SXENSCDFGOTAIW-LSDHHAIUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570177713 1170102959 /nfs/dbraw/zinc/10/29/59/1170102959.db2.gz QQCWCFBHNMABCQ-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001571350385 1170378725 /nfs/dbraw/zinc/37/87/25/1170378725.db2.gz CKUYELPLLGXXQF-ZIAGYGMSSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571388046 1170403469 /nfs/dbraw/zinc/40/34/69/1170403469.db2.gz IGTGGRVDOHGWRH-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001666914531 1173208159 /nfs/dbraw/zinc/20/81/59/1173208159.db2.gz VKXBKEZMGXSPOV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677263351 1174341835 /nfs/dbraw/zinc/34/18/35/1174341835.db2.gz PNHAIEUOXDTQIN-KBPBESRZSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCC(=C)C ZINC001698988612 1176018874 /nfs/dbraw/zinc/01/88/74/1176018874.db2.gz IJLGPMPOPFFPGX-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCC(=C)C ZINC001698988612 1176018883 /nfs/dbraw/zinc/01/88/83/1176018883.db2.gz IJLGPMPOPFFPGX-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC(=C)C ZINC001698988612 1176018892 /nfs/dbraw/zinc/01/88/92/1176018892.db2.gz IJLGPMPOPFFPGX-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC(=C)C ZINC001698988612 1176018902 /nfs/dbraw/zinc/01/89/02/1176018902.db2.gz IJLGPMPOPFFPGX-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001699432801 1176394812 /nfs/dbraw/zinc/39/48/12/1176394812.db2.gz FDHKVAHTZIZBGP-GOEBONIOSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001699683242 1176567345 /nfs/dbraw/zinc/56/73/45/1176567345.db2.gz ZOMRDRLBMSTPFJ-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001699683242 1176567354 /nfs/dbraw/zinc/56/73/54/1176567354.db2.gz ZOMRDRLBMSTPFJ-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001699683242 1176567366 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C=CC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001700869556 1177171652 /nfs/dbraw/zinc/17/16/52/1177171652.db2.gz VIJUFRJCCAZFKX-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001700869556 1177171654 /nfs/dbraw/zinc/17/16/54/1177171654.db2.gz VIJUFRJCCAZFKX-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@@H]12 ZINC001700869556 1177171656 /nfs/dbraw/zinc/17/16/56/1177171656.db2.gz VIJUFRJCCAZFKX-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001700888926 1177180361 /nfs/dbraw/zinc/18/03/61/1177180361.db2.gz RPGLOKREWZBCNK-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001707422058 1178036360 /nfs/dbraw/zinc/03/63/60/1178036360.db2.gz JJEIRDOBUFMXER-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713175324 1178413816 /nfs/dbraw/zinc/41/38/16/1178413816.db2.gz YQZDDHMDUJIZAO-MGPQQGTHSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713754906 1178739913 /nfs/dbraw/zinc/73/99/13/1178739913.db2.gz QOCHZUZEENIPLA-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714040664 1178941771 /nfs/dbraw/zinc/94/17/71/1178941771.db2.gz AYMUDUXHAXJGEK-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CCC)CCCC[C@@H]1C ZINC001714189014 1179008468 /nfs/dbraw/zinc/00/84/68/1179008468.db2.gz ZOXOYMXMLZNHDT-RDJZCZTQSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001714732398 1179364304 /nfs/dbraw/zinc/36/43/04/1179364304.db2.gz XHUSPWBPIZEQEY-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001715386132 1179652382 /nfs/dbraw/zinc/65/23/82/1179652382.db2.gz MEDKJEZYOVRJPC-GOEBONIOSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001715576992 1179722510 /nfs/dbraw/zinc/72/25/10/1179722510.db2.gz NOKCYNUKRNKUDS-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001715722480 1179778960 /nfs/dbraw/zinc/77/89/60/1179778960.db2.gz HTTORISSWUQXHA-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001716344153 1180162863 /nfs/dbraw/zinc/16/28/63/1180162863.db2.gz QQXANBTXGYYSGW-HJWRWDBZSA-N 2 1 279.428 1.250 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001716572158 1180289566 /nfs/dbraw/zinc/28/95/66/1180289566.db2.gz CPKNBYFHFWIITA-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716848825 1180438099 /nfs/dbraw/zinc/43/80/99/1180438099.db2.gz LLTMSIGSTFPPCY-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001717478003 1180695973 /nfs/dbraw/zinc/69/59/73/1180695973.db2.gz JKMPPQBNMIIQSO-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001717478003 1180695976 /nfs/dbraw/zinc/69/59/76/1180695976.db2.gz JKMPPQBNMIIQSO-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001717478003 1180695980 /nfs/dbraw/zinc/69/59/80/1180695980.db2.gz JKMPPQBNMIIQSO-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001717804361 1180865087 /nfs/dbraw/zinc/86/50/87/1180865087.db2.gz DTXAQPGIPNFNLJ-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717811174 1180870042 /nfs/dbraw/zinc/87/00/42/1180870042.db2.gz BVKHURSRSAYIOO-KGLIPLIRSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1CC ZINC001723388709 1181546305 /nfs/dbraw/zinc/54/63/05/1181546305.db2.gz GIXMRYVIYVXHMC-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724233333 1181657448 /nfs/dbraw/zinc/65/74/48/1181657448.db2.gz LWXGPGWODPEGCE-MRXNPFEDSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001724861329 1181779653 /nfs/dbraw/zinc/77/96/53/1181779653.db2.gz SPPCIWHYSGEMAP-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725353564 1181970107 /nfs/dbraw/zinc/97/01/07/1181970107.db2.gz PIXHLNWSLBUGMC-JYJNAYRXSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001725451175 1182005698 /nfs/dbraw/zinc/00/56/98/1182005698.db2.gz CWVCBHQETQIZDC-HOTGVXAUSA-N 2 1 293.455 1.759 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001725732370 1182115246 /nfs/dbraw/zinc/11/52/46/1182115246.db2.gz JJYHAKIVVOVWJJ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001725732370 1182115250 /nfs/dbraw/zinc/11/52/50/1182115250.db2.gz JJYHAKIVVOVWJJ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[N@@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001725732370 1182115252 /nfs/dbraw/zinc/11/52/52/1182115252.db2.gz JJYHAKIVVOVWJJ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001725732370 1182115257 /nfs/dbraw/zinc/11/52/57/1182115257.db2.gz JJYHAKIVVOVWJJ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001725828840 1182143055 /nfs/dbraw/zinc/14/30/55/1182143055.db2.gz QJFCTUQEJFTELO-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731319305 1182315591 /nfs/dbraw/zinc/31/55/91/1182315591.db2.gz JDEMWLSUFMAFGB-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001732016496 1182726147 /nfs/dbraw/zinc/72/61/47/1182726147.db2.gz QRFRYIWYWIOMRG-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CCC)C1 ZINC001732048897 1182739732 /nfs/dbraw/zinc/73/97/32/1182739732.db2.gz LVEFGLXTZZLQCJ-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CCC)C1 ZINC001732048897 1182739736 /nfs/dbraw/zinc/73/97/36/1182739736.db2.gz LVEFGLXTZZLQCJ-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC)C1 ZINC001732048897 1182739741 /nfs/dbraw/zinc/73/97/41/1182739741.db2.gz LVEFGLXTZZLQCJ-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC)C1 ZINC001732048897 1182739745 /nfs/dbraw/zinc/73/97/45/1182739745.db2.gz LVEFGLXTZZLQCJ-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732436839 1182964782 /nfs/dbraw/zinc/96/47/82/1182964782.db2.gz JQYVFFBAUSKSJS-CZUORRHYSA-N 2 1 299.434 1.821 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(C)C)CC1 ZINC001733067862 1183274710 /nfs/dbraw/zinc/27/47/10/1183274710.db2.gz RSTWQCVCPQGRKS-OAHLLOKOSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC=C)C1 ZINC001733426780 1183430429 /nfs/dbraw/zinc/43/04/29/1183430429.db2.gz KAOYQMXHTUFVQI-DOTOQJQBSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC=C)C1 ZINC001733426780 1183430434 /nfs/dbraw/zinc/43/04/34/1183430434.db2.gz KAOYQMXHTUFVQI-DOTOQJQBSA-N 2 1 289.423 1.098 10 30 CDEEMP C=CC[N@H+]1CCC(F)(F)[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001733476743 1183443132 /nfs/dbraw/zinc/44/31/32/1183443132.db2.gz KWGZKTAITOBTOK-LBPRGKRZSA-N 2 1 289.370 1.198 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733690422 1183498168 /nfs/dbraw/zinc/49/81/68/1183498168.db2.gz QAGJGYMKKYYEGW-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001733930938 1183571462 /nfs/dbraw/zinc/57/14/62/1183571462.db2.gz ZULNISCQQPOJSI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001733930938 1183571464 /nfs/dbraw/zinc/57/14/64/1183571464.db2.gz ZULNISCQQPOJSI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CCC ZINC001733930938 1183571467 /nfs/dbraw/zinc/57/14/67/1183571467.db2.gz ZULNISCQQPOJSI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001734095400 1183655997 /nfs/dbraw/zinc/65/59/97/1183655997.db2.gz ZCVMBQFATLSWPN-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001734439273 1183779062 /nfs/dbraw/zinc/77/90/62/1183779062.db2.gz KCVHXOPMAXHFGT-ZBFHGGJFSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001734439273 1183779064 /nfs/dbraw/zinc/77/90/64/1183779064.db2.gz KCVHXOPMAXHFGT-ZBFHGGJFSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001734439273 1183779065 /nfs/dbraw/zinc/77/90/65/1183779065.db2.gz KCVHXOPMAXHFGT-ZBFHGGJFSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691727481 1166551243 /nfs/dbraw/zinc/55/12/43/1166551243.db2.gz IUIQMFLKWFGSHQ-OKILXGFUSA-N 2 1 276.384 1.252 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001567192868 1168048314 /nfs/dbraw/zinc/04/83/14/1168048314.db2.gz IYMJZWLLTJLPPW-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567192868 1168048320 /nfs/dbraw/zinc/04/83/20/1168048320.db2.gz IYMJZWLLTJLPPW-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567192868 1168048327 /nfs/dbraw/zinc/04/83/27/1168048327.db2.gz IYMJZWLLTJLPPW-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C(C)C ZINC001566553331 1168331537 /nfs/dbraw/zinc/33/15/37/1168331537.db2.gz PFSNRMARXBUKKR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C(C)C ZINC001566553331 1168331543 /nfs/dbraw/zinc/33/15/43/1168331543.db2.gz PFSNRMARXBUKKR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C(C)C ZINC001566553331 1168331547 /nfs/dbraw/zinc/33/15/47/1168331547.db2.gz PFSNRMARXBUKKR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C(C)C ZINC001566553331 1168331554 /nfs/dbraw/zinc/33/15/54/1168331554.db2.gz PFSNRMARXBUKKR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001567235677 1168633129 /nfs/dbraw/zinc/63/31/29/1168633129.db2.gz OTYWVVHVOVQRJD-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567281571 1168657121 /nfs/dbraw/zinc/65/71/21/1168657121.db2.gz QAJHZHMZSLFYRV-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001567281571 1168657124 /nfs/dbraw/zinc/65/71/24/1168657124.db2.gz QAJHZHMZSLFYRV-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001567281571 1168657128 /nfs/dbraw/zinc/65/71/28/1168657128.db2.gz QAJHZHMZSLFYRV-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001266293180 894197668 /nfs/dbraw/zinc/19/76/68/894197668.db2.gz MLBGFSYJAPAABE-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480879767 895139316 /nfs/dbraw/zinc/13/93/16/895139316.db2.gz PULSWZXLXUTESI-UHFFFAOYSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001266632909 895634669 /nfs/dbraw/zinc/63/46/69/895634669.db2.gz VXPBMZLGBHAZOH-ULQDDVLXSA-N 2 1 299.418 1.549 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001266793113 896057717 /nfs/dbraw/zinc/05/77/17/896057717.db2.gz HCUHOMUXRKYOKK-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267130063 896881559 /nfs/dbraw/zinc/88/15/59/896881559.db2.gz CEDOTKDMHNXWSO-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001567591165 1168875376 /nfs/dbraw/zinc/87/53/76/1168875376.db2.gz ZIZGXHUOAOTSSR-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001267486206 898137111 /nfs/dbraw/zinc/13/71/11/898137111.db2.gz ZEPFNULZICVBKG-SQWLQELKSA-N 2 1 291.439 1.177 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267596272 898651083 /nfs/dbraw/zinc/65/10/83/898651083.db2.gz LTFDKKSCXSQLMF-INIZCTEOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H](C)n2ccnc2)C1 ZINC001267790139 899733333 /nfs/dbraw/zinc/73/33/33/899733333.db2.gz KWPXUYXPRNTULP-GJZGRUSLSA-N 2 1 290.411 1.943 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267791105 899737071 /nfs/dbraw/zinc/73/70/71/899737071.db2.gz RRQBPBQYIJIENQ-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267791105 899737083 /nfs/dbraw/zinc/73/70/83/899737083.db2.gz RRQBPBQYIJIENQ-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001267791105 899737090 /nfs/dbraw/zinc/73/70/90/899737090.db2.gz RRQBPBQYIJIENQ-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001267857800 899883907 /nfs/dbraw/zinc/88/39/07/899883907.db2.gz HVMWMRUBICDZGH-ZQIUZPCESA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001481333793 900437145 /nfs/dbraw/zinc/43/71/45/900437145.db2.gz GKIRHRYODHLEEB-GOEBONIOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481488173 900903020 /nfs/dbraw/zinc/90/30/20/900903020.db2.gz PCGVSZYOJLTGAO-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001268241088 901650438 /nfs/dbraw/zinc/65/04/38/901650438.db2.gz VKSCJWRZKCRQNF-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001481988564 902440621 /nfs/dbraw/zinc/44/06/21/902440621.db2.gz DZPBXVUTZXQURC-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001268689435 902970719 /nfs/dbraw/zinc/97/07/19/902970719.db2.gz XIIFFTANLZNVCS-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269331081 903700265 /nfs/dbraw/zinc/70/02/65/903700265.db2.gz HXWBHVZVMNIMJH-AWEZNQCLSA-N 2 1 277.412 1.239 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001269333407 903706248 /nfs/dbraw/zinc/70/62/48/903706248.db2.gz WOCYONBYACUHFP-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001269333407 903706256 /nfs/dbraw/zinc/70/62/56/903706256.db2.gz WOCYONBYACUHFP-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001269333407 903706260 /nfs/dbraw/zinc/70/62/60/903706260.db2.gz WOCYONBYACUHFP-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270166187 904411146 /nfs/dbraw/zinc/41/11/46/904411146.db2.gz TZGJWPPIDNDSNF-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567925129 1169073534 /nfs/dbraw/zinc/07/35/34/1169073534.db2.gz WVHPZGZZDBKRAW-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567925129 1169073548 /nfs/dbraw/zinc/07/35/48/1169073548.db2.gz WVHPZGZZDBKRAW-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001272097954 908386554 /nfs/dbraw/zinc/38/65/54/908386554.db2.gz LHQOWVUZTJFRBI-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567961665 1169095942 /nfs/dbraw/zinc/09/59/42/1169095942.db2.gz JVEFQKHNHZKIRE-QLFBSQMISA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483166421 909896964 /nfs/dbraw/zinc/89/69/64/909896964.db2.gz IIJFJDNJXWDWSG-GFCCVEGCSA-N 2 1 255.406 1.245 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348080 910943770 /nfs/dbraw/zinc/94/37/70/910943770.db2.gz RYHPZRHGJADBGD-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001483384905 911039249 /nfs/dbraw/zinc/03/92/49/911039249.db2.gz SRGASQDIUIQLKX-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483384905 911039270 /nfs/dbraw/zinc/03/92/70/911039270.db2.gz SRGASQDIUIQLKX-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483384905 911039289 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CC#CC[NH+](CC)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001317488192 957507820 /nfs/dbraw/zinc/50/78/20/957507820.db2.gz VLPHLOZUOHCKCK-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001317488192 957507824 /nfs/dbraw/zinc/50/78/24/957507824.db2.gz VLPHLOZUOHCKCK-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317769831 957658340 /nfs/dbraw/zinc/65/83/40/957658340.db2.gz LMLNRINOKLALIY-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317769831 957658346 /nfs/dbraw/zinc/65/83/46/957658346.db2.gz LMLNRINOKLALIY-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317769831 957658354 /nfs/dbraw/zinc/65/83/54/957658354.db2.gz LMLNRINOKLALIY-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317800073 957669061 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CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001318548697 958166334 /nfs/dbraw/zinc/16/63/34/958166334.db2.gz NEHYEFBTDLBXMD-CYBMUJFWSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001333313490 958239030 /nfs/dbraw/zinc/23/90/30/958239030.db2.gz ZGHQJZNOLKASDZ-INIZCTEOSA-N 2 1 291.439 1.795 10 30 CDEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001333313490 958239047 /nfs/dbraw/zinc/23/90/47/958239047.db2.gz ZGHQJZNOLKASDZ-INIZCTEOSA-N 2 1 291.439 1.795 10 30 CDEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001333313490 958239063 /nfs/dbraw/zinc/23/90/63/958239063.db2.gz ZGHQJZNOLKASDZ-INIZCTEOSA-N 2 1 291.439 1.795 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001319711846 958696242 /nfs/dbraw/zinc/69/62/42/958696242.db2.gz IBHLNVMBBAKIKT-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001319916982 958785571 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C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001419622814 961879174 /nfs/dbraw/zinc/87/91/74/961879174.db2.gz DZJDNEPPAIPGQN-KGLIPLIRSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001440864221 964216121 /nfs/dbraw/zinc/21/61/21/964216121.db2.gz YWEYRYIGDJZCMS-GHMZBOCLSA-N 2 1 284.791 1.427 10 30 CDEEMP C=CC[NH+]1CCC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001569466806 1169886081 /nfs/dbraw/zinc/88/60/81/1169886081.db2.gz FXUGXUFKOIWNBW-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001569466806 1169886089 /nfs/dbraw/zinc/88/60/89/1169886089.db2.gz FXUGXUFKOIWNBW-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001569466806 1169886100 /nfs/dbraw/zinc/88/61/00/1169886100.db2.gz FXUGXUFKOIWNBW-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C)N1CCSCC1 ZINC001556466884 967444578 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C#CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001500267204 974413074 /nfs/dbraw/zinc/41/30/74/974413074.db2.gz AVTNNYMHXZMGBT-KRWDZBQOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001500267204 974413081 /nfs/dbraw/zinc/41/30/81/974413081.db2.gz AVTNNYMHXZMGBT-KRWDZBQOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCCCCC)C1 ZINC001500267204 974413082 /nfs/dbraw/zinc/41/30/82/974413082.db2.gz AVTNNYMHXZMGBT-KRWDZBQOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001501638449 974615143 /nfs/dbraw/zinc/61/51/43/974615143.db2.gz WSPQLDGSPPGZOL-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCCCCC)C[C@H]1C ZINC001502747401 974774930 /nfs/dbraw/zinc/77/49/30/974774930.db2.gz BNDLTOKJRZZJSX-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCCC1 ZINC001506525500 975173333 /nfs/dbraw/zinc/17/33/33/975173333.db2.gz IQFIKPSHGAPGMI-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001675139138 1174079538 /nfs/dbraw/zinc/07/95/38/1174079538.db2.gz AMIRRWHNUKNCAW-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001675139544 1174079801 /nfs/dbraw/zinc/07/98/01/1174079801.db2.gz FMUIXARKDDYLBU-JKSUJKDBSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CCC[NH+]1CC([C@@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001675318397 1174101477 /nfs/dbraw/zinc/10/14/77/1174101477.db2.gz ZWMCZOPVFBKXNB-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001676667345 1174253610 /nfs/dbraw/zinc/25/36/10/1174253610.db2.gz DEIOPZDBYBMSAL-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001570902752 1170316136 /nfs/dbraw/zinc/31/61/36/1170316136.db2.gz YEDCXVVDJSDPKO-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001571398145 1170410228 /nfs/dbraw/zinc/41/02/28/1170410228.db2.gz PCWBMJZUICEYIB-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001571512364 1170458392 /nfs/dbraw/zinc/45/83/92/1170458392.db2.gz FOEHHVIBYDPXDP-ARFHVFGLSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CCC ZINC001656105738 1171768962 /nfs/dbraw/zinc/76/89/62/1171768962.db2.gz KBLOVNZBACLKTG-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001656105738 1171768967 /nfs/dbraw/zinc/76/89/67/1171768967.db2.gz KBLOVNZBACLKTG-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656105738 1171768975 /nfs/dbraw/zinc/76/89/75/1171768975.db2.gz KBLOVNZBACLKTG-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656105738 1171768978 /nfs/dbraw/zinc/76/89/78/1171768978.db2.gz KBLOVNZBACLKTG-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594919952 342986667 /nfs/dbraw/zinc/98/66/67/342986667.db2.gz KSVUQJAUTRUUGG-SNPRPXQTSA-N 2 1 280.412 1.814 10 30 CDEEMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000600713091 349876646 /nfs/dbraw/zinc/87/66/46/349876646.db2.gz DOVNNVHTIAKUHA-SUMWQHHRSA-N 2 1 284.407 1.867 10 30 CDEEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C)c(C#N)c1 ZINC000600729627 349877002 /nfs/dbraw/zinc/87/70/02/349877002.db2.gz WGPHMSWPMWSYPW-UHFFFAOYSA-N 2 1 261.369 1.535 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001660727524 1172266059 /nfs/dbraw/zinc/26/60/59/1172266059.db2.gz WYWGHBVDQYPJBB-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247983806 377192134 /nfs/dbraw/zinc/19/21/34/377192134.db2.gz IPZIODZQTKBYQB-HZPDHXFCSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCN(CC=C)C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247983806 377192144 /nfs/dbraw/zinc/19/21/44/377192144.db2.gz IPZIODZQTKBYQB-HZPDHXFCSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247983806 377192150 /nfs/dbraw/zinc/19/21/50/377192150.db2.gz IPZIODZQTKBYQB-HZPDHXFCSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247983806 377192156 /nfs/dbraw/zinc/19/21/56/377192156.db2.gz IPZIODZQTKBYQB-HZPDHXFCSA-N 2 1 291.439 1.603 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001662649075 1172575546 /nfs/dbraw/zinc/57/55/46/1172575546.db2.gz DQLOKAJYJSKJMX-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001663400575 1172687938 /nfs/dbraw/zinc/68/79/38/1172687938.db2.gz RAOOEYSPFKMQPO-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP CCC#C[C@H](C)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106165 392014857 /nfs/dbraw/zinc/01/48/57/392014857.db2.gz QMWIOSBRBHPIMW-AWEZNQCLSA-N 2 1 250.386 1.585 10 30 CDEEMP CCC#C[C@H](C)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106165 392014863 /nfs/dbraw/zinc/01/48/63/392014863.db2.gz QMWIOSBRBHPIMW-AWEZNQCLSA-N 2 1 250.386 1.585 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754965 413437297 /nfs/dbraw/zinc/43/72/97/413437297.db2.gz WLLKTMXWWMSFEN-XJKCOSOUSA-N 2 1 277.412 1.426 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037539311 173260156 /nfs/dbraw/zinc/26/01/56/173260156.db2.gz KZTANBGQPYLFFL-GFCCVEGCSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037539311 173260158 /nfs/dbraw/zinc/26/01/58/173260158.db2.gz KZTANBGQPYLFFL-GFCCVEGCSA-N 2 1 253.390 1.141 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCCC[C@H]1CO ZINC000043683956 175092450 /nfs/dbraw/zinc/09/24/50/175092450.db2.gz NJTVGBYPPGYWNK-ZDUSSCGKSA-N 2 1 264.394 1.405 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCCSCC2)c1 ZINC000043689030 175095232 /nfs/dbraw/zinc/09/52/32/175095232.db2.gz GKLWSOXCXPZYDT-UHFFFAOYSA-N 2 1 266.435 1.997 10 30 CDEEMP C[N@H+](CCCC[C@@](C)([NH3+])C#N)CCc1ccccn1 ZINC000045306011 175355751 /nfs/dbraw/zinc/35/57/51/175355751.db2.gz AGOVPMNZLGRTCP-OAHLLOKOSA-N 2 1 260.385 1.967 10 30 CDEEMP C[N@@H+](CCCC[C@@](C)([NH3+])C#N)CCc1ccccn1 ZINC000045306011 175355752 /nfs/dbraw/zinc/35/57/52/175355752.db2.gz AGOVPMNZLGRTCP-OAHLLOKOSA-N 2 1 260.385 1.967 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668833785 1173471955 /nfs/dbraw/zinc/47/19/55/1173471955.db2.gz KJMDYTBLXDVWDP-JLCCIEBKSA-N 2 1 293.455 1.943 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261663383 329975383 /nfs/dbraw/zinc/97/53/83/329975383.db2.gz GEKREARSSWLVIT-CQSZACIVSA-N 2 1 294.443 1.159 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267658870 1159560230 /nfs/dbraw/zinc/56/02/30/1159560230.db2.gz LETAFKOEHRKODJ-CQSZACIVSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531461 1159738895 /nfs/dbraw/zinc/73/88/95/1159738895.db2.gz VDEKAFLQXVYEFE-GJZGRUSLSA-N 2 1 291.439 1.580 10 30 CDEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001700448385 1176934422 /nfs/dbraw/zinc/93/44/22/1176934422.db2.gz KBHNIYSWGFZUGY-CQSZACIVSA-N 2 1 281.444 1.588 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001270066337 1160087048 /nfs/dbraw/zinc/08/70/48/1160087048.db2.gz ISYSMFZOMLWXQB-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001700888920 1177179253 /nfs/dbraw/zinc/17/92/53/1177179253.db2.gz RORYYQXXBUXZGL-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001700888920 1177179258 /nfs/dbraw/zinc/17/92/58/1177179258.db2.gz RORYYQXXBUXZGL-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001700888920 1177179262 /nfs/dbraw/zinc/17/92/62/1177179262.db2.gz RORYYQXXBUXZGL-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001482816695 1160637066 /nfs/dbraw/zinc/63/70/66/1160637066.db2.gz JAFBEORDDFOQNV-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714542024 1179198059 /nfs/dbraw/zinc/19/80/59/1179198059.db2.gz FHSRFEOHZWNHNF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714542024 1179198062 /nfs/dbraw/zinc/19/80/62/1179198062.db2.gz FHSRFEOHZWNHNF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714542024 1179198064 /nfs/dbraw/zinc/19/80/64/1179198064.db2.gz FHSRFEOHZWNHNF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001691678166 1161559202 /nfs/dbraw/zinc/55/92/02/1161559202.db2.gz LMJOQZANYCEXLI-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001689271424 1175133355 /nfs/dbraw/zinc/13/33/55/1175133355.db2.gz JGGXVWHYOKVBHJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621150 613784560 /nfs/dbraw/zinc/78/45/60/613784560.db2.gz PDJOKEAYNBIHQF-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621150 613784563 /nfs/dbraw/zinc/78/45/63/613784563.db2.gz PDJOKEAYNBIHQF-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621150 613784565 /nfs/dbraw/zinc/78/45/65/613784565.db2.gz PDJOKEAYNBIHQF-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]CC1CCC(OC)CC1 ZINC000894633189 618998830 /nfs/dbraw/zinc/99/88/30/618998830.db2.gz XVPJUISIPZLZPD-UHFFFAOYSA-N 2 1 252.402 1.736 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]CC1CCC(OC)CC1 ZINC000894633189 618998832 /nfs/dbraw/zinc/99/88/32/618998832.db2.gz XVPJUISIPZLZPD-UHFFFAOYSA-N 2 1 252.402 1.736 10 30 CDEEMP N#CC1CCC(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000903454008 626001645 /nfs/dbraw/zinc/00/16/45/626001645.db2.gz RDRDJCGCZTWCCG-GPANFISMSA-N 2 1 276.428 1.296 10 30 CDEEMP C=CC[C@H]1CC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903936126 626154682 /nfs/dbraw/zinc/15/46/82/626154682.db2.gz YNXLHEKFPMBYIH-UONOGXRCSA-N 2 1 275.400 1.601 10 30 CDEEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc(C#N)c1)C2 ZINC000903977243 626170065 /nfs/dbraw/zinc/17/00/65/626170065.db2.gz MLEIURUGTFRSKP-UXLLHSPISA-N 2 1 299.374 1.271 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000912065672 629747577 /nfs/dbraw/zinc/74/75/77/629747577.db2.gz MQEKAIZKKRSJIX-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1cc[nH+]c1C(C)C ZINC000876732090 679197180 /nfs/dbraw/zinc/19/71/80/679197180.db2.gz XUEBQEPSEHQHDH-LLVKDONJSA-N 2 1 284.791 1.593 10 30 CDEEMP CCCCCCCC[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000103455102 678215915 /nfs/dbraw/zinc/21/59/15/678215915.db2.gz HZAPEUAMNCILEO-UHFFFAOYSA-N 2 1 269.433 1.711 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000907280999 678241137 /nfs/dbraw/zinc/24/11/37/678241137.db2.gz FIQAJWRNCITHBQ-ZDUSSCGKSA-N 2 1 265.401 1.261 10 30 CDEEMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000708855979 678508629 /nfs/dbraw/zinc/50/86/29/678508629.db2.gz WQMUBSCEMZBVSP-DFBGVHRSSA-N 2 1 259.353 1.118 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000876729757 678655792 /nfs/dbraw/zinc/65/57/92/678655792.db2.gz WJZHJFUILBSXOY-SKDRFNHKSA-N 2 1 284.791 1.414 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000876883136 678855732 /nfs/dbraw/zinc/85/57/32/678855732.db2.gz ACVFOXSKCBRBPX-GRYCIOLGSA-N 2 1 271.792 1.151 10 30 CDEEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852865344 678882779 /nfs/dbraw/zinc/88/27/79/678882779.db2.gz ZTDBCEVRHYNNJP-GASCZTMLSA-N 2 1 291.439 1.369 10 30 CDEEMP CCOCCCNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000303887030 679641109 /nfs/dbraw/zinc/64/11/09/679641109.db2.gz KRRAPPUJWSGXDS-ZDUSSCGKSA-N 2 1 270.421 1.192 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001649466813 1158595699 /nfs/dbraw/zinc/59/56/99/1158595699.db2.gz UNPQXURZZTUVFV-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469712 1158613066 /nfs/dbraw/zinc/61/30/66/1158613066.db2.gz KVWIMVHESIQFPV-LSDHHAIUSA-N 2 1 279.428 1.530 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691114778 1158916154 /nfs/dbraw/zinc/91/61/54/1158916154.db2.gz VYJMKKMYSDDKBZ-OAGGEKHMSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691392050 1159050268 /nfs/dbraw/zinc/05/02/68/1159050268.db2.gz IUAKZABAQPFJNE-CQSZACIVSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691392050 1159050275 /nfs/dbraw/zinc/05/02/75/1159050275.db2.gz IUAKZABAQPFJNE-CQSZACIVSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105333 1158910762 /nfs/dbraw/zinc/91/07/62/1158910762.db2.gz ACYVWWOTPXXAGE-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001725163123 1159172929 /nfs/dbraw/zinc/17/29/29/1159172929.db2.gz BGPHAEXDSQVDER-UONOGXRCSA-N 2 1 285.407 1.126 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001267593585 1159496279 /nfs/dbraw/zinc/49/62/79/1159496279.db2.gz NXMZGVKXHFHPRK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001267593585 1159496281 /nfs/dbraw/zinc/49/62/81/1159496281.db2.gz NXMZGVKXHFHPRK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001267593585 1159496283 /nfs/dbraw/zinc/49/62/83/1159496283.db2.gz NXMZGVKXHFHPRK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482102232 1159981310 /nfs/dbraw/zinc/98/13/10/1159981310.db2.gz RJYPKORGJUWEEZ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001483493233 1160930261 /nfs/dbraw/zinc/93/02/61/1160930261.db2.gz VOHCPVIRCZLROS-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485811945 1161293858 /nfs/dbraw/zinc/29/38/58/1161293858.db2.gz RRYYNWBVTZWMBY-BMFZPTHFSA-N 2 1 291.439 1.177 10 30 CDEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001690459728 1175476197 /nfs/dbraw/zinc/47/61/97/1175476197.db2.gz SBLUXCDQSCVELZ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001690459728 1175476199 /nfs/dbraw/zinc/47/61/99/1175476199.db2.gz SBLUXCDQSCVELZ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001690459728 1175476203 /nfs/dbraw/zinc/47/62/03/1175476203.db2.gz SBLUXCDQSCVELZ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001566712761 1168397659 /nfs/dbraw/zinc/39/76/59/1168397659.db2.gz QFILHSKVWZXJLQ-FVQBIDKESA-N 2 1 293.455 1.777 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001566987696 1168489227 /nfs/dbraw/zinc/48/92/27/1168489227.db2.gz KOBBZJLZHRSQPB-QQFBHYJXSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001570659062 1170225065 /nfs/dbraw/zinc/22/50/65/1170225065.db2.gz XATDGTGXRGTVPP-GPANFISMSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570720394 1170253050 /nfs/dbraw/zinc/25/30/50/1170253050.db2.gz RBGSHRRFCJAWJL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570720394 1170253055 /nfs/dbraw/zinc/25/30/55/1170253055.db2.gz RBGSHRRFCJAWJL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001570720394 1170253045 /nfs/dbraw/zinc/25/30/45/1170253045.db2.gz RBGSHRRFCJAWJL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488713 1170438203 /nfs/dbraw/zinc/43/82/03/1170438203.db2.gz GZNDVTSYJBYOGY-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@H+](C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC001653191438 1171514099 /nfs/dbraw/zinc/51/40/99/1171514099.db2.gz JDQJDWPNCMJEKM-UHFFFAOYSA-N 2 1 288.391 1.463 10 30 CDEEMP C#CCN(C)Cc1ccc(OCCN2CCOCC2)cc1 ZINC001653191438 1171514101 /nfs/dbraw/zinc/51/41/01/1171514101.db2.gz JDQJDWPNCMJEKM-UHFFFAOYSA-N 2 1 288.391 1.463 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656234679 1171796699 /nfs/dbraw/zinc/79/66/99/1171796699.db2.gz JACKIIMMLHNCFJ-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001688950967 1175077108 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CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001714732393 1179364675 /nfs/dbraw/zinc/36/46/75/1179364675.db2.gz XHUSPWBPIZEQEY-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001715528336 1179701428 /nfs/dbraw/zinc/70/14/28/1179701428.db2.gz BBZQNGXYDYRWQA-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001715528336 1179701434 /nfs/dbraw/zinc/70/14/34/1179701434.db2.gz BBZQNGXYDYRWQA-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001715528336 1179701441 /nfs/dbraw/zinc/70/14/41/1179701441.db2.gz BBZQNGXYDYRWQA-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001715727386 1179781014 /nfs/dbraw/zinc/78/10/14/1179781014.db2.gz HAHHUOCPTQSNTR-CABCVRRESA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001715740012 1179786142 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10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731394123 1182357300 /nfs/dbraw/zinc/35/73/00/1182357300.db2.gz WPVZHXFXWBJUSU-KGLIPLIRSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001731773444 1182561824 /nfs/dbraw/zinc/56/18/24/1182561824.db2.gz XOBYEVMSZZSKBV-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001731773444 1182561829 /nfs/dbraw/zinc/56/18/29/1182561829.db2.gz XOBYEVMSZZSKBV-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001731773444 1182561833 /nfs/dbraw/zinc/56/18/33/1182561833.db2.gz XOBYEVMSZZSKBV-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791869 1182582922 /nfs/dbraw/zinc/58/29/22/1182582922.db2.gz MOSBNKUBBWFITK-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001731883115 1182650723 /nfs/dbraw/zinc/65/07/23/1182650723.db2.gz AMFXZRMECGOGIV-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001731883115 1182650730 /nfs/dbraw/zinc/65/07/30/1182650730.db2.gz AMFXZRMECGOGIV-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001731883115 1182650733 /nfs/dbraw/zinc/65/07/33/1182650733.db2.gz AMFXZRMECGOGIV-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001731933537 1182684688 /nfs/dbraw/zinc/68/46/88/1182684688.db2.gz QKDGMGOJUOHJDV-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001731960499 1182701129 /nfs/dbraw/zinc/70/11/29/1182701129.db2.gz BHYFDDHXJBMNRX-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001732208131 1182858816 /nfs/dbraw/zinc/85/88/16/1182858816.db2.gz FGDWZZXVTYZGLD-HNNXBMFYSA-N 2 1 293.455 1.759 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001732221958 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/nfs/dbraw/zinc/95/57/44/1165955744.db2.gz HVYKYSSYPWXSBT-HNNXBMFYSA-N 2 1 277.412 1.050 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001566714260 1168033603 /nfs/dbraw/zinc/03/36/03/1168033603.db2.gz JGNDZOQRKWVAED-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001568189362 1168095644 /nfs/dbraw/zinc/09/56/44/1168095644.db2.gz XITNGDKACYBLEC-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001483680137 912653638 /nfs/dbraw/zinc/65/36/38/912653638.db2.gz VYSICSPCXNSWEW-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001483680137 912653647 /nfs/dbraw/zinc/65/36/47/912653647.db2.gz VYSICSPCXNSWEW-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001567337511 1168689827 /nfs/dbraw/zinc/68/98/27/1168689827.db2.gz NCXYIMAPLJZTKY-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001567337511 1168689832 /nfs/dbraw/zinc/68/98/32/1168689832.db2.gz NCXYIMAPLJZTKY-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001567337511 1168689836 /nfs/dbraw/zinc/68/98/36/1168689836.db2.gz NCXYIMAPLJZTKY-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001266304226 894304817 /nfs/dbraw/zinc/30/48/17/894304817.db2.gz NUTZKVLHUUYZDE-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001266304226 894304833 /nfs/dbraw/zinc/30/48/33/894304833.db2.gz NUTZKVLHUUYZDE-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001266304226 894304847 /nfs/dbraw/zinc/30/48/47/894304847.db2.gz NUTZKVLHUUYZDE-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001266361310 894564970 /nfs/dbraw/zinc/56/49/70/894564970.db2.gz KTLONAPZUSIRHK-HNNXBMFYSA-N 2 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CC#CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001481072522 898729485 /nfs/dbraw/zinc/72/94/85/898729485.db2.gz YJUWESJVOLLASI-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267620064 899033026 /nfs/dbraw/zinc/03/30/26/899033026.db2.gz RMEKAPFKROIPJD-OAHLLOKOSA-N 2 1 291.439 1.629 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001267670241 899216282 /nfs/dbraw/zinc/21/62/82/899216282.db2.gz OOIMFCKBDTYACI-ZIAGYGMSSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001267698558 899315198 /nfs/dbraw/zinc/31/51/98/899315198.db2.gz BSKHZKABRJRFAY-UHFFFAOYSA-N 2 1 276.384 1.206 10 30 CDEEMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000195522481 900207845 /nfs/dbraw/zinc/20/78/45/900207845.db2.gz NVDKIEFMMKQURZ-GJZGRUSLSA-N 2 1 296.459 1.582 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752541 1168951975 /nfs/dbraw/zinc/95/19/75/1168951975.db2.gz 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1 279.428 1.675 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001281500476 942585687 /nfs/dbraw/zinc/58/56/87/942585687.db2.gz XFBKTHRDAWXMRU-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001277622605 943156662 /nfs/dbraw/zinc/15/66/62/943156662.db2.gz PSOGAMJZZNDASD-GJZGRUSLSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284961037 943303134 /nfs/dbraw/zinc/30/31/34/943303134.db2.gz ZIYGIOPHMGVLDS-UHFFFAOYSA-N 2 1 265.401 1.263 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001277899429 943959129 /nfs/dbraw/zinc/95/91/29/943959129.db2.gz CTONOUFYFJUAJV-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001264006597 944060743 /nfs/dbraw/zinc/06/07/43/944060743.db2.gz CZVGPORUKQZMCZ-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001264438257 944136818 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1.722 10 30 CDEEMP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001265708310 944475875 /nfs/dbraw/zinc/47/58/75/944475875.db2.gz MKXKGUPVTFMWOE-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001265708310 944475878 /nfs/dbraw/zinc/47/58/78/944475878.db2.gz MKXKGUPVTFMWOE-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001265708310 944475881 /nfs/dbraw/zinc/47/58/81/944475881.db2.gz MKXKGUPVTFMWOE-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001265711689 944478287 /nfs/dbraw/zinc/47/82/87/944478287.db2.gz NQBIDJNFUVWDEQ-OWYFMNJBSA-N 2 1 291.439 1.482 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001265711689 944478290 /nfs/dbraw/zinc/47/82/90/944478290.db2.gz NQBIDJNFUVWDEQ-OWYFMNJBSA-N 2 1 291.439 1.482 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001265711689 944478292 /nfs/dbraw/zinc/47/82/92/944478292.db2.gz NQBIDJNFUVWDEQ-OWYFMNJBSA-N 2 1 291.439 1.482 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001265946704 944590586 /nfs/dbraw/zinc/59/05/86/944590586.db2.gz KLKOMQXZMKYZLJ-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001266006032 944626169 /nfs/dbraw/zinc/62/61/69/944626169.db2.gz GZQWQXNOIUZXPB-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266154837 944721054 /nfs/dbraw/zinc/72/10/54/944721054.db2.gz HEDIUFLLGNSCDS-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001278419992 947837322 /nfs/dbraw/zinc/83/73/22/947837322.db2.gz JLNZWOXGICJQIJ-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001278421511 947855598 /nfs/dbraw/zinc/85/55/98/947855598.db2.gz VJYMPDZGPYEXIW-OAHLLOKOSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001479908834 971482019 /nfs/dbraw/zinc/48/20/19/971482019.db2.gz SIFFJBRBWZGXQE-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278535359 949792766 /nfs/dbraw/zinc/79/27/66/949792766.db2.gz HDJAFZIPRBBQFI-YQQAZPJKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480223322 971636190 /nfs/dbraw/zinc/63/61/90/971636190.db2.gz ACFCARKQTJRAGV-MCIONIFRSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001480462852 971741693 /nfs/dbraw/zinc/74/16/93/971741693.db2.gz YXJNEQKYGORRED-CABCVRRESA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001480464288 971742901 /nfs/dbraw/zinc/74/29/01/971742901.db2.gz RGOGABSDMGKXJA-QWHCGFSZSA-N 2 1 278.400 1.677 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001493028427 971927452 /nfs/dbraw/zinc/92/74/52/971927452.db2.gz BMHVFXGRRKSJOJ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001493028427 971927458 /nfs/dbraw/zinc/92/74/58/971927458.db2.gz BMHVFXGRRKSJOJ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001493028427 971927461 /nfs/dbraw/zinc/92/74/61/971927461.db2.gz BMHVFXGRRKSJOJ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001493150517 971962486 /nfs/dbraw/zinc/96/24/86/971962486.db2.gz DNSDYXLVNHBVHO-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001493150517 971962489 /nfs/dbraw/zinc/96/24/89/971962489.db2.gz DNSDYXLVNHBVHO-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001493150517 971962491 /nfs/dbraw/zinc/96/24/91/971962491.db2.gz DNSDYXLVNHBVHO-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(Cl)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001421822732 955542711 /nfs/dbraw/zinc/54/27/11/955542711.db2.gz IJGVBMBCUYQGDM-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC/C=C\CC ZINC001492293405 955816767 /nfs/dbraw/zinc/81/67/67/955816767.db2.gz OOVAHLHDQPFGSY-WLMCBFPDSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC/C=C\CC ZINC001492293405 955816775 /nfs/dbraw/zinc/81/67/75/955816775.db2.gz OOVAHLHDQPFGSY-WLMCBFPDSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C\CC ZINC001492293405 955816784 /nfs/dbraw/zinc/81/67/84/955816784.db2.gz OOVAHLHDQPFGSY-WLMCBFPDSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C\CC ZINC001492293405 955816792 /nfs/dbraw/zinc/81/67/92/955816792.db2.gz OOVAHLHDQPFGSY-WLMCBFPDSA-N 2 1 291.439 1.488 10 30 CDEEMP C[NH2+][C@H](C)Cc1noc([C@H]([NH3+])CCCCC#N)n1 ZINC001329868998 956149606 /nfs/dbraw/zinc/14/96/06/956149606.db2.gz WDEPYXZTHOOXIJ-NXEZZACHSA-N 2 1 251.334 1.304 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317377465 956238133 /nfs/dbraw/zinc/23/81/33/956238133.db2.gz CNQHLLBQTMNTDK-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494171923 972193680 /nfs/dbraw/zinc/19/36/80/972193680.db2.gz KZBZEHUOQGFOLH-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494171923 972193686 /nfs/dbraw/zinc/19/36/86/972193686.db2.gz KZBZEHUOQGFOLH-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494171923 972193689 /nfs/dbraw/zinc/19/36/89/972193689.db2.gz KZBZEHUOQGFOLH-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001331213900 956892899 /nfs/dbraw/zinc/89/28/99/956892899.db2.gz GYQOEJXFLASUEX-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001494387853 972223825 /nfs/dbraw/zinc/22/38/25/972223825.db2.gz SVUXMPUEBKLYDY-VNQPRFMTSA-N 2 1 293.455 1.872 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001331458699 957076212 /nfs/dbraw/zinc/07/62/12/957076212.db2.gz LWOLNPYJVBZTAE-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001331473530 957087364 /nfs/dbraw/zinc/08/73/64/957087364.db2.gz GMDXZKGCZHNYNZ-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CC1 ZINC001331473530 957087377 /nfs/dbraw/zinc/08/73/77/957087377.db2.gz GMDXZKGCZHNYNZ-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001316956150 957154675 /nfs/dbraw/zinc/15/46/75/957154675.db2.gz NKWDLDSNFAQKNX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316956150 957154685 /nfs/dbraw/zinc/15/46/85/957154685.db2.gz NKWDLDSNFAQKNX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001316956150 957154691 /nfs/dbraw/zinc/15/46/91/957154691.db2.gz NKWDLDSNFAQKNX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001317023809 957209376 /nfs/dbraw/zinc/20/93/76/957209376.db2.gz FQTIVEMKZWTXQL-CVEARBPZSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317043756 957223048 /nfs/dbraw/zinc/22/30/48/957223048.db2.gz PEWVZJBDLCPCBV-HNNXBMFYSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001331939971 957349127 /nfs/dbraw/zinc/34/91/27/957349127.db2.gz OXANCPKPGIIOQB-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001331939973 957352360 /nfs/dbraw/zinc/35/23/60/957352360.db2.gz OXANCPKPGIIOQB-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CC[NH+](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001317381798 957443055 /nfs/dbraw/zinc/44/30/55/957443055.db2.gz RFOLOMKNRIZDQV-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001317381798 957443057 /nfs/dbraw/zinc/44/30/57/957443057.db2.gz RFOLOMKNRIZDQV-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001317381798 957443058 /nfs/dbraw/zinc/44/30/58/957443058.db2.gz RFOLOMKNRIZDQV-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317382669 957444330 /nfs/dbraw/zinc/44/43/30/957444330.db2.gz ZSTBJKDXTKPTLC-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=CCC[N@H+](C)CC1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC001317881037 957708347 /nfs/dbraw/zinc/70/83/47/957708347.db2.gz CRTDHMIWCMKPTP-UHFFFAOYSA-N 2 1 290.411 1.699 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001318606618 958197259 /nfs/dbraw/zinc/19/72/59/958197259.db2.gz MEZUYVGOMMKQMT-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001318700799 958237484 /nfs/dbraw/zinc/23/74/84/958237484.db2.gz GCPNDQXIOVXMFU-IOASZLSFSA-N 2 1 286.379 1.021 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001368888011 959227748 /nfs/dbraw/zinc/22/77/48/959227748.db2.gz AEFUQSSTTBGEFI-NWDGAFQWSA-N 2 1 275.824 1.562 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321056995 959564960 /nfs/dbraw/zinc/56/49/60/959564960.db2.gz LQVQEYSVIVSBQP-LQYUOIDQSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001322042912 960065886 /nfs/dbraw/zinc/06/58/86/960065886.db2.gz ZKRXCAMJJKXXDQ-GOEBONIOSA-N 2 1 287.407 1.407 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495395219 972487743 /nfs/dbraw/zinc/48/77/43/972487743.db2.gz DESNWWGFUDFFMI-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322580385 960266331 /nfs/dbraw/zinc/26/63/31/960266331.db2.gz HLXVSBNUISIEQI-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001323166573 960492045 /nfs/dbraw/zinc/49/20/45/960492045.db2.gz DEYDESXTTUUBGR-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001323516475 960785548 /nfs/dbraw/zinc/78/55/48/960785548.db2.gz PNZRMWSNSBLHMC-CYBMUJFWSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381481 1169828359 /nfs/dbraw/zinc/82/83/59/1169828359.db2.gz QVHXFHVHUNPMHM-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001569466807 1169886827 /nfs/dbraw/zinc/88/68/27/1169886827.db2.gz FXUGXUFKOIWNBW-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001569466807 1169886832 /nfs/dbraw/zinc/88/68/32/1169886832.db2.gz FXUGXUFKOIWNBW-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001569466807 1169886837 /nfs/dbraw/zinc/88/68/37/1169886837.db2.gz FXUGXUFKOIWNBW-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001569506871 1169903581 /nfs/dbraw/zinc/90/35/81/1169903581.db2.gz BRURAXUOXUUXPB-UHFFFAOYSA-N 2 1 265.401 1.191 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001569574481 1169927450 /nfs/dbraw/zinc/92/74/50/1169927450.db2.gz JVZOLFJQGUCDSY-UHFFFAOYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CCC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001465396996 969869638 /nfs/dbraw/zinc/86/96/38/969869638.db2.gz WSUYXCSHIIBVDR-AWEZNQCLSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001496299311 972879671 /nfs/dbraw/zinc/87/96/71/972879671.db2.gz BZDRXFVCTUQTTC-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001496642276 973006816 /nfs/dbraw/zinc/00/68/16/973006816.db2.gz NLABPKCWYHMRNC-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001569683989 1169965845 /nfs/dbraw/zinc/96/58/45/1169965845.db2.gz VQACYJQXZDBDRG-RDJZCZTQSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001499264312 974225522 /nfs/dbraw/zinc/22/55/22/974225522.db2.gz VWFYKJNOXWRFGE-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001500007493 974350520 /nfs/dbraw/zinc/35/05/20/974350520.db2.gz SKYCFNOIOJBJIY-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001500007497 974350794 /nfs/dbraw/zinc/35/07/94/974350794.db2.gz SKYCFNOIOJBJIY-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001500347193 974426516 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C=CCC[N@@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492975069 976962782 /nfs/dbraw/zinc/96/27/82/976962782.db2.gz YTQXVKPPPZEGAN-UHFFFAOYSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001674491110 1173953471 /nfs/dbraw/zinc/95/34/71/1173953471.db2.gz KUAZRSLBFLIWRR-HNNXBMFYSA-N 2 1 289.423 1.028 10 30 CDEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001675263221 1174090168 /nfs/dbraw/zinc/09/01/68/1174090168.db2.gz NRBHYFMVCNJFNY-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001676854444 1174280583 /nfs/dbraw/zinc/28/05/83/1174280583.db2.gz UBQZOVNTANJVLK-OWCLPIDISA-N 2 1 291.439 1.177 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001569968494 1170049745 /nfs/dbraw/zinc/04/97/45/1170049745.db2.gz JXYIVHMQOKFBDS-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001570359705 1170137936 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CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600718904 342244550 /nfs/dbraw/zinc/24/45/50/342244550.db2.gz ATZNYKWBAOQLPU-OAHLLOKOSA-N 2 1 277.412 1.671 10 30 CDEEMP N#CCc1cccc2c1CC[N@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000600750996 342247406 /nfs/dbraw/zinc/24/74/06/342247406.db2.gz OJBSPWVKBLITBM-CYBMUJFWSA-N 2 1 255.365 1.720 10 30 CDEEMP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CC[NH2+]C1)C2 ZINC000600750996 342247407 /nfs/dbraw/zinc/24/74/07/342247407.db2.gz OJBSPWVKBLITBM-CYBMUJFWSA-N 2 1 255.365 1.720 10 30 CDEEMP C[C@H]([NH3+])C[NH2+]C1(c2cccc(C#N)c2)CCOCC1 ZINC000595908233 343189058 /nfs/dbraw/zinc/18/90/58/343189058.db2.gz GITKECUCWQAOID-LBPRGKRZSA-N 2 1 259.353 1.501 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCC1 ZINC000597943347 343675019 /nfs/dbraw/zinc/67/50/19/343675019.db2.gz YVFJCBZIMXOOLU-ZDUSSCGKSA-N 2 1 280.416 1.068 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCC1 ZINC000597943347 343675021 /nfs/dbraw/zinc/67/50/21/343675021.db2.gz YVFJCBZIMXOOLU-ZDUSSCGKSA-N 2 1 280.416 1.068 10 30 CDEEMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000600768887 349879489 /nfs/dbraw/zinc/87/94/89/349879489.db2.gz HOSVVIAPLNOAJY-HEHGZKQESA-N 2 1 289.379 1.870 10 30 CDEEMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394103 367822793 /nfs/dbraw/zinc/82/27/93/367822793.db2.gz XNTZKYPEVGDUON-CVEARBPZSA-N 2 1 291.439 1.849 10 30 CDEEMP CC[NH+](CC#CC[N@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597553 368926913 /nfs/dbraw/zinc/92/69/13/368926913.db2.gz ZDZRYHPWFRSFJD-HZPDHXFCSA-N 2 1 280.412 1.211 10 30 CDEEMP C#CC[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001661723866 1172435707 /nfs/dbraw/zinc/43/57/07/1172435707.db2.gz RHQYSUIKDXCYGD-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001661723866 1172435713 /nfs/dbraw/zinc/43/57/13/1172435713.db2.gz RHQYSUIKDXCYGD-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001661723866 1172435721 /nfs/dbraw/zinc/43/57/21/1172435721.db2.gz RHQYSUIKDXCYGD-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661747579 1172437462 /nfs/dbraw/zinc/43/74/62/1172437462.db2.gz BTIDPKLMQNFPNQ-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420384476 376344126 /nfs/dbraw/zinc/34/41/26/376344126.db2.gz DWLAPKOTPZGSDO-CVEARBPZSA-N 2 1 291.439 1.651 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420384476 376344131 /nfs/dbraw/zinc/34/41/31/376344131.db2.gz DWLAPKOTPZGSDO-CVEARBPZSA-N 2 1 291.439 1.651 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662718312 1172585712 /nfs/dbraw/zinc/58/57/12/1172585712.db2.gz RIZIRKCMGXQBIK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001663547161 1172720627 /nfs/dbraw/zinc/72/06/27/1172720627.db2.gz AMPKREHEEVAWRY-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001663547161 1172720611 /nfs/dbraw/zinc/72/06/11/1172720611.db2.gz AMPKREHEEVAWRY-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001663547161 1172720615 /nfs/dbraw/zinc/72/06/15/1172720615.db2.gz AMPKREHEEVAWRY-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663604198 1172734048 /nfs/dbraw/zinc/73/40/48/1172734048.db2.gz XWVPLNQNTXSZBU-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663604198 1172734052 /nfs/dbraw/zinc/73/40/52/1172734052.db2.gz XWVPLNQNTXSZBU-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001664760503 1172904840 /nfs/dbraw/zinc/90/48/40/1172904840.db2.gz UHTCFDCLDBIIFU-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001664760503 1172904845 /nfs/dbraw/zinc/90/48/45/1172904845.db2.gz UHTCFDCLDBIIFU-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001664760503 1172904850 /nfs/dbraw/zinc/90/48/50/1172904850.db2.gz UHTCFDCLDBIIFU-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729796 413391695 /nfs/dbraw/zinc/39/16/95/413391695.db2.gz XNKISAWNGCNFPD-WBVHZDCISA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748545 413426901 /nfs/dbraw/zinc/42/69/01/413426901.db2.gz AVFTZSCGUMMSBQ-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CCOCC1 ZINC000043688934 175095649 /nfs/dbraw/zinc/09/56/49/175095649.db2.gz DHJYKOPNDWODEG-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP C#CC[NH+]1CCC(NCC[N@H+](C)C2CCCC2)CC1 ZINC000071376995 176142160 /nfs/dbraw/zinc/14/21/60/176142160.db2.gz LKPNWVWVLZKTBX-UHFFFAOYSA-N 2 1 263.429 1.548 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662679667 424299609 /nfs/dbraw/zinc/29/96/09/424299609.db2.gz ATIZIHDANCNQBD-ZBFHGGJFSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668215206 1173382934 /nfs/dbraw/zinc/38/29/34/1173382934.db2.gz YFSBCOKQKUWHEF-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001669572254 1173571212 /nfs/dbraw/zinc/57/12/12/1173571212.db2.gz SWAIZMIBIICTLP-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000262440439 330013036 /nfs/dbraw/zinc/01/30/36/330013036.db2.gz HMGVJYXYXCIKIK-TZMCWYRMSA-N 2 1 280.416 1.039 10 30 CDEEMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000262440437 330013107 /nfs/dbraw/zinc/01/31/07/330013107.db2.gz HMGVJYXYXCIKIK-JSGCOSHPSA-N 2 1 280.416 1.039 10 30 CDEEMP C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NCC(C)(C)SC ZINC000262451520 330013981 /nfs/dbraw/zinc/01/39/81/330013981.db2.gz DUBFCEPIRWTHAV-LLVKDONJSA-N 2 1 272.462 1.387 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000424166508 330309306 /nfs/dbraw/zinc/30/93/06/330309306.db2.gz CMXFYXFJPNEMIM-WFASDCNBSA-N 2 1 261.369 1.828 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001691482735 1159380191 /nfs/dbraw/zinc/38/01/91/1159380191.db2.gz SPXNUWUCJPENPQ-ZNMIVQPWSA-N 2 1 281.444 1.728 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481115315 1159531438 /nfs/dbraw/zinc/53/14/38/1159531438.db2.gz WLORIMZXDZKEJH-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001481137217 1159541081 /nfs/dbraw/zinc/54/10/81/1159541081.db2.gz GPNPFWGSELZKLP-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001672537490 1159752002 /nfs/dbraw/zinc/75/20/02/1159752002.db2.gz IKVGGUYIOQHMBL-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001672537490 1159752007 /nfs/dbraw/zinc/75/20/07/1159752007.db2.gz IKVGGUYIOQHMBL-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001672537490 1159752010 /nfs/dbraw/zinc/75/20/10/1159752010.db2.gz IKVGGUYIOQHMBL-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001483400695 1160914766 /nfs/dbraw/zinc/91/47/66/1160914766.db2.gz MYQONHHIUYYTET-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001670903779 1161347218 /nfs/dbraw/zinc/34/72/18/1161347218.db2.gz RUEXKYLPHGCSNO-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001714870088 1179430037 /nfs/dbraw/zinc/43/00/37/1179430037.db2.gz NJCSPISRZMWFHI-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001714823165 1179411227 /nfs/dbraw/zinc/41/12/27/1179411227.db2.gz AARCUHSJNQHKMY-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001714823165 1179411231 /nfs/dbraw/zinc/41/12/31/1179411231.db2.gz AARCUHSJNQHKMY-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001715522651 1179698401 /nfs/dbraw/zinc/69/84/01/1179698401.db2.gz NYYYDLOOYRXACC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001715539850 1179709061 /nfs/dbraw/zinc/70/90/61/1179709061.db2.gz OTFQPYQABKOAIM-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001715539850 1179709062 /nfs/dbraw/zinc/70/90/62/1179709062.db2.gz OTFQPYQABKOAIM-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001715539850 1179709064 /nfs/dbraw/zinc/70/90/64/1179709064.db2.gz OTFQPYQABKOAIM-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001725004071 1181822274 /nfs/dbraw/zinc/82/22/74/1181822274.db2.gz VFKHPHQHEFGKHV-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001725004071 1181822281 /nfs/dbraw/zinc/82/22/81/1181822281.db2.gz VFKHPHQHEFGKHV-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001725004071 1181822289 /nfs/dbraw/zinc/82/22/89/1181822289.db2.gz VFKHPHQHEFGKHV-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP CC[C@@H](C)[NH+]1CCN(CCC[C@](C)([NH3+])C#N)CC1 ZINC000055070096 522121050 /nfs/dbraw/zinc/12/10/50/522121050.db2.gz JNFZHUANNYPEIE-KGLIPLIRSA-N 2 1 252.406 1.424 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCC1(C)C ZINC000909432310 619257962 /nfs/dbraw/zinc/25/79/62/619257962.db2.gz URJUAIMZSMJZTO-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000909436408 619262471 /nfs/dbraw/zinc/26/24/71/619262471.db2.gz MPWYXTXVTLLIPO-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898839149 621889074 /nfs/dbraw/zinc/88/90/74/621889074.db2.gz KTDVUCXFZWFEPK-ZNMIVQPWSA-N 2 1 289.423 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898839149 621889077 /nfs/dbraw/zinc/88/90/77/621889077.db2.gz KTDVUCXFZWFEPK-ZNMIVQPWSA-N 2 1 289.423 1.073 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000901134342 623893032 /nfs/dbraw/zinc/89/30/32/623893032.db2.gz GOSRCYDNZWMJTL-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C[N@@H+](CCN1CC[NH2+]CC1)CC1CCC(C#N)CC1 ZINC000903423377 625993857 /nfs/dbraw/zinc/99/38/57/625993857.db2.gz TUVYGXCCVMLPCE-UHFFFAOYSA-N 2 1 264.417 1.153 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491960 626010957 /nfs/dbraw/zinc/01/09/57/626010957.db2.gz HONOEGOGYVJEPH-SCRDCRAPSA-N 2 1 252.358 1.165 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000908357760 628175247 /nfs/dbraw/zinc/17/52/47/628175247.db2.gz JBHGSCHZQUINHL-CQSZACIVSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@H+](CC)[C@H](C)C(=O)N1CCN(CC)CC1 ZINC000934649052 682745186 /nfs/dbraw/zinc/74/51/86/682745186.db2.gz IKZFCHDEYFMUAE-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934649052 682745187 /nfs/dbraw/zinc/74/51/87/682745187.db2.gz IKZFCHDEYFMUAE-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@H+](CC)[C@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000934649052 682745188 /nfs/dbraw/zinc/74/51/88/682745188.db2.gz IKZFCHDEYFMUAE-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C[C@@H]1CNC(NN=C2CC[N@@H+](Cc3ccccc3)C[C@H]2C)=[NH+]1 ZINC000779802573 679865164 /nfs/dbraw/zinc/86/51/64/679865164.db2.gz ITWQIZRNGLPIJB-ZIAGYGMSSA-N 2 1 299.422 1.822 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723665594 681534164 /nfs/dbraw/zinc/53/41/64/681534164.db2.gz ZGVOAPBTSKRCJS-OWCLPIDISA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1 ZINC000723665594 681534178 /nfs/dbraw/zinc/53/41/78/681534178.db2.gz ZGVOAPBTSKRCJS-OWCLPIDISA-N 2 1 264.413 1.736 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCCCC1 ZINC000104168205 682719375 /nfs/dbraw/zinc/71/93/75/682719375.db2.gz AKIAJAONGKWVGR-ZDUSSCGKSA-N 2 1 252.406 1.661 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923366239 683729637 /nfs/dbraw/zinc/72/96/37/683729637.db2.gz ILJJJZLBAQMBPI-IAGOWNOFSA-N 2 1 285.391 1.667 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000923366239 683729644 /nfs/dbraw/zinc/72/96/44/683729644.db2.gz ILJJJZLBAQMBPI-IAGOWNOFSA-N 2 1 285.391 1.667 10 30 CDEEMP C[N@@H+]1C[C@]2(C)C[NH+](CCCSCC#N)C[C@]2(C)C1 ZINC000931311723 683926242 /nfs/dbraw/zinc/92/62/42/683926242.db2.gz SDGVJZMLMMCLHO-OKILXGFUSA-N 2 1 267.442 1.907 10 30 CDEEMP C[N@H+]1C[C@]2(C)C[NH+](CCCSCC#N)C[C@]2(C)C1 ZINC000931311723 683926244 /nfs/dbraw/zinc/92/62/44/683926244.db2.gz SDGVJZMLMMCLHO-OKILXGFUSA-N 2 1 267.442 1.907 10 30 CDEEMP C[NH+]1C[C@]2(C)C[N@H+](CCCSCC#N)C[C@]2(C)C1 ZINC000931311723 683926245 /nfs/dbraw/zinc/92/62/45/683926245.db2.gz SDGVJZMLMMCLHO-OKILXGFUSA-N 2 1 267.442 1.907 10 30 CDEEMP C[NH+]1C[C@]2(C)C[N@@H+](CCCSCC#N)C[C@]2(C)C1 ZINC000931311723 683926246 /nfs/dbraw/zinc/92/62/46/683926246.db2.gz SDGVJZMLMMCLHO-OKILXGFUSA-N 2 1 267.442 1.907 10 30 CDEEMP Cc1cccc(NC(=[NH2+])NC[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000304759894 683972356 /nfs/dbraw/zinc/97/23/56/683972356.db2.gz RRMUWPZNCYESFK-CQSZACIVSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=C)C ZINC001772517187 1158553437 /nfs/dbraw/zinc/55/34/37/1158553437.db2.gz ZDSGWDYCNIPQDT-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=C)C ZINC001772517187 1158553440 /nfs/dbraw/zinc/55/34/40/1158553440.db2.gz ZDSGWDYCNIPQDT-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691043679 1158689300 /nfs/dbraw/zinc/68/93/00/1158689300.db2.gz VIEMMCJSVWHYBA-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001691043679 1158689304 /nfs/dbraw/zinc/68/93/04/1158689304.db2.gz VIEMMCJSVWHYBA-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001691043679 1158689308 /nfs/dbraw/zinc/68/93/08/1158689308.db2.gz VIEMMCJSVWHYBA-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001691105389 1158910515 /nfs/dbraw/zinc/91/05/15/1158910515.db2.gz BCIGUACTUUUVKF-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001691105389 1158910520 /nfs/dbraw/zinc/91/05/20/1158910520.db2.gz BCIGUACTUUUVKF-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001691105389 1158910523 /nfs/dbraw/zinc/91/05/23/1158910523.db2.gz BCIGUACTUUUVKF-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001731372340 1159292994 /nfs/dbraw/zinc/29/29/94/1159292994.db2.gz LGAGFUGNWOOTSZ-STQMWFEESA-N 2 1 271.380 1.043 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531462 1159739301 /nfs/dbraw/zinc/73/93/01/1159739301.db2.gz VDEKAFLQXVYEFE-HUUCEWRRSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001567713069 1168927737 /nfs/dbraw/zinc/92/77/37/1168927737.db2.gz VJHPPUMXJSUNIP-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001567713069 1168927741 /nfs/dbraw/zinc/92/77/41/1168927741.db2.gz VJHPPUMXJSUNIP-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001567713069 1168927748 /nfs/dbraw/zinc/92/77/48/1168927748.db2.gz VJHPPUMXJSUNIP-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001569066203 1169627118 /nfs/dbraw/zinc/62/71/18/1169627118.db2.gz MXWXIXPITHEAAP-ZDUSSCGKSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC001652019414 1171389155 /nfs/dbraw/zinc/38/91/55/1171389155.db2.gz WGQLEODDBJVBRF-GOEBONIOSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001661077658 1172331444 /nfs/dbraw/zinc/33/14/44/1172331444.db2.gz FXUXJNGKSJOJPS-OAHLLOKOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001661554595 1172405079 /nfs/dbraw/zinc/40/50/79/1172405079.db2.gz DAVSPIBIVSQAEW-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554595 1172405087 /nfs/dbraw/zinc/40/50/87/1172405087.db2.gz DAVSPIBIVSQAEW-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554595 1172405097 /nfs/dbraw/zinc/40/50/97/1172405097.db2.gz DAVSPIBIVSQAEW-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001661792990 1172447813 /nfs/dbraw/zinc/44/78/13/1172447813.db2.gz JYOYVNXPBUMCOD-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662728129 1172586179 /nfs/dbraw/zinc/58/61/79/1172586179.db2.gz NOJTVSCLZVWSOG-WBVHZDCISA-N 2 1 299.418 1.361 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001663397031 1172685756 /nfs/dbraw/zinc/68/57/56/1172685756.db2.gz RHJFWYZJQCUQFA-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001663397031 1172685761 /nfs/dbraw/zinc/68/57/61/1172685761.db2.gz RHJFWYZJQCUQFA-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001663397031 1172685765 /nfs/dbraw/zinc/68/57/65/1172685765.db2.gz RHJFWYZJQCUQFA-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001663393508 1172686252 /nfs/dbraw/zinc/68/62/52/1172686252.db2.gz SVLCHDCRYYAICU-VXGBXAGGSA-N 2 1 262.357 1.137 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001673478446 1173859162 /nfs/dbraw/zinc/85/91/62/1173859162.db2.gz JDZPKOMDCSADIB-UHFFFAOYSA-N 2 1 297.443 1.065 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001673478446 1173859170 /nfs/dbraw/zinc/85/91/70/1173859170.db2.gz JDZPKOMDCSADIB-UHFFFAOYSA-N 2 1 297.443 1.065 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001676813612 1174277424 /nfs/dbraw/zinc/27/74/24/1174277424.db2.gz BAFXJEYANWIIMD-OFQRWUPVSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001691760138 1174688238 /nfs/dbraw/zinc/68/82/38/1174688238.db2.gz LHJJCKYWAMAYOQ-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001691760138 1174688242 /nfs/dbraw/zinc/68/82/42/1174688242.db2.gz LHJJCKYWAMAYOQ-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001691760138 1174688246 /nfs/dbraw/zinc/68/82/46/1174688246.db2.gz LHJJCKYWAMAYOQ-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC(C)(C)C1 ZINC001689366191 1175154205 /nfs/dbraw/zinc/15/42/05/1175154205.db2.gz YPWBPAMHYHEDDY-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001689366191 1175154214 /nfs/dbraw/zinc/15/42/14/1175154214.db2.gz YPWBPAMHYHEDDY-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001689366191 1175154216 /nfs/dbraw/zinc/15/42/16/1175154216.db2.gz YPWBPAMHYHEDDY-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690818238 1175580317 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CC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001267571553 898442674 /nfs/dbraw/zinc/44/26/74/898442674.db2.gz NSZKZUIMTAOKIH-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001481041595 898660855 /nfs/dbraw/zinc/66/08/55/898660855.db2.gz IJYDJCVANPEWFF-CABCVRRESA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001481229309 899513296 /nfs/dbraw/zinc/51/32/96/899513296.db2.gz RFINVDHZHFPOGX-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267830697 899832971 /nfs/dbraw/zinc/83/29/71/899832971.db2.gz GHVNYMDCDTUPHM-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001567714560 1168932369 /nfs/dbraw/zinc/93/23/69/1168932369.db2.gz OFOSRUWPRXHBHM-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001567714560 1168932375 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CDEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001482499402 906675940 /nfs/dbraw/zinc/67/59/40/906675940.db2.gz QAXRBZVGTQGLSG-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001271930282 906989614 /nfs/dbraw/zinc/98/96/14/906989614.db2.gz NSQFJHMPRVHGGZ-ZDUSSCGKSA-N 2 1 264.373 1.108 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001482666528 908161464 /nfs/dbraw/zinc/16/14/64/908161464.db2.gz PRZHZUWBZIANGT-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001568000344 1169113066 /nfs/dbraw/zinc/11/30/66/1169113066.db2.gz OUSHFLUCTXCASP-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001483448657 911133595 /nfs/dbraw/zinc/13/35/95/911133595.db2.gz XJXHNMGYEMFZLU-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+](C)C ZINC001272675052 914972778 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CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001485340973 916856790 /nfs/dbraw/zinc/85/67/90/916856790.db2.gz AJJHWCAHCXRIQQ-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485821425 918077361 /nfs/dbraw/zinc/07/73/61/918077361.db2.gz ZYQFRAWQXXJGRU-CABCVRRESA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001273523713 920102959 /nfs/dbraw/zinc/10/29/59/920102959.db2.gz CZYFNIVCEYGMML-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001273523713 920102972 /nfs/dbraw/zinc/10/29/72/920102972.db2.gz CZYFNIVCEYGMML-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001273523713 920102981 /nfs/dbraw/zinc/10/29/81/920102981.db2.gz CZYFNIVCEYGMML-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001568325835 1169247171 /nfs/dbraw/zinc/24/71/71/1169247171.db2.gz QTWVAIGCVXJDGC-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001491238133 936881004 /nfs/dbraw/zinc/88/10/04/936881004.db2.gz YZIOFVWNOAOHID-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001491238133 936881005 /nfs/dbraw/zinc/88/10/05/936881005.db2.gz YZIOFVWNOAOHID-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001491238133 936881007 /nfs/dbraw/zinc/88/10/07/936881007.db2.gz YZIOFVWNOAOHID-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001490377115 927140672 /nfs/dbraw/zinc/14/06/72/927140672.db2.gz UKMOZRGVXGBUQE-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001490377115 927140679 /nfs/dbraw/zinc/14/06/79/927140679.db2.gz UKMOZRGVXGBUQE-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001490377115 927140684 /nfs/dbraw/zinc/14/06/84/927140684.db2.gz UKMOZRGVXGBUQE-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551199 927210294 /nfs/dbraw/zinc/21/02/94/927210294.db2.gz IKODTMADVZYEQY-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551199 927210299 /nfs/dbraw/zinc/21/02/99/927210299.db2.gz IKODTMADVZYEQY-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551383 927220436 /nfs/dbraw/zinc/22/04/36/927220436.db2.gz UISPJPJHVYZHHM-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551383 927220443 /nfs/dbraw/zinc/22/04/43/927220443.db2.gz UISPJPJHVYZHHM-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001319587832 931231331 /nfs/dbraw/zinc/23/13/31/931231331.db2.gz BCQTXFFHRYYDCF-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001319587832 931231337 /nfs/dbraw/zinc/23/13/37/931231337.db2.gz BCQTXFFHRYYDCF-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001274278786 931487292 /nfs/dbraw/zinc/48/72/92/931487292.db2.gz BRQJMWJAYDNMPB-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001274888554 931599718 /nfs/dbraw/zinc/59/97/18/931599718.db2.gz OORDQQUXHANDIP-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001274943947 931614261 /nfs/dbraw/zinc/61/42/61/931614261.db2.gz KDPOERVNBZKWKN-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568630485 1169406624 /nfs/dbraw/zinc/40/66/24/1169406624.db2.gz DSMBTPVCCWAZKR-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC001122108324 937905912 /nfs/dbraw/zinc/90/59/12/937905912.db2.gz NYJKVERQOFALPM-UONOGXRCSA-N 2 1 267.417 1.469 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001280832593 940438278 /nfs/dbraw/zinc/43/82/78/940438278.db2.gz NNNFVBDLEFNGBH-UHFFFAOYSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276717569 940855284 /nfs/dbraw/zinc/85/52/84/940855284.db2.gz PXMZKAZNVYPOHV-XQLPTFJDSA-N 2 1 279.428 1.197 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867779 941661393 /nfs/dbraw/zinc/66/13/93/941661393.db2.gz UFNYMDYIYVKUGY-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CC1 ZINC001277079663 941922008 /nfs/dbraw/zinc/92/20/08/941922008.db2.gz JGBVKSLUYDOHJM-CABCVRRESA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](C)CC)CC1 ZINC001277079663 941922010 /nfs/dbraw/zinc/92/20/10/941922010.db2.gz JGBVKSLUYDOHJM-CABCVRRESA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001281663259 942604850 /nfs/dbraw/zinc/60/48/50/942604850.db2.gz BRMYCSIZJHKYMR-ZIAGYGMSSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001281663259 942604853 /nfs/dbraw/zinc/60/48/53/942604853.db2.gz BRMYCSIZJHKYMR-ZIAGYGMSSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001281663259 942604857 /nfs/dbraw/zinc/60/48/57/942604857.db2.gz BRMYCSIZJHKYMR-ZIAGYGMSSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001283556432 942932119 /nfs/dbraw/zinc/93/21/19/942932119.db2.gz LWRYHDLSKZHSFO-HUUCEWRRSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001277576067 943025977 /nfs/dbraw/zinc/02/59/77/943025977.db2.gz DJEUCGHVYZEUDW-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001284950067 943298107 /nfs/dbraw/zinc/29/81/07/943298107.db2.gz ZEJGZVGLXMLMFB-UHFFFAOYSA-N 2 1 289.423 1.100 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265590560 944440819 /nfs/dbraw/zinc/44/08/19/944440819.db2.gz CHXOQZUBPGORDB-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590560 944440825 /nfs/dbraw/zinc/44/08/25/944440825.db2.gz CHXOQZUBPGORDB-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001265590560 944440829 /nfs/dbraw/zinc/44/08/29/944440829.db2.gz CHXOQZUBPGORDB-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265822984 944525604 /nfs/dbraw/zinc/52/56/04/944525604.db2.gz BNMZDDSMARVGIA-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001266110594 944686435 /nfs/dbraw/zinc/68/64/35/944686435.db2.gz LBMBWEGSWKAQMH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266117471 944694068 /nfs/dbraw/zinc/69/40/68/944694068.db2.gz UEYNKKMWFFLNHM-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001266117471 944694074 /nfs/dbraw/zinc/69/40/74/944694074.db2.gz UEYNKKMWFFLNHM-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001266117471 944694080 /nfs/dbraw/zinc/69/40/80/944694080.db2.gz UEYNKKMWFFLNHM-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001266149487 944715118 /nfs/dbraw/zinc/71/51/18/944715118.db2.gz XJVAVUZCEJSFIB-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266224988 944769636 /nfs/dbraw/zinc/76/96/36/944769636.db2.gz HXOXTQULLZXJEB-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266224988 944769643 /nfs/dbraw/zinc/76/96/43/944769643.db2.gz HXOXTQULLZXJEB-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278580742 950258235 /nfs/dbraw/zinc/25/82/35/950258235.db2.gz SBCUOQGPROTVDF-GJZGRUSLSA-N 2 1 288.395 1.089 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001278657029 951168677 /nfs/dbraw/zinc/16/86/77/951168677.db2.gz VJOUPHBYENVBGY-AWEZNQCLSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(C)C[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001253528780 951939476 /nfs/dbraw/zinc/93/94/76/951939476.db2.gz IFHTWRXIDMRQAZ-UHFFFAOYSA-N 2 1 288.395 1.302 10 30 CDEEMP C=C(C)C[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001253528780 951939481 /nfs/dbraw/zinc/93/94/81/951939481.db2.gz IFHTWRXIDMRQAZ-UHFFFAOYSA-N 2 1 288.395 1.302 10 30 CDEEMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001324648081 953494933 /nfs/dbraw/zinc/49/49/33/953494933.db2.gz SJWHXBHZSOGBHB-GOEBONIOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001324826932 953595298 /nfs/dbraw/zinc/59/52/98/953595298.db2.gz TZOWJEXEXGUCSC-GDBMZVCRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231574 971990449 /nfs/dbraw/zinc/99/04/49/971990449.db2.gz XQEIAQROGVNSCC-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001326285160 954302678 /nfs/dbraw/zinc/30/26/78/954302678.db2.gz AXNHJBQYXBDTRQ-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001493375457 972035833 /nfs/dbraw/zinc/03/58/33/972035833.db2.gz IFNWXGWZBJXHBA-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001493375457 972035838 /nfs/dbraw/zinc/03/58/38/972035838.db2.gz IFNWXGWZBJXHBA-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001493375457 972035845 /nfs/dbraw/zinc/03/58/45/972035845.db2.gz IFNWXGWZBJXHBA-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC001297373053 955017383 /nfs/dbraw/zinc/01/73/83/955017383.db2.gz MCSYSCVUQFSSSP-UHFFFAOYSA-N 2 1 265.401 1.049 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001327969430 955137348 /nfs/dbraw/zinc/13/73/48/955137348.db2.gz HYXQQUIDDSOPBI-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492423215 955882218 /nfs/dbraw/zinc/88/22/18/955882218.db2.gz NIOHUPWBIZCYIY-MRXNPFEDSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492423215 955882229 /nfs/dbraw/zinc/88/22/29/955882229.db2.gz NIOHUPWBIZCYIY-MRXNPFEDSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492423215 955882239 /nfs/dbraw/zinc/88/22/39/955882239.db2.gz NIOHUPWBIZCYIY-MRXNPFEDSA-N 2 1 297.418 1.270 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001494021973 972164150 /nfs/dbraw/zinc/16/41/50/972164150.db2.gz QCHGMUNUGGPBHS-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001494021973 972164152 /nfs/dbraw/zinc/16/41/52/972164152.db2.gz QCHGMUNUGGPBHS-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001494021973 972164158 /nfs/dbraw/zinc/16/41/58/972164158.db2.gz QCHGMUNUGGPBHS-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316775037 957008336 /nfs/dbraw/zinc/00/83/36/957008336.db2.gz PGNSPBADJUDELY-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001316926746 957130782 /nfs/dbraw/zinc/13/07/82/957130782.db2.gz MHXUTDYSFBTTBH-CYBMUJFWSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001316926746 957130784 /nfs/dbraw/zinc/13/07/84/957130784.db2.gz MHXUTDYSFBTTBH-CYBMUJFWSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001316926746 957130785 /nfs/dbraw/zinc/13/07/85/957130785.db2.gz MHXUTDYSFBTTBH-CYBMUJFWSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001316926746 957130786 /nfs/dbraw/zinc/13/07/86/957130786.db2.gz MHXUTDYSFBTTBH-CYBMUJFWSA-N 2 1 299.846 1.661 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001316992294 957187085 /nfs/dbraw/zinc/18/70/85/957187085.db2.gz YXUVIBJBCHMGBB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316992294 957187095 /nfs/dbraw/zinc/18/70/95/957187095.db2.gz YXUVIBJBCHMGBB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001317304009 957413549 /nfs/dbraw/zinc/41/35/49/957413549.db2.gz MBBWMOYKDTUUSW-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317533716 957533442 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CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502968533 974806095 /nfs/dbraw/zinc/80/60/95/974806095.db2.gz MMZFKSLDMOQNOI-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505455496 974885559 /nfs/dbraw/zinc/88/55/59/974885559.db2.gz BQSZKYYBZVRAPE-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001506751472 975216643 /nfs/dbraw/zinc/21/66/43/975216643.db2.gz VFYPFANMYORFNX-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001506751472 975216648 /nfs/dbraw/zinc/21/66/48/975216648.db2.gz VFYPFANMYORFNX-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001506751472 975216650 /nfs/dbraw/zinc/21/66/50/975216650.db2.gz VFYPFANMYORFNX-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(Cl)CN1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001399929246 976753322 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Cc1cc(C#N)cc(C)c1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000903458934 625994675 /nfs/dbraw/zinc/99/46/75/625994675.db2.gz NHXQFLYJOZWRGL-OAHLLOKOSA-N 2 1 273.380 1.725 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@H](C(C)(C)C)C1 ZINC000912030296 629724327 /nfs/dbraw/zinc/72/43/27/629724327.db2.gz DZJSGACSAJVQQA-ZDUSSCGKSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](CC)C1 ZINC000912400983 629987004 /nfs/dbraw/zinc/98/70/04/629987004.db2.gz PZKJAMPIWPNABR-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C[N@H+]1CCC[C@H]1CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912509239 630049563 /nfs/dbraw/zinc/04/95/63/630049563.db2.gz YFUPLFKUQVANAF-UONOGXRCSA-N 2 1 296.459 1.593 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266409599 1158534606 /nfs/dbraw/zinc/53/46/06/1158534606.db2.gz MURIECTZVATLHV-HOTGVXAUSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001691023567 1158538794 /nfs/dbraw/zinc/53/87/94/1158538794.db2.gz JSTGMJKJFYHKRR-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001691023567 1158538797 /nfs/dbraw/zinc/53/87/97/1158538797.db2.gz JSTGMJKJFYHKRR-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001691023567 1158538799 /nfs/dbraw/zinc/53/87/99/1158538799.db2.gz JSTGMJKJFYHKRR-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1C[C@@H]1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261941707 684550517 /nfs/dbraw/zinc/55/05/17/684550517.db2.gz DRDOTZBYDKVKBI-LJISPDSOSA-N 2 1 280.460 1.926 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000863032175 684759317 /nfs/dbraw/zinc/75/93/17/684759317.db2.gz MQEDKEPLJDTLHZ-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)[C@@H](CO)N1CCC([N@H+]2CCCOCC2)CC1 ZINC000931286621 684814436 /nfs/dbraw/zinc/81/44/36/684814436.db2.gz LOEVGCUKNHZERC-OAHLLOKOSA-N 2 1 268.401 1.110 10 30 CDEEMP N#CCc1cccc2c1CC[N@@H+](C[C@@H]1CC3(C[NH2+]C3)CO1)C2 ZINC000923412560 684843669 /nfs/dbraw/zinc/84/36/69/684843669.db2.gz ZWDKBQXEKWIZNQ-INIZCTEOSA-N 2 1 297.402 1.489 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000852358146 684862500 /nfs/dbraw/zinc/86/25/00/684862500.db2.gz NRCLOELMUYBDKE-CQSZACIVSA-N 2 1 294.443 1.114 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000852358146 684862501 /nfs/dbraw/zinc/86/25/01/684862501.db2.gz NRCLOELMUYBDKE-CQSZACIVSA-N 2 1 294.443 1.114 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000852358146 684862502 /nfs/dbraw/zinc/86/25/02/684862502.db2.gz NRCLOELMUYBDKE-CQSZACIVSA-N 2 1 294.443 1.114 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1c1ccccc1 ZINC000303792256 684880583 /nfs/dbraw/zinc/88/05/83/684880583.db2.gz YIPZTCBNKZGBCY-OAGGEKHMSA-N 2 1 286.423 1.931 10 30 CDEEMP C#C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417599 684955108 /nfs/dbraw/zinc/95/51/08/684955108.db2.gz AYXRTPNRSWSVQM-HUUCEWRRSA-N 2 1 264.413 1.877 10 30 CDEEMP C#C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417599 684955113 /nfs/dbraw/zinc/95/51/13/684955113.db2.gz AYXRTPNRSWSVQM-HUUCEWRRSA-N 2 1 264.413 1.877 10 30 CDEEMP C[NH+]=C(NCC(F)F)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262012720 685851599 /nfs/dbraw/zinc/85/15/99/685851599.db2.gz XBJNTMNQXZRILF-NXEZZACHSA-N 2 1 262.348 1.145 10 30 CDEEMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000198930389 686538306 /nfs/dbraw/zinc/53/83/06/686538306.db2.gz XVELLNWIAHWXMM-LBPRGKRZSA-N 2 1 252.406 1.565 10 30 CDEEMP CCNC(NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)=[NH+]CC ZINC000849214561 686857224 /nfs/dbraw/zinc/85/72/24/686857224.db2.gz QRLBTMDLZTVYTP-BETUJISGSA-N 2 1 254.422 1.824 10 30 CDEEMP C#CCOCC[N@H+](C)[C@H]1CCC[NH+](CCOCC#C)CC1 ZINC000851866678 687019982 /nfs/dbraw/zinc/01/99/82/687019982.db2.gz QDMQXIDJOAROON-KRWDZBQOSA-N 2 1 292.423 1.072 10 30 CDEEMP C#CCOCC[NH+](C)[C@H]1CCC[N@H+](CCOCC#C)CC1 ZINC000851866678 687019989 /nfs/dbraw/zinc/01/99/89/687019989.db2.gz QDMQXIDJOAROON-KRWDZBQOSA-N 2 1 292.423 1.072 10 30 CDEEMP C#CCOCC[NH+](C)[C@H]1CCC[N@@H+](CCOCC#C)CC1 ZINC000851866678 687019992 /nfs/dbraw/zinc/01/99/92/687019992.db2.gz QDMQXIDJOAROON-KRWDZBQOSA-N 2 1 292.423 1.072 10 30 CDEEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCc1ccc(C#N)cc1)C2 ZINC000872154461 687502465 /nfs/dbraw/zinc/50/24/65/687502465.db2.gz QKAQLVVUUJKWDK-JKSUJKDBSA-N 2 1 255.365 1.642 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690338071 1175443620 /nfs/dbraw/zinc/44/36/20/1175443620.db2.gz KPGGGKOVKQADQC-YIYPIFLZSA-N 2 1 265.401 1.140 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001690821371 1158778272 /nfs/dbraw/zinc/77/82/72/1158778272.db2.gz VEVCEGUDFYOJGW-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001690821371 1158778276 /nfs/dbraw/zinc/77/82/76/1158778276.db2.gz VEVCEGUDFYOJGW-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001690821371 1158778279 /nfs/dbraw/zinc/77/82/79/1158778279.db2.gz VEVCEGUDFYOJGW-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC001263275044 1167442411 /nfs/dbraw/zinc/44/24/11/1167442411.db2.gz UESFOAOYEHSZDR-MNOVXSKESA-N 2 1 259.781 1.057 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001566923572 1168468142 /nfs/dbraw/zinc/46/81/42/1168468142.db2.gz VLLDICPCSCOKSF-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568753571 1169462331 /nfs/dbraw/zinc/46/23/31/1169462331.db2.gz GXEDWCGPURXQKQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570399636 1170151358 /nfs/dbraw/zinc/15/13/58/1170151358.db2.gz HDCKNUPHGDDGFK-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571664887 1170515065 /nfs/dbraw/zinc/51/50/65/1170515065.db2.gz ZMOGCBXIEFHPAE-NFOMZHRRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001661027944 1172324116 /nfs/dbraw/zinc/32/41/16/1172324116.db2.gz FEFJRTLMKUJRIS-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001661027944 1172324124 /nfs/dbraw/zinc/32/41/24/1172324124.db2.gz FEFJRTLMKUJRIS-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001662646243 1172575506 /nfs/dbraw/zinc/57/55/06/1172575506.db2.gz PFQKAQMAALVGFE-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001662801082 1172596477 /nfs/dbraw/zinc/59/64/77/1172596477.db2.gz CHIMHXJRPAHSAH-KRWDZBQOSA-N 2 1 299.418 1.162 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001664806666 1172913601 /nfs/dbraw/zinc/91/36/01/1172913601.db2.gz ISOCDQAOBFTYCL-HOCLYGCPSA-N 2 1 291.439 1.295 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CC1 ZINC001666563265 1173151763 /nfs/dbraw/zinc/15/17/63/1173151763.db2.gz KTDIHCJQTNZAFE-HOCLYGCPSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CC1 ZINC001666563265 1173151768 /nfs/dbraw/zinc/15/17/68/1173151768.db2.gz KTDIHCJQTNZAFE-HOCLYGCPSA-N 2 1 291.439 1.226 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669838304 1173616816 /nfs/dbraw/zinc/61/68/16/1173616816.db2.gz KTWDHRIVSBBGCB-ZDUSSCGKSA-N 2 1 298.390 1.716 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001672562981 1173783635 /nfs/dbraw/zinc/78/36/35/1173783635.db2.gz OWMFUJJUPQYISC-LSDHHAIUSA-N 2 1 291.439 1.437 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001690392355 1175459211 /nfs/dbraw/zinc/45/92/11/1175459211.db2.gz VRHSAVGGRNIOOQ-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001691972210 1175660352 /nfs/dbraw/zinc/66/03/52/1175660352.db2.gz NJAONJSNCOOPRK-OAHLLOKOSA-N 2 1 290.411 1.548 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001691972210 1175660357 /nfs/dbraw/zinc/66/03/57/1175660357.db2.gz NJAONJSNCOOPRK-OAHLLOKOSA-N 2 1 290.411 1.548 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCC2)C1 ZINC001698585453 1175857521 /nfs/dbraw/zinc/85/75/21/1175857521.db2.gz DUSLLGXCDDSAEH-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699098446 1176092695 /nfs/dbraw/zinc/09/26/95/1176092695.db2.gz DJBMTUKJSVVOEX-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001699363336 1176316494 /nfs/dbraw/zinc/31/64/94/1176316494.db2.gz POLJPNZZEGGUIE-CHWSQXEVSA-N 2 1 278.400 1.677 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001699423611 1176388062 /nfs/dbraw/zinc/38/80/62/1176388062.db2.gz YCCZCNLXNAVQMK-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)Cc1cncn1C ZINC001700194188 1176792562 /nfs/dbraw/zinc/79/25/62/1176792562.db2.gz LKKFSIJLCFFUSQ-UHFFFAOYSA-N 2 1 278.400 1.319 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001712977210 1178280737 /nfs/dbraw/zinc/28/07/37/1178280737.db2.gz QMXAXZOXOCXUNR-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001712977210 1178280740 /nfs/dbraw/zinc/28/07/40/1178280740.db2.gz QMXAXZOXOCXUNR-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001712977210 1178280745 /nfs/dbraw/zinc/28/07/45/1178280745.db2.gz QMXAXZOXOCXUNR-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001713457716 1178577480 /nfs/dbraw/zinc/57/74/80/1178577480.db2.gz LIAITSGIOXGGNH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001713457716 1178577487 /nfs/dbraw/zinc/57/74/87/1178577487.db2.gz LIAITSGIOXGGNH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001713457716 1178577490 /nfs/dbraw/zinc/57/74/90/1178577490.db2.gz LIAITSGIOXGGNH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001713866294 1178801543 /nfs/dbraw/zinc/80/15/43/1178801543.db2.gz MZDQZTYWSBLXHM-YUELXQCFSA-N 2 1 279.428 1.387 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714049577 1178945672 /nfs/dbraw/zinc/94/56/72/1178945672.db2.gz KMLLKEWAVUUFIN-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714049577 1178945676 /nfs/dbraw/zinc/94/56/76/1178945676.db2.gz KMLLKEWAVUUFIN-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714049577 1178945681 /nfs/dbraw/zinc/94/56/81/1178945681.db2.gz KMLLKEWAVUUFIN-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715033663 1179519024 /nfs/dbraw/zinc/51/90/24/1179519024.db2.gz YGYCSSLWGCBVMO-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001715098763 1179551274 /nfs/dbraw/zinc/55/12/74/1179551274.db2.gz PVTUNHOHNSNLLV-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001715115375 1179556484 /nfs/dbraw/zinc/55/64/84/1179556484.db2.gz SJBITOUTPWOWKV-KRWDZBQOSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715290166 1179612068 /nfs/dbraw/zinc/61/20/68/1179612068.db2.gz FKKOXBDHRKKUHR-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C)C(C)C ZINC001715489313 1179680903 /nfs/dbraw/zinc/68/09/03/1179680903.db2.gz GKQHDIXQWVEHTL-CABCVRRESA-N 2 1 277.412 1.000 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C)C(C)C ZINC001715489313 1179680907 /nfs/dbraw/zinc/68/09/07/1179680907.db2.gz GKQHDIXQWVEHTL-CABCVRRESA-N 2 1 277.412 1.000 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715535526 1179707068 /nfs/dbraw/zinc/70/70/68/1179707068.db2.gz VDPXPJOGNWQCLN-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001715544053 1179710000 /nfs/dbraw/zinc/71/00/00/1179710000.db2.gz IXFQCCHSUGPNSD-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001715591425 1179727586 /nfs/dbraw/zinc/72/75/86/1179727586.db2.gz AYBKLMHTSYJLRF-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715827726 1179853015 /nfs/dbraw/zinc/85/30/15/1179853015.db2.gz LGUWAFWSMYFLLM-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001716041884 1180017292 /nfs/dbraw/zinc/01/72/92/1180017292.db2.gz VWTSLLZWUBLRCX-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](F)CC ZINC001716222104 1180109133 /nfs/dbraw/zinc/10/91/33/1180109133.db2.gz OCWLPYNHEVAKMJ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](F)CC ZINC001716222104 1180109141 /nfs/dbraw/zinc/10/91/41/1180109141.db2.gz OCWLPYNHEVAKMJ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001716685309 1180368142 /nfs/dbraw/zinc/36/81/42/1180368142.db2.gz XBIPMYPIZUJFNY-ZDUSSCGKSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001717514461 1180720052 /nfs/dbraw/zinc/72/00/52/1180720052.db2.gz QSQBJPGRSOOZEX-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001717606479 1180756029 /nfs/dbraw/zinc/75/60/29/1180756029.db2.gz UCBNXSVGABRQEN-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001717606479 1180756033 /nfs/dbraw/zinc/75/60/33/1180756033.db2.gz UCBNXSVGABRQEN-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001717606479 1180756040 /nfs/dbraw/zinc/75/60/40/1180756040.db2.gz UCBNXSVGABRQEN-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001717796659 1180859269 /nfs/dbraw/zinc/85/92/69/1180859269.db2.gz SYZKEUCKGYEYEN-HUUCEWRRSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001717994210 1180961821 /nfs/dbraw/zinc/96/18/21/1180961821.db2.gz WCDPHDUKTZLXBL-NRXISQOPSA-N 2 1 277.412 1.073 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722916970 1181494209 /nfs/dbraw/zinc/49/42/09/1181494209.db2.gz QCKSUFQNLUUGRG-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001723699100 1181594937 /nfs/dbraw/zinc/59/49/37/1181594937.db2.gz DFCLCSGWYMXGEB-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724221664 1181656389 /nfs/dbraw/zinc/65/63/89/1181656389.db2.gz AWRSKIMAFCKJHZ-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724232977 1181657081 /nfs/dbraw/zinc/65/70/81/1181657081.db2.gz IKFKQZZJSYJHPP-MRXNPFEDSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001724704578 1181729435 /nfs/dbraw/zinc/72/94/35/1181729435.db2.gz BVNBPEBVEHDMRM-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001724848579 1181773303 /nfs/dbraw/zinc/77/33/03/1181773303.db2.gz NROBWVKERMFQHF-HUUCEWRRSA-N 2 1 290.411 1.991 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725063616 1181841382 /nfs/dbraw/zinc/84/13/82/1181841382.db2.gz CNIIEBTVHUQDJY-YMAMQOFZSA-N 2 1 279.428 1.530 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001725111618 1181867344 /nfs/dbraw/zinc/86/73/44/1181867344.db2.gz UMTBRZIGDMUEQR-KGLIPLIRSA-N 2 1 290.411 1.513 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725183590 1181911101 /nfs/dbraw/zinc/91/11/01/1181911101.db2.gz WCGXNMLDRQQPBQ-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725183590 1181911107 /nfs/dbraw/zinc/91/11/07/1181911107.db2.gz WCGXNMLDRQQPBQ-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725183590 1181911113 /nfs/dbraw/zinc/91/11/13/1181911113.db2.gz WCGXNMLDRQQPBQ-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001731269526 1182285822 /nfs/dbraw/zinc/28/58/22/1182285822.db2.gz DRIPXRANAOQTJS-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001731542242 1182442239 /nfs/dbraw/zinc/44/22/39/1182442239.db2.gz MNPDIMCHGLHJCM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001731542242 1182442244 /nfs/dbraw/zinc/44/22/44/1182442244.db2.gz MNPDIMCHGLHJCM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001731542242 1182442250 /nfs/dbraw/zinc/44/22/50/1182442250.db2.gz MNPDIMCHGLHJCM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001731696216 1182522440 /nfs/dbraw/zinc/52/24/40/1182522440.db2.gz DBBOCSKZFYQKLL-HUUCEWRRSA-N 2 1 288.395 1.232 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001731867948 1182638784 /nfs/dbraw/zinc/63/87/84/1182638784.db2.gz BXOBPOFAEQLYOM-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731867948 1182638790 /nfs/dbraw/zinc/63/87/90/1182638790.db2.gz BXOBPOFAEQLYOM-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001731867948 1182638794 /nfs/dbraw/zinc/63/87/94/1182638794.db2.gz BXOBPOFAEQLYOM-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001731917277 1182678572 /nfs/dbraw/zinc/67/85/72/1182678572.db2.gz KNOMRVBUJKNIKK-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732183834 1182837937 /nfs/dbraw/zinc/83/79/37/1182837937.db2.gz ALWCJNHSZFVNCB-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732183834 1182837944 /nfs/dbraw/zinc/83/79/44/1182837944.db2.gz ALWCJNHSZFVNCB-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732183834 1182837951 /nfs/dbraw/zinc/83/79/51/1182837951.db2.gz ALWCJNHSZFVNCB-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732455025 1182974868 /nfs/dbraw/zinc/97/48/68/1182974868.db2.gz RIWLGRYNWJKASM-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001732467345 1182980263 /nfs/dbraw/zinc/98/02/63/1182980263.db2.gz UYNCDVXWOLUWID-HNNXBMFYSA-N 2 1 290.411 1.335 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1cc[nH+]c1C ZINC001732545826 1183002890 /nfs/dbraw/zinc/00/28/90/1183002890.db2.gz IEURNYGWGOHOKK-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001732592143 1183035412 /nfs/dbraw/zinc/03/54/12/1183035412.db2.gz YYORMBAVMSZQJE-UHFFFAOYSA-N 2 1 255.406 1.295 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001733353595 1183408204 /nfs/dbraw/zinc/40/82/04/1183408204.db2.gz KGCFGNLUYAKAET-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733410790 1183424234 /nfs/dbraw/zinc/42/42/34/1183424234.db2.gz FZBUABBMKYINDD-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733410790 1183424239 /nfs/dbraw/zinc/42/42/39/1183424239.db2.gz FZBUABBMKYINDD-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001734000768 1183610120 /nfs/dbraw/zinc/61/01/20/1183610120.db2.gz GCQBRNHGHFMJLL-STQMWFEESA-N 2 1 278.400 1.641 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001734041051 1183631319 /nfs/dbraw/zinc/63/13/19/1183631319.db2.gz SLRHQIKKLWHXJH-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001734041051 1183631320 /nfs/dbraw/zinc/63/13/20/1183631320.db2.gz SLRHQIKKLWHXJH-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001734041051 1183631322 /nfs/dbraw/zinc/63/13/22/1183631322.db2.gz SLRHQIKKLWHXJH-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001734045384 1183633254 /nfs/dbraw/zinc/63/32/54/1183633254.db2.gz SKVVYEJVOOXTRF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001734045384 1183633256 /nfs/dbraw/zinc/63/32/56/1183633256.db2.gz SKVVYEJVOOXTRF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001734045384 1183633258 /nfs/dbraw/zinc/63/32/58/1183633258.db2.gz SKVVYEJVOOXTRF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001734503645 1183801818 /nfs/dbraw/zinc/80/18/18/1183801818.db2.gz FPEYOEYLZPLLRA-CQSZACIVSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001734551075 1183822106 /nfs/dbraw/zinc/82/21/06/1183822106.db2.gz AHVVPGZAGYBZJB-HOTGVXAUSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001734551075 1183822109 /nfs/dbraw/zinc/82/21/09/1183822109.db2.gz AHVVPGZAGYBZJB-HOTGVXAUSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001734551075 1183822110 /nfs/dbraw/zinc/82/21/10/1183822110.db2.gz AHVVPGZAGYBZJB-HOTGVXAUSA-N 2 1 293.455 1.519 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001734631342 1183853083 /nfs/dbraw/zinc/85/30/83/1183853083.db2.gz MICWMQORPFXMNW-UHFFFAOYSA-N 2 1 265.401 1.263 10 30 CDEEMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001671089954 1164415124 /nfs/dbraw/zinc/41/51/24/1164415124.db2.gz DYWQDEZPYDCXJY-KRWDZBQOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001671089954 1164415126 /nfs/dbraw/zinc/41/51/26/1164415126.db2.gz DYWQDEZPYDCXJY-KRWDZBQOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001671089954 1164415128 /nfs/dbraw/zinc/41/51/28/1164415128.db2.gz DYWQDEZPYDCXJY-KRWDZBQOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001320922645 959459893 /nfs/dbraw/zinc/45/98/93/959459893.db2.gz VKVJZAUDUPUSOF-GFCCVEGCSA-N 2 1 273.808 1.129 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001566049920 1168221399 /nfs/dbraw/zinc/22/13/99/1168221399.db2.gz VNFREWKAQNIAAC-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001566757227 1168408948 /nfs/dbraw/zinc/40/89/48/1168408948.db2.gz GAPQHUYXVKPRIH-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001566844860 1168442371 /nfs/dbraw/zinc/44/23/71/1168442371.db2.gz WUAYIOUKPGBKKV-XUWVNRHRSA-N 2 1 291.439 1.816 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001567096770 1168561019 /nfs/dbraw/zinc/56/10/19/1168561019.db2.gz QWTIEMDFPQTIHS-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266640497 895663341 /nfs/dbraw/zinc/66/33/41/895663341.db2.gz WJMDKVAWPAWRHJ-JYJNAYRXSA-N 2 1 287.407 1.712 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001266821045 896120023 /nfs/dbraw/zinc/12/00/23/896120023.db2.gz WRTQDMDNAFZVOE-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001266872945 896255161 /nfs/dbraw/zinc/25/51/61/896255161.db2.gz QQWRSTUBLHKJRD-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001266948475 896413009 /nfs/dbraw/zinc/41/30/09/896413009.db2.gz JBEOVKXQUHMTEU-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267155310 896943836 /nfs/dbraw/zinc/94/38/36/896943836.db2.gz QHDPLJOFKWJZMT-HOCLYGCPSA-N 2 1 287.407 1.407 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001481044711 898679465 /nfs/dbraw/zinc/67/94/65/898679465.db2.gz SDGHYEHLWDFJHE-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001481044711 898679479 /nfs/dbraw/zinc/67/94/79/898679479.db2.gz SDGHYEHLWDFJHE-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001481044711 898679484 /nfs/dbraw/zinc/67/94/84/898679484.db2.gz SDGHYEHLWDFJHE-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001267603450 898755031 /nfs/dbraw/zinc/75/50/31/898755031.db2.gz RVACOXCPJNJFCM-MRXNPFEDSA-N 2 1 295.471 1.929 10 30 CDEEMP C#CCC[N@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001481153819 898987008 /nfs/dbraw/zinc/98/70/08/898987008.db2.gz NCHQMAKBIWBWEW-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001481153819 898987014 /nfs/dbraw/zinc/98/70/14/898987014.db2.gz NCHQMAKBIWBWEW-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CC1 ZINC001481178505 899060027 /nfs/dbraw/zinc/06/00/27/899060027.db2.gz XIPUTUUGHACVOZ-INIZCTEOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001481178505 899060043 /nfs/dbraw/zinc/06/00/43/899060043.db2.gz XIPUTUUGHACVOZ-INIZCTEOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001481178505 899060061 /nfs/dbraw/zinc/06/00/61/899060061.db2.gz XIPUTUUGHACVOZ-INIZCTEOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001481178505 899060083 /nfs/dbraw/zinc/06/00/83/899060083.db2.gz XIPUTUUGHACVOZ-INIZCTEOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001267653784 899176650 /nfs/dbraw/zinc/17/66/50/899176650.db2.gz YSPRPOBKVLUHCP-HUUCEWRRSA-N 2 1 297.418 1.080 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001267775926 899694249 /nfs/dbraw/zinc/69/42/49/899694249.db2.gz AGPOGBBTYXVQMX-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001267775926 899694255 /nfs/dbraw/zinc/69/42/55/899694255.db2.gz AGPOGBBTYXVQMX-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001267775926 899694264 /nfs/dbraw/zinc/69/42/64/899694264.db2.gz AGPOGBBTYXVQMX-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001267775927 899694999 /nfs/dbraw/zinc/69/49/99/899694999.db2.gz AGPOGBBTYXVQMX-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001267775927 899695001 /nfs/dbraw/zinc/69/50/01/899695001.db2.gz AGPOGBBTYXVQMX-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001267775927 899695007 /nfs/dbraw/zinc/69/50/07/899695007.db2.gz AGPOGBBTYXVQMX-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001481353524 900480595 /nfs/dbraw/zinc/48/05/95/900480595.db2.gz KIORSAZBNNNYNO-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001481353524 900480599 /nfs/dbraw/zinc/48/05/99/900480599.db2.gz KIORSAZBNNNYNO-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001481353524 900480605 /nfs/dbraw/zinc/48/06/05/900480605.db2.gz KIORSAZBNNNYNO-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481407425 900574080 /nfs/dbraw/zinc/57/40/80/900574080.db2.gz DAIVYINDIVCMJZ-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001481410874 900581309 /nfs/dbraw/zinc/58/13/09/900581309.db2.gz PHIHMVNJUAUUHI-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CCC)C1 ZINC001481410874 900581319 /nfs/dbraw/zinc/58/13/19/900581319.db2.gz PHIHMVNJUAUUHI-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CCC)C1 ZINC001481410874 900581324 /nfs/dbraw/zinc/58/13/24/900581324.db2.gz PHIHMVNJUAUUHI-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001481936293 902369683 /nfs/dbraw/zinc/36/96/83/902369683.db2.gz BDSZQSKHVKWTBJ-RDJZCZTQSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001482003029 902460232 /nfs/dbraw/zinc/46/02/32/902460232.db2.gz GBSFSBIUFUTWQN-MRXNPFEDSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001268625665 902839163 /nfs/dbraw/zinc/83/91/63/902839163.db2.gz IUTHTWPTJMFDCQ-KXLSMFKISA-N 2 1 279.428 1.555 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](F)C[NH+](CC)CC ZINC001268732384 903049140 /nfs/dbraw/zinc/04/91/40/903049140.db2.gz JCINQBSQHWXKHR-KGLIPLIRSA-N 2 1 285.407 1.126 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@@H+]1C ZINC001268959678 903276778 /nfs/dbraw/zinc/27/67/78/903276778.db2.gz DPXVTQCPCGXMSX-SOUVJXGZSA-N 2 1 277.412 1.332 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001268959678 903276788 /nfs/dbraw/zinc/27/67/88/903276788.db2.gz DPXVTQCPCGXMSX-SOUVJXGZSA-N 2 1 277.412 1.332 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001268959678 903276802 /nfs/dbraw/zinc/27/68/02/903276802.db2.gz DPXVTQCPCGXMSX-SOUVJXGZSA-N 2 1 277.412 1.332 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297453 903668519 /nfs/dbraw/zinc/66/85/19/903668519.db2.gz YRPJOUFFGGPWLY-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297453 903668529 /nfs/dbraw/zinc/66/85/29/903668529.db2.gz YRPJOUFFGGPWLY-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269310846 903683917 /nfs/dbraw/zinc/68/39/17/903683917.db2.gz NWKVNZMVIMDTEH-HNNXBMFYSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001269427904 903799641 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CC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001502341816 974722819 /nfs/dbraw/zinc/72/28/19/974722819.db2.gz FFGXCHPPYOSMOE-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001502968537 974805834 /nfs/dbraw/zinc/80/58/34/974805834.db2.gz MMZFKSLDMOQNOI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507398296 975451884 /nfs/dbraw/zinc/45/18/84/975451884.db2.gz ISOVOJGKZPEEPE-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407027545 976517479 /nfs/dbraw/zinc/51/74/79/976517479.db2.gz KEAQMHJOQXXLNO-OAHLLOKOSA-N 2 1 299.846 1.615 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407027545 976517483 /nfs/dbraw/zinc/51/74/83/976517483.db2.gz KEAQMHJOQXXLNO-OAHLLOKOSA-N 2 1 299.846 1.615 10 30 CDEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001675677384 1174136721 /nfs/dbraw/zinc/13/67/21/1174136721.db2.gz DMXJHOHLOSPGLV-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001675904681 1174162778 /nfs/dbraw/zinc/16/27/78/1174162778.db2.gz XPIGMNVWPCALBD-MGPQQGTHSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001677205452 1174334859 /nfs/dbraw/zinc/33/48/59/1174334859.db2.gz UQQUQCGSTURLMT-UHFFFAOYSA-N 2 1 290.411 1.384 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001677205452 1174334867 /nfs/dbraw/zinc/33/48/67/1174334867.db2.gz UQQUQCGSTURLMT-UHFFFAOYSA-N 2 1 290.411 1.384 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC1 ZINC001570115132 1170085165 /nfs/dbraw/zinc/08/51/65/1170085165.db2.gz GIAQYDKONKZRTN-KBPBESRZSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001656650478 1171857370 /nfs/dbraw/zinc/85/73/70/1171857370.db2.gz GEMBHVXFASQJAJ-KBMXLJTQSA-N 2 1 291.439 1.177 10 30 CDEEMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439636 342906782 /nfs/dbraw/zinc/90/67/82/342906782.db2.gz TUWJICFFSSRSDZ-UONOGXRCSA-N 2 1 280.416 1.198 10 30 CDEEMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CC[N@H+]1C ZINC000600723792 342245053 /nfs/dbraw/zinc/24/50/53/342245053.db2.gz LZLYLDCRIPYMGM-UPJWGTAASA-N 2 1 251.374 1.113 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777824 412497497 /nfs/dbraw/zinc/49/74/97/412497497.db2.gz ZEZQGQRPUNPDLJ-UAGQMJEPSA-N 2 1 294.439 1.811 10 30 CDEEMP N#CCCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595865687 343175815 /nfs/dbraw/zinc/17/58/15/343175815.db2.gz IYTACDHHEOHMRR-AWEZNQCLSA-N 2 1 251.374 1.211 10 30 CDEEMP N#CCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595865687 343175817 /nfs/dbraw/zinc/17/58/17/343175817.db2.gz IYTACDHHEOHMRR-AWEZNQCLSA-N 2 1 251.374 1.211 10 30 CDEEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C#N)c(OC)c1 ZINC000600775431 349880285 /nfs/dbraw/zinc/88/02/85/349880285.db2.gz NWCAZIQOIHNFTP-UHFFFAOYSA-N 2 1 277.368 1.235 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001660321350 1172194776 /nfs/dbraw/zinc/19/47/76/1172194776.db2.gz GVUIOZRLHBLMOF-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123569441 375845749 /nfs/dbraw/zinc/84/57/49/375845749.db2.gz CGHAONRUJDYJSN-CABCVRRESA-N 2 1 279.428 1.602 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)CC1 ZINC000195045935 375979887 /nfs/dbraw/zinc/97/98/87/375979887.db2.gz KISXXORKOZCTDG-INIZCTEOSA-N 2 1 289.423 1.028 10 30 CDEEMP C[N@H+](Cc1ccc(C#N)cc1)CC1CC[NH+](CCO)CC1 ZINC000069741537 378690629 /nfs/dbraw/zinc/69/06/29/378690629.db2.gz CURNMOWUSFPCLW-UHFFFAOYSA-N 2 1 287.407 1.694 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001662871988 1172605897 /nfs/dbraw/zinc/60/58/97/1172605897.db2.gz CEHKWAUPVLKKAF-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001663396210 1172686124 /nfs/dbraw/zinc/68/61/24/1172686124.db2.gz HHJKEUYCHJLIQM-UHFFFAOYSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001663522983 1172715645 /nfs/dbraw/zinc/71/56/45/1172715645.db2.gz FXTBAIUBPUAQHL-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001663768427 1172759118 /nfs/dbraw/zinc/75/91/18/1172759118.db2.gz DSWKFKHQTIXSGT-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001663768427 1172759123 /nfs/dbraw/zinc/75/91/23/1172759123.db2.gz DSWKFKHQTIXSGT-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001663768427 1172759134 /nfs/dbraw/zinc/75/91/34/1172759134.db2.gz DSWKFKHQTIXSGT-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP Cn1cc(C[N@H+](C)Cc2ccc(C#CC[NH3+])s2)cn1 ZINC000043683970 175092300 /nfs/dbraw/zinc/09/23/00/175092300.db2.gz VYLUSZQCQHASIQ-UHFFFAOYSA-N 2 1 274.393 1.424 10 30 CDEEMP Cn1cc(C[N@@H+](C)Cc2ccc(C#CC[NH3+])s2)cn1 ZINC000043683970 175092302 /nfs/dbraw/zinc/09/23/02/175092302.db2.gz VYLUSZQCQHASIQ-UHFFFAOYSA-N 2 1 274.393 1.424 10 30 CDEEMP NC(=O)C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C1CCCC1 ZINC000043689083 175095490 /nfs/dbraw/zinc/09/54/90/175095490.db2.gz KWVFVXWIEUZOKH-UHFFFAOYSA-N 2 1 291.420 1.288 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000043689011 175095860 /nfs/dbraw/zinc/09/58/60/175095860.db2.gz WHFIHVJLGBIJDA-GFCCVEGCSA-N 2 1 250.367 1.015 10 30 CDEEMP CCN[C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190781 176068183 /nfs/dbraw/zinc/06/81/83/176068183.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 2 1 280.460 1.932 10 30 CDEEMP CCN[C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190781 176068184 /nfs/dbraw/zinc/06/81/84/176068184.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 2 1 280.460 1.932 10 30 CDEEMP CCN[C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190781 176068186 /nfs/dbraw/zinc/06/81/86/176068186.db2.gz URKCNYGKRIEZAJ-JKSUJKDBSA-N 2 1 280.460 1.932 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001667751633 1173320034 /nfs/dbraw/zinc/32/00/34/1173320034.db2.gz LXCWUWRUKIGRQL-CABCVRRESA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668326706 1173397393 /nfs/dbraw/zinc/39/73/93/1173397393.db2.gz UQNWBRIFLCBWTH-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001672442843 1173773846 /nfs/dbraw/zinc/77/38/46/1173773846.db2.gz PKKQLNFDCBCBJS-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001672442843 1173773850 /nfs/dbraw/zinc/77/38/50/1173773850.db2.gz PKKQLNFDCBCBJS-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 ZINC000262469381 330015336 /nfs/dbraw/zinc/01/53/36/330015336.db2.gz RZMOALSFKKCICD-RWMBFGLXSA-N 2 1 250.390 1.174 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691860114 1175638570 /nfs/dbraw/zinc/63/85/70/1175638570.db2.gz CWKUGZZDPKBKDN-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001725196465 1159231868 /nfs/dbraw/zinc/23/18/68/1159231868.db2.gz QVPVMXACEICDSL-AWEZNQCLSA-N 2 1 269.433 1.729 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001725196465 1159231871 /nfs/dbraw/zinc/23/18/71/1159231871.db2.gz QVPVMXACEICDSL-AWEZNQCLSA-N 2 1 269.433 1.729 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001725196465 1159231872 /nfs/dbraw/zinc/23/18/72/1159231872.db2.gz QVPVMXACEICDSL-AWEZNQCLSA-N 2 1 269.433 1.729 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691476289 1159334430 /nfs/dbraw/zinc/33/44/30/1159334430.db2.gz GIJAWIYQFLZYFO-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001670808086 1160171200 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C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001267563762 1159464036 /nfs/dbraw/zinc/46/40/36/1159464036.db2.gz FMGRGTUXFCPAML-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001566757227 1168408938 /nfs/dbraw/zinc/40/89/38/1168408938.db2.gz GAPQHUYXVKPRIH-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001566757227 1168408943 /nfs/dbraw/zinc/40/89/43/1168408943.db2.gz GAPQHUYXVKPRIH-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001569270179 1169742163 /nfs/dbraw/zinc/74/21/63/1169742163.db2.gz LQTKUNZIRDFIBK-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001571392047 1170407351 /nfs/dbraw/zinc/40/73/51/1170407351.db2.gz ODURDPSCTBYOKI-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001656346236 1171811194 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911103401 /nfs/dbraw/zinc/10/34/01/911103401.db2.gz LKCRHKORTIESDQ-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001568131734 1169143441 /nfs/dbraw/zinc/14/34/41/1169143441.db2.gz SHPSFVIJWLZBRO-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001483811547 915093492 /nfs/dbraw/zinc/09/34/92/915093492.db2.gz QWYPOGHLWGKGEZ-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001484062413 915379366 /nfs/dbraw/zinc/37/93/66/915379366.db2.gz BSNSZVHXTWDACH-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001484378289 915692257 /nfs/dbraw/zinc/69/22/57/915692257.db2.gz WOUUXKQXOFTEKJ-CABCVRRESA-N 2 1 295.471 1.834 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663105 916011710 /nfs/dbraw/zinc/01/17/10/916011710.db2.gz HRRPUGLWUFVXLC-OKILXGFUSA-N 2 1 277.412 1.121 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001485068672 916454443 /nfs/dbraw/zinc/45/44/43/916454443.db2.gz GTHHXLWHCIISLC-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485387105 916936920 /nfs/dbraw/zinc/93/69/20/916936920.db2.gz DAQSDWMKTALCPT-ZBFHGGJFSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485387105 916936929 /nfs/dbraw/zinc/93/69/29/916936929.db2.gz DAQSDWMKTALCPT-ZBFHGGJFSA-N 2 1 289.423 1.912 10 30 CDEEMP C#CC[N@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485571328 917090840 /nfs/dbraw/zinc/09/08/40/917090840.db2.gz JLAPNFJZWYCCMR-KGLIPLIRSA-N 2 1 297.418 1.126 10 30 CDEEMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485571328 917090845 /nfs/dbraw/zinc/09/08/45/917090845.db2.gz JLAPNFJZWYCCMR-KGLIPLIRSA-N 2 1 297.418 1.126 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001485961924 920633085 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293.455 1.567 10 30 CDEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[N@H+]1CC)C(C)C ZINC001136650092 931227708 /nfs/dbraw/zinc/22/77/08/931227708.db2.gz PJAWHCFYZIAOMC-HZPDHXFCSA-N 2 1 293.455 1.895 10 30 CDEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@H]1CC[N@@H+]1CC)C(C)C ZINC001136650092 931227715 /nfs/dbraw/zinc/22/77/15/931227715.db2.gz PJAWHCFYZIAOMC-HZPDHXFCSA-N 2 1 293.455 1.895 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001568551716 1169363586 /nfs/dbraw/zinc/36/35/86/1169363586.db2.gz PWZWTSHDLOBRQL-AWEZNQCLSA-N 2 1 269.433 1.539 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001276013425 932236412 /nfs/dbraw/zinc/23/64/12/932236412.db2.gz XUPLBRDHCGXHBO-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC001120497090 937803740 /nfs/dbraw/zinc/80/37/40/937803740.db2.gz RGYBWVQYCYPBSO-OAHLLOKOSA-N 2 1 275.396 1.118 10 30 CDEEMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001329522496 940204234 /nfs/dbraw/zinc/20/42/34/940204234.db2.gz HTTCYBWFJGSONL-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329522496 940204236 /nfs/dbraw/zinc/20/42/36/940204236.db2.gz HTTCYBWFJGSONL-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329522496 940204240 /nfs/dbraw/zinc/20/42/40/940204240.db2.gz HTTCYBWFJGSONL-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001276588564 940392180 /nfs/dbraw/zinc/39/21/80/940392180.db2.gz JJUGTRKHKGSXEC-HOTGVXAUSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276867777 941661071 /nfs/dbraw/zinc/66/10/71/941661071.db2.gz UFNYMDYIYVKUGY-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001276970058 941750916 /nfs/dbraw/zinc/75/09/16/941750916.db2.gz LQZKOIHUPIUDFS-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001276970058 941750918 /nfs/dbraw/zinc/75/09/18/941750918.db2.gz LQZKOIHUPIUDFS-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001276970058 941750919 /nfs/dbraw/zinc/75/09/19/941750919.db2.gz LQZKOIHUPIUDFS-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001282390795 942704800 /nfs/dbraw/zinc/70/48/00/942704800.db2.gz IQGLLGNXKDTISW-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001282390795 942704808 /nfs/dbraw/zinc/70/48/08/942704808.db2.gz IQGLLGNXKDTISW-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001282390795 942704812 /nfs/dbraw/zinc/70/48/12/942704812.db2.gz IQGLLGNXKDTISW-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001282425917 942711375 /nfs/dbraw/zinc/71/13/75/942711375.db2.gz SHHKXCQBLHOFLM-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001282425917 942711383 /nfs/dbraw/zinc/71/13/83/942711383.db2.gz SHHKXCQBLHOFLM-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001282425917 942711370 /nfs/dbraw/zinc/71/13/70/942711370.db2.gz SHHKXCQBLHOFLM-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001282652899 942735516 /nfs/dbraw/zinc/73/55/16/942735516.db2.gz CIDKUDCVCDCUAA-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316623487 942807319 /nfs/dbraw/zinc/80/73/19/942807319.db2.gz HIOKBIZJTNBYKR-SOUVJXGZSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001283061783 942814856 /nfs/dbraw/zinc/81/48/56/942814856.db2.gz FXTZUPSBBLCQOK-BZUAXINKSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001283681630 942967260 /nfs/dbraw/zinc/96/72/60/942967260.db2.gz YCSNTLJESQQVHS-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C=CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001284958494 943301734 /nfs/dbraw/zinc/30/17/34/943301734.db2.gz XRJIPSFYUDRHNZ-AWEZNQCLSA-N 2 1 277.412 1.263 10 30 CDEEMP C=CC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001284958494 943301748 /nfs/dbraw/zinc/30/17/48/943301748.db2.gz XRJIPSFYUDRHNZ-AWEZNQCLSA-N 2 1 277.412 1.263 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001284958494 943301752 /nfs/dbraw/zinc/30/17/52/943301752.db2.gz XRJIPSFYUDRHNZ-AWEZNQCLSA-N 2 1 277.412 1.263 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001277843616 943791345 /nfs/dbraw/zinc/79/13/45/943791345.db2.gz FRLAZZBCIGMRAY-CQSZACIVSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001264376955 944120265 /nfs/dbraw/zinc/12/02/65/944120265.db2.gz RHBHMULJVYLHHJ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001264376955 944120270 /nfs/dbraw/zinc/12/02/70/944120270.db2.gz RHBHMULJVYLHHJ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001264376955 944120274 /nfs/dbraw/zinc/12/02/74/944120274.db2.gz RHBHMULJVYLHHJ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1CC ZINC001264610127 944154226 /nfs/dbraw/zinc/15/42/26/944154226.db2.gz SKNXKOUQHHTAOE-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1CC ZINC001264610127 944154228 /nfs/dbraw/zinc/15/42/28/944154228.db2.gz SKNXKOUQHHTAOE-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1CC ZINC001264610127 944154230 /nfs/dbraw/zinc/15/42/30/944154230.db2.gz SKNXKOUQHHTAOE-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP 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CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218424 613027564 /nfs/dbraw/zinc/02/75/64/613027564.db2.gz XMMOHERNOUZBQS-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218424 613027565 /nfs/dbraw/zinc/02/75/65/613027565.db2.gz XMMOHERNOUZBQS-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217299 613335657 /nfs/dbraw/zinc/33/56/57/613335657.db2.gz MGBSUOMEOYNDIL-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217299 613335658 /nfs/dbraw/zinc/33/56/58/613335658.db2.gz MGBSUOMEOYNDIL-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217299 613335659 /nfs/dbraw/zinc/33/56/59/613335659.db2.gz MGBSUOMEOYNDIL-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C 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1.568 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700477333 1176964868 /nfs/dbraw/zinc/96/48/68/1176964868.db2.gz QNUZWOQGTIRMQL-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700477330 1176965742 /nfs/dbraw/zinc/96/57/42/1176965742.db2.gz QNUZWOQGTIRMQL-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001701006872 1177235282 /nfs/dbraw/zinc/23/52/82/1177235282.db2.gz CEZDLXSDONOFSH-CQSZACIVSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001701062559 1177262214 /nfs/dbraw/zinc/26/22/14/1177262214.db2.gz FWCFIGQGGUZVMZ-GJZGRUSLSA-N 2 1 291.439 1.794 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707417042 1178033336 /nfs/dbraw/zinc/03/33/36/1178033336.db2.gz DGONNJIUTVAZQO-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC=C)C1 ZINC001713344046 1178511093 /nfs/dbraw/zinc/51/10/93/1178511093.db2.gz HDJHYKWVQILPSK-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC=C)C1 ZINC001713344046 1178511097 /nfs/dbraw/zinc/51/10/97/1178511097.db2.gz HDJHYKWVQILPSK-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001713397095 1178534588 /nfs/dbraw/zinc/53/45/88/1178534588.db2.gz JSZPTIQCWFWMLG-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001713644113 1178693848 /nfs/dbraw/zinc/69/38/48/1178693848.db2.gz WPNFUIDZKPCILW-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001713785718 1178751479 /nfs/dbraw/zinc/75/14/79/1178751479.db2.gz MUSVOBXYFGUJAO-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714474334 1179160570 /nfs/dbraw/zinc/16/05/70/1179160570.db2.gz JCQYMHLEPXFOEL-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714648825 1179295492 /nfs/dbraw/zinc/29/54/92/1179295492.db2.gz ORYKWNRNVQRRED-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001714673809 1179314812 /nfs/dbraw/zinc/31/48/12/1179314812.db2.gz DNEBGFHZFRAOTP-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001714731201 1179363766 /nfs/dbraw/zinc/36/37/66/1179363766.db2.gz SDHKYPQLFUKKOU-GXTWGEPZSA-N 2 1 290.411 1.376 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001715588584 1179727907 /nfs/dbraw/zinc/72/79/07/1179727907.db2.gz QCHFSXLUMPINBM-GJZGRUSLSA-N 2 1 279.428 1.223 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)C(C)C ZINC001715588584 1179727912 /nfs/dbraw/zinc/72/79/12/1179727912.db2.gz QCHFSXLUMPINBM-GJZGRUSLSA-N 2 1 279.428 1.223 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716042558 1180016654 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1.875 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@@H](C)n1ccnc1 ZINC001717375349 1180635910 /nfs/dbraw/zinc/63/59/10/1180635910.db2.gz XAMXONZSTIHGCB-CABCVRRESA-N 2 1 290.411 1.943 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479922 1180697369 /nfs/dbraw/zinc/69/73/69/1180697369.db2.gz VEIBCVNWVIRMPZ-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001723302178 1181535369 /nfs/dbraw/zinc/53/53/69/1181535369.db2.gz RMUYUTWRMQIEKG-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724962051 1181809460 /nfs/dbraw/zinc/80/94/60/1181809460.db2.gz QVKCEMXNEYBEKZ-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001725148159 1181881971 /nfs/dbraw/zinc/88/19/71/1181881971.db2.gz QCKAYSRIHQDFHC-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001725759579 1182124851 /nfs/dbraw/zinc/12/48/51/1182124851.db2.gz WALGGNAQPMOGQK-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC ZINC001732425315 1182959480 /nfs/dbraw/zinc/95/94/80/1182959480.db2.gz QGEPBWZSPCKQDZ-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC ZINC001732425315 1182959484 /nfs/dbraw/zinc/95/94/84/1182959484.db2.gz QGEPBWZSPCKQDZ-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001732562890 1183011901 /nfs/dbraw/zinc/01/19/01/1183011901.db2.gz HFQVFDKGEZXDIG-ARFHVFGLSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732582512 1183027622 /nfs/dbraw/zinc/02/76/22/1183027622.db2.gz PLCMHGOPRZRXIO-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001732582512 1183027630 /nfs/dbraw/zinc/02/76/30/1183027630.db2.gz PLCMHGOPRZRXIO-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001732582512 1183027636 /nfs/dbraw/zinc/02/76/36/1183027636.db2.gz PLCMHGOPRZRXIO-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(=C)C ZINC001732858907 1183161225 /nfs/dbraw/zinc/16/12/25/1183161225.db2.gz GMSSRDLTZHXHPA-JFDDCEBESA-N 2 1 289.423 1.312 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC(=C)C ZINC001732858907 1183161230 /nfs/dbraw/zinc/16/12/30/1183161230.db2.gz GMSSRDLTZHXHPA-JFDDCEBESA-N 2 1 289.423 1.312 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001733028266 1183247150 /nfs/dbraw/zinc/24/71/50/1183247150.db2.gz VBTCOLAUWXCJJN-DZGCQCFKSA-N 2 1 273.380 1.017 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001733191313 1183324473 /nfs/dbraw/zinc/32/44/73/1183324473.db2.gz WAANNTBYXVDVFL-CQSZACIVSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001733225281 1183352234 /nfs/dbraw/zinc/35/22/34/1183352234.db2.gz KTVSDMQWPQCSDS-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001733225281 1183352238 /nfs/dbraw/zinc/35/22/38/1183352238.db2.gz KTVSDMQWPQCSDS-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733605963 1183477197 /nfs/dbraw/zinc/47/71/97/1183477197.db2.gz GICPVGBHEMGJSG-ZIAGYGMSSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733675409 1183494491 /nfs/dbraw/zinc/49/44/91/1183494491.db2.gz BEANLEBGAYNVAC-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001733759956 1183521988 /nfs/dbraw/zinc/52/19/88/1183521988.db2.gz IPGTXOWGJHXTOP-LSDHHAIUSA-N 2 1 299.434 1.823 10 30 CDEEMP C#CC[NH2+]CC1CC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001733960099 1183586265 /nfs/dbraw/zinc/58/62/65/1183586265.db2.gz LXCKAKVVFLXELP-PREGVCBESA-N 2 1 299.418 1.407 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001733976124 1183596240 /nfs/dbraw/zinc/59/62/40/1183596240.db2.gz BTJCPRJUAOHZLC-KGLIPLIRSA-N 2 1 293.455 1.755 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001734498978 1183800769 /nfs/dbraw/zinc/80/07/69/1183800769.db2.gz AGHHBVKGJTXLOL-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001734559573 1183826722 /nfs/dbraw/zinc/82/67/22/1183826722.db2.gz CMEBJEZEGFEUFT-MCIONIFRSA-N 2 1 279.428 1.080 10 30 CDEEMP C[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262014052 723712142 /nfs/dbraw/zinc/71/21/42/723712142.db2.gz XGDCIVDTCOFLHG-UMSGYPCISA-N 2 1 252.406 1.289 10 30 CDEEMP C#C[C@H]1CCCN(CC(O)C[N@H+]2CCC[C@H](C#C)C2)C1 ZINC000847020242 723734200 /nfs/dbraw/zinc/73/42/00/723734200.db2.gz AHENCBSIRYPKGL-HOTGVXAUSA-N 2 1 274.408 1.038 10 30 CDEEMP C#C[C@H]1CCC[NH+](CC(O)C[N@@H+]2CCC[C@H](C#C)C2)C1 ZINC000847020242 723734203 /nfs/dbraw/zinc/73/42/03/723734203.db2.gz AHENCBSIRYPKGL-HOTGVXAUSA-N 2 1 274.408 1.038 10 30 CDEEMP C#C[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](C#C)C2)C1 ZINC000847020242 723734205 /nfs/dbraw/zinc/73/42/05/723734205.db2.gz AHENCBSIRYPKGL-HOTGVXAUSA-N 2 1 274.408 1.038 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1C[C@@H]1C ZINC000083898985 724210475 /nfs/dbraw/zinc/21/04/75/724210475.db2.gz BQRWSLLJGYKALJ-SGMGOOAPSA-N 2 1 264.417 1.434 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877249308 724461745 /nfs/dbraw/zinc/46/17/45/724461745.db2.gz ITCLSNBMTJPUQP-SDDRHHMPSA-N 2 1 271.792 1.009 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C#CC(C)(C)C ZINC000855345656 723778472 /nfs/dbraw/zinc/77/84/72/723778472.db2.gz FAPNIPNSHWIDFB-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C#CC(C)(C)C ZINC000855345656 723778475 /nfs/dbraw/zinc/77/84/75/723778475.db2.gz FAPNIPNSHWIDFB-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C=CCCn1cc(C[N@H+](C)C2CCC([NH3+])CC2)nn1 ZINC000848599488 723788467 /nfs/dbraw/zinc/78/84/67/723788467.db2.gz KLQOKRFGDUMGOG-UHFFFAOYSA-N 2 1 263.389 1.556 10 30 CDEEMP C[N@@H+](CCc1cccc(C#N)c1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923417399 725997183 /nfs/dbraw/zinc/99/71/83/725997183.db2.gz UHCLRFPCFMCQEA-MRXNPFEDSA-N 2 1 285.391 1.411 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001565977924 1168207243 /nfs/dbraw/zinc/20/72/43/1168207243.db2.gz PATSRFWJXAJPMN-OAGGEKHMSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001566613606 1168355302 /nfs/dbraw/zinc/35/53/02/1168355302.db2.gz KECZNLIDYVELTF-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C/C=C\Cl)C1 ZINC001566793066 1168424701 /nfs/dbraw/zinc/42/47/01/1168424701.db2.gz IMVONDSAKALNKN-FDWHTEOGSA-N 2 1 295.814 1.073 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001567155123 1168600636 /nfs/dbraw/zinc/60/06/36/1168600636.db2.gz MEYBAJHJAXAUEM-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567201756 1168615814 /nfs/dbraw/zinc/61/58/14/1168615814.db2.gz HNOXPXCDVGVPMV-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567201756 1168615820 /nfs/dbraw/zinc/61/58/20/1168615820.db2.gz HNOXPXCDVGVPMV-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567201756 1168615823 /nfs/dbraw/zinc/61/58/23/1168615823.db2.gz HNOXPXCDVGVPMV-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001266483280 895033477 /nfs/dbraw/zinc/03/34/77/895033477.db2.gz SFEUKMBJPJZZSL-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266560751 895362178 /nfs/dbraw/zinc/36/21/78/895362178.db2.gz VKGYXPCLAYDQFP-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266560751 895362193 /nfs/dbraw/zinc/36/21/93/895362193.db2.gz VKGYXPCLAYDQFP-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266560751 895362206 /nfs/dbraw/zinc/36/22/06/895362206.db2.gz VKGYXPCLAYDQFP-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001266683937 895822919 /nfs/dbraw/zinc/82/29/19/895822919.db2.gz YXJNXSIPIZUUTG-ZNMIVQPWSA-N 2 1 277.412 1.119 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001266872936 896253774 /nfs/dbraw/zinc/25/37/74/896253774.db2.gz QKUIDAYFXKAWLV-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001267513646 898194631 /nfs/dbraw/zinc/19/46/31/898194631.db2.gz ACXLVKBABUJEEF-UHFFFAOYSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001267513646 898194667 /nfs/dbraw/zinc/19/46/67/898194667.db2.gz 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C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC001545988645 966622869 /nfs/dbraw/zinc/62/28/69/966622869.db2.gz OWCLWMGEVDHJNI-HNNXBMFYSA-N 2 1 281.444 1.588 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001448503993 967132931 /nfs/dbraw/zinc/13/29/31/967132931.db2.gz UGURUXJXHCZFJN-IHRRRGAJSA-N 2 1 299.846 1.708 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001569504380 1169904360 /nfs/dbraw/zinc/90/43/60/1169904360.db2.gz KIOKKSDUPKVLEH-CQSZACIVSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569612294 1169936371 /nfs/dbraw/zinc/93/63/71/1169936371.db2.gz ADYPMLPOWRNCFI-HOCLYGCPSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1C(C)(C)C ZINC001467728273 970095407 /nfs/dbraw/zinc/09/54/07/970095407.db2.gz COGWPAOULZWOIV-AWEZNQCLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC001467728273 970095413 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1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001571523141 1170462536 /nfs/dbraw/zinc/46/25/36/1170462536.db2.gz ORTVQSWHYQTGNG-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001571523141 1170462538 /nfs/dbraw/zinc/46/25/38/1170462538.db2.gz ORTVQSWHYQTGNG-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001656749146 1171870236 /nfs/dbraw/zinc/87/02/36/1171870236.db2.gz NPKOADRGJNZEJA-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001656749146 1171870246 /nfs/dbraw/zinc/87/02/46/1171870246.db2.gz NPKOADRGJNZEJA-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001656749146 1171870257 /nfs/dbraw/zinc/87/02/57/1171870257.db2.gz NPKOADRGJNZEJA-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001657076470 1171923651 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C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(C#N)n1 ZINC000596359407 343310371 /nfs/dbraw/zinc/31/03/71/343310371.db2.gz CCNNBIMUWAGQEW-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)CC2(C#N)CC2)CCO1 ZINC000599477884 344069022 /nfs/dbraw/zinc/06/90/22/344069022.db2.gz KOCCNLHHQPBOHC-HUUCEWRRSA-N 2 1 295.427 1.084 10 30 CDEEMP C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506927 345678626 /nfs/dbraw/zinc/67/86/26/345678626.db2.gz CKOCINZPAWDMLV-HOCLYGCPSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C[C@@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506927 345678627 /nfs/dbraw/zinc/67/86/27/345678627.db2.gz CKOCINZPAWDMLV-HOCLYGCPSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CCC[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC001660484379 1172220769 /nfs/dbraw/zinc/22/07/69/1172220769.db2.gz OHAXWELDHQITPT-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CCC[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC001660484379 1172220763 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C=CC[C@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647525249 390672121 /nfs/dbraw/zinc/67/21/21/390672121.db2.gz IHOCODCAKFTGFF-CVEARBPZSA-N 2 1 278.396 1.006 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647525249 390672122 /nfs/dbraw/zinc/67/21/22/390672122.db2.gz IHOCODCAKFTGFF-CVEARBPZSA-N 2 1 278.396 1.006 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000662754153 413430650 /nfs/dbraw/zinc/43/06/50/413430650.db2.gz FQBPSMRDGABJIY-DUVNUKRYSA-N 2 1 277.412 1.284 10 30 CDEEMP CCN[C@@](C)(C#N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190748 176068436 /nfs/dbraw/zinc/06/84/36/176068436.db2.gz LUDJKCSKOPQZPL-ZIAGYGMSSA-N 2 1 252.406 1.152 10 30 CDEEMP CCN[C@@](C)(C#N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190748 176068438 /nfs/dbraw/zinc/06/84/38/176068438.db2.gz LUDJKCSKOPQZPL-ZIAGYGMSSA-N 2 1 252.406 1.152 10 30 CDEEMP CCN[C@@](C)(C#N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190748 176068439 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/nfs/dbraw/zinc/37/70/82/1174377082.db2.gz CRTCVYJAZYBMDY-UHFFFAOYSA-N 2 1 277.412 1.263 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000682435401 482664752 /nfs/dbraw/zinc/66/47/52/482664752.db2.gz QVGKDLUUCKNUFU-MRXNPFEDSA-N 2 1 262.397 1.987 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478432 482681258 /nfs/dbraw/zinc/68/12/58/482681258.db2.gz YHWITXORPWGOHY-BBWFWOEESA-N 2 1 295.471 1.414 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000677478432 482681263 /nfs/dbraw/zinc/68/12/63/482681263.db2.gz YHWITXORPWGOHY-BBWFWOEESA-N 2 1 295.471 1.414 10 30 CDEEMP CCCN[C@@](C)(C#N)C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616309 520030707 /nfs/dbraw/zinc/03/07/07/520030707.db2.gz KFGUGXPJNZHZEZ-ARFHVFGLSA-N 2 1 280.460 1.930 10 30 CDEEMP CCCN[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616309 520030716 /nfs/dbraw/zinc/03/07/16/520030716.db2.gz KFGUGXPJNZHZEZ-ARFHVFGLSA-N 2 1 280.460 1.930 10 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1.180 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220424 1178439680 /nfs/dbraw/zinc/43/96/80/1178439680.db2.gz KVUDCCLRXVTUEK-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220424 1178439684 /nfs/dbraw/zinc/43/96/84/1178439684.db2.gz KVUDCCLRXVTUEK-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713518014 1178620893 /nfs/dbraw/zinc/62/08/93/1178620893.db2.gz TYPMSFSEJWIEKP-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713518014 1178620897 /nfs/dbraw/zinc/62/08/97/1178620897.db2.gz TYPMSFSEJWIEKP-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713518014 1178620902 /nfs/dbraw/zinc/62/09/02/1178620902.db2.gz TYPMSFSEJWIEKP-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713529523 1178629175 /nfs/dbraw/zinc/62/91/75/1178629175.db2.gz MGOMJXZYFKGUFI-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713529523 1178629176 /nfs/dbraw/zinc/62/91/76/1178629176.db2.gz MGOMJXZYFKGUFI-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713529523 1178629180 /nfs/dbraw/zinc/62/91/80/1178629180.db2.gz MGOMJXZYFKGUFI-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001713541859 1178634558 /nfs/dbraw/zinc/63/45/58/1178634558.db2.gz OCMRPLOHSCPGDS-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001713541859 1178634562 /nfs/dbraw/zinc/63/45/62/1178634562.db2.gz OCMRPLOHSCPGDS-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001713541859 1178634565 /nfs/dbraw/zinc/63/45/65/1178634565.db2.gz OCMRPLOHSCPGDS-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541868 1178635101 /nfs/dbraw/zinc/63/51/01/1178635101.db2.gz OJVGFLCJBONDPC-CVEARBPZSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714039514 1178941983 /nfs/dbraw/zinc/94/19/83/1178941983.db2.gz FLIYTVXDPBASOI-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001714039514 1178941988 /nfs/dbraw/zinc/94/19/88/1178941988.db2.gz FLIYTVXDPBASOI-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714039514 1178941994 /nfs/dbraw/zinc/94/19/94/1178941994.db2.gz FLIYTVXDPBASOI-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714853915 1179421478 /nfs/dbraw/zinc/42/14/78/1179421478.db2.gz AXKZRRADLJRCTP-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714853915 1179421485 /nfs/dbraw/zinc/42/14/85/1179421485.db2.gz AXKZRRADLJRCTP-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001714853915 1179421489 /nfs/dbraw/zinc/42/14/89/1179421489.db2.gz AXKZRRADLJRCTP-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714853915 1179421491 /nfs/dbraw/zinc/42/14/91/1179421491.db2.gz AXKZRRADLJRCTP-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001715414107 1179661810 /nfs/dbraw/zinc/66/18/10/1179661810.db2.gz CKIFXEWLRHPUAV-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001715413131 1179661935 /nfs/dbraw/zinc/66/19/35/1179661935.db2.gz IGLMXZHPTWIRSE-ZFWWWQNUSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715820597 1179849274 /nfs/dbraw/zinc/84/92/74/1179849274.db2.gz YTSYRIUMRRFQHN-XHPSBEMXSA-N 2 1 277.412 1.145 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716449846 1180216592 /nfs/dbraw/zinc/21/65/92/1180216592.db2.gz BSNLVOKODMEJBV-KKUMJFAQSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716452558 1180218628 /nfs/dbraw/zinc/21/86/28/1180218628.db2.gz IIJFJDNJXWDWSG-LBPRGKRZSA-N 2 1 255.406 1.245 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001716751040 1180399356 /nfs/dbraw/zinc/39/93/56/1180399356.db2.gz VVIJUMUFXHLMLM-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001716786032 1180414866 /nfs/dbraw/zinc/41/48/66/1180414866.db2.gz AULWGGQMMDHMHD-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001717043170 1180510865 /nfs/dbraw/zinc/51/08/65/1180510865.db2.gz XWDNNJAOKLQWCS-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001717043170 1180510863 /nfs/dbraw/zinc/51/08/63/1180510863.db2.gz XWDNNJAOKLQWCS-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001717043170 1180510868 /nfs/dbraw/zinc/51/08/68/1180510868.db2.gz XWDNNJAOKLQWCS-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717109409 1180533072 /nfs/dbraw/zinc/53/30/72/1180533072.db2.gz CVDSORURQHTIPE-KGLIPLIRSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001717162183 1180555026 /nfs/dbraw/zinc/55/50/26/1180555026.db2.gz JRIUKQFBZRQPOH-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC=C(C)C ZINC001717475999 1180696198 /nfs/dbraw/zinc/69/61/98/1180696198.db2.gz HWFOLWWXGYZOKO-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC=C(C)C ZINC001717475999 1180696201 /nfs/dbraw/zinc/69/62/01/1180696201.db2.gz HWFOLWWXGYZOKO-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC=C(C)C ZINC001717475999 1180696204 /nfs/dbraw/zinc/69/62/04/1180696204.db2.gz HWFOLWWXGYZOKO-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC=C(C)C ZINC001717475999 1180696206 /nfs/dbraw/zinc/69/62/06/1180696206.db2.gz HWFOLWWXGYZOKO-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717497659 1180710766 /nfs/dbraw/zinc/71/07/66/1180710766.db2.gz HJGXSHFKXUUMSH-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001717497659 1180710769 /nfs/dbraw/zinc/71/07/69/1180710769.db2.gz HJGXSHFKXUUMSH-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001717497659 1180710772 /nfs/dbraw/zinc/71/07/72/1180710772.db2.gz HJGXSHFKXUUMSH-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001717753718 1180831172 /nfs/dbraw/zinc/83/11/72/1180831172.db2.gz GHFNQUDATSLWJG-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001718032706 1180976834 /nfs/dbraw/zinc/97/68/34/1180976834.db2.gz NGVVOMPNYKAQHY-UHFFFAOYSA-N 2 1 288.395 1.516 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001718032706 1180976839 /nfs/dbraw/zinc/97/68/39/1180976839.db2.gz NGVVOMPNYKAQHY-UHFFFAOYSA-N 2 1 288.395 1.516 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001723297721 1181533879 /nfs/dbraw/zinc/53/38/79/1181533879.db2.gz KUPKZQIXGAIMJI-CVEARBPZSA-N 2 1 291.439 1.367 10 30 CDEEMP CC#CC[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001724185421 1181650322 /nfs/dbraw/zinc/65/03/22/1181650322.db2.gz YDHMXFIOEUKNSU-INIZCTEOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724707506 1181730661 /nfs/dbraw/zinc/73/06/61/1181730661.db2.gz LDKFNFSQVOGWPT-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CCC1 ZINC001724799784 1181758484 /nfs/dbraw/zinc/75/84/84/1181758484.db2.gz HUWICPLLLAXMPO-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001724823962 1181765310 /nfs/dbraw/zinc/76/53/10/1181765310.db2.gz OSUICAAPECYFGH-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=C)C)C1 ZINC001725063092 1181839825 /nfs/dbraw/zinc/83/98/25/1181839825.db2.gz IJLIPJSAKPNCJD-GPANFISMSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=C)C)C1 ZINC001725063092 1181839830 /nfs/dbraw/zinc/83/98/30/1181839830.db2.gz IJLIPJSAKPNCJD-GPANFISMSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001725197706 1181920303 /nfs/dbraw/zinc/92/03/03/1181920303.db2.gz VDGQUAUUZPGWFW-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001725237422 1181932187 /nfs/dbraw/zinc/93/21/87/1181932187.db2.gz BULMADKWBGACBV-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001725238966 1181933655 /nfs/dbraw/zinc/93/36/55/1181933655.db2.gz ISCACLKDKPJNNJ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725390843 1181984914 /nfs/dbraw/zinc/98/49/14/1181984914.db2.gz XMUXRPQWRRZNJI-CVEARBPZSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001725427311 1181995184 /nfs/dbraw/zinc/99/51/84/1181995184.db2.gz MYXZIDNCIWPUSU-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001725427311 1181995188 /nfs/dbraw/zinc/99/51/88/1181995188.db2.gz MYXZIDNCIWPUSU-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001725427311 1181995193 /nfs/dbraw/zinc/99/51/93/1181995193.db2.gz MYXZIDNCIWPUSU-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001725649774 1182087294 /nfs/dbraw/zinc/08/72/94/1182087294.db2.gz BIIUFGHUXKJKGR-LSDHHAIUSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001731372337 1182342130 /nfs/dbraw/zinc/34/21/30/1182342130.db2.gz LGAGFUGNWOOTSZ-CHWSQXEVSA-N 2 1 271.380 1.043 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731543371 1182442928 /nfs/dbraw/zinc/44/29/28/1182442928.db2.gz KMKBEEWUNCQGSI-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001731694196 1182520425 /nfs/dbraw/zinc/52/04/25/1182520425.db2.gz WUVOIMFGUIMVGU-UONOGXRCSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731867719 1182637926 /nfs/dbraw/zinc/63/79/26/1182637926.db2.gz VSUHBSQUCPPPRL-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001731867719 1182637931 /nfs/dbraw/zinc/63/79/31/1182637931.db2.gz VSUHBSQUCPPPRL-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001731867719 1182637935 /nfs/dbraw/zinc/63/79/35/1182637935.db2.gz VSUHBSQUCPPPRL-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001732559505 1183009759 /nfs/dbraw/zinc/00/97/59/1183009759.db2.gz AEPRDQFEXVOYCH-JKSUJKDBSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001732592751 1183033609 /nfs/dbraw/zinc/03/36/09/1183033609.db2.gz OFZJJCUNYLWZHN-AWEZNQCLSA-N 2 1 267.417 1.130 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001733130356 1183301625 /nfs/dbraw/zinc/30/16/25/1183301625.db2.gz CHPOTMIIKWAJEA-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001733219700 1183347688 /nfs/dbraw/zinc/34/76/88/1183347688.db2.gz PQDLGMSNTQFNEQ-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001733219700 1183347696 /nfs/dbraw/zinc/34/76/96/1183347696.db2.gz PQDLGMSNTQFNEQ-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001733219700 1183347704 /nfs/dbraw/zinc/34/77/04/1183347704.db2.gz PQDLGMSNTQFNEQ-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001733225277 1183352521 /nfs/dbraw/zinc/35/25/21/1183352521.db2.gz KTVSDMQWPQCSDS-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001733225277 1183352529 /nfs/dbraw/zinc/35/25/29/1183352529.db2.gz KTVSDMQWPQCSDS-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733938117 1183574990 /nfs/dbraw/zinc/57/49/90/1183574990.db2.gz NUKHVKCDGFVVSF-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733938117 1183574994 /nfs/dbraw/zinc/57/49/94/1183574994.db2.gz NUKHVKCDGFVVSF-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733938117 1183574996 /nfs/dbraw/zinc/57/49/96/1183574996.db2.gz NUKHVKCDGFVVSF-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001734329992 1183735602 /nfs/dbraw/zinc/73/56/02/1183735602.db2.gz BLNNHGODGQDNHQ-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001734508544 1183803254 /nfs/dbraw/zinc/80/32/54/1183803254.db2.gz MSMOUQLHAJIYBC-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[C@H](COC)NCc1ncc(C[NH+](C)C)s1 ZINC000858334546 726091355 /nfs/dbraw/zinc/09/13/55/726091355.db2.gz BFAHJMTUCRDCQN-LLVKDONJSA-N 2 1 267.398 1.333 10 30 CDEEMP C[NH+]=C(NCc1ccco1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261949370 726011725 /nfs/dbraw/zinc/01/17/25/726011725.db2.gz GWOHDYFMUBRRGL-TZMCWYRMSA-N 2 1 278.400 1.673 10 30 CDEEMP N#CC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060193 726114078 /nfs/dbraw/zinc/11/40/78/726114078.db2.gz GUBIHJHBZYCBTG-CFVMTHIKSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000930060193 726114080 /nfs/dbraw/zinc/11/40/80/726114080.db2.gz GUBIHJHBZYCBTG-CFVMTHIKSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060193 726114084 /nfs/dbraw/zinc/11/40/84/726114084.db2.gz GUBIHJHBZYCBTG-CFVMTHIKSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000930060193 726114088 /nfs/dbraw/zinc/11/40/88/726114088.db2.gz GUBIHJHBZYCBTG-CFVMTHIKSA-N 2 1 263.385 1.210 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000876734042 726159720 /nfs/dbraw/zinc/15/97/20/726159720.db2.gz NXZIQSAQFPOIJK-NEPJUHHUSA-N 2 1 273.808 1.303 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000871786652 726177162 /nfs/dbraw/zinc/17/71/62/726177162.db2.gz FTQCDTKZBRBPAV-QMMMGPOBSA-N 2 1 256.737 1.940 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000876722853 726274597 /nfs/dbraw/zinc/27/45/97/726274597.db2.gz GSRLTDZLQVZTFR-NWDGAFQWSA-N 2 1 273.808 1.447 10 30 CDEEMP C[C@@H]1C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(C#N)cc2)CC1 ZINC000925786213 726876787 /nfs/dbraw/zinc/87/67/87/726876787.db2.gz SCVNVKGILKIBFS-CXAGYDPISA-N 2 1 284.407 1.725 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000933731528 726877937 /nfs/dbraw/zinc/87/79/37/726877937.db2.gz BLSXPCCYJXMZSD-CVEARBPZSA-N 2 1 291.439 1.970 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000933731528 726877938 /nfs/dbraw/zinc/87/79/38/726877938.db2.gz BLSXPCCYJXMZSD-CVEARBPZSA-N 2 1 291.439 1.970 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCCC3(C#N)CCOCC3)C[C@]2(C)C1 ZINC000933731528 726877939 /nfs/dbraw/zinc/87/79/39/726877939.db2.gz BLSXPCCYJXMZSD-CVEARBPZSA-N 2 1 291.439 1.970 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888066 727017558 /nfs/dbraw/zinc/01/75/58/727017558.db2.gz LDLVWLBCEZCYDS-STQMWFEESA-N 2 1 282.432 1.333 10 30 CDEEMP CCCCCCNC(=[NH2+])NC[C@H]1CCC[N@H+]1CCOC ZINC000303973413 727068250 /nfs/dbraw/zinc/06/82/50/727068250.db2.gz GUGVXQDQBLMBLY-CQSZACIVSA-N 2 1 284.448 1.582 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C1 ZINC000923550359 727139809 /nfs/dbraw/zinc/13/98/09/727139809.db2.gz CBWBIPUGXJTWSM-JYJNAYRXSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C1 ZINC000923550359 727139810 /nfs/dbraw/zinc/13/98/10/727139810.db2.gz CBWBIPUGXJTWSM-JYJNAYRXSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000923550359 727139811 /nfs/dbraw/zinc/13/98/11/727139811.db2.gz CBWBIPUGXJTWSM-JYJNAYRXSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC000923550359 727139812 /nfs/dbraw/zinc/13/98/12/727139812.db2.gz CBWBIPUGXJTWSM-JYJNAYRXSA-N 2 1 289.423 1.217 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876726923 727355356 /nfs/dbraw/zinc/35/53/56/727355356.db2.gz BSMSUURITGOWSS-JQWIXIFHSA-N 2 1 271.792 1.057 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)CCC[NH2+]1 ZINC000877248958 727370996 /nfs/dbraw/zinc/37/09/96/727370996.db2.gz GMAGLSMBVURMGP-SQWLQELKSA-N 2 1 277.412 1.237 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC1CCCCC1 ZINC000303991520 727412277 /nfs/dbraw/zinc/41/22/77/727412277.db2.gz ZOOZLKYESNXLFW-AWEZNQCLSA-N 2 1 282.432 1.334 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC001640019659 1166984479 /nfs/dbraw/zinc/98/44/79/1166984479.db2.gz DPMWQJSVUHUQLF-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C[NH+](C)CC#CCNC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC001565496851 1168148165 /nfs/dbraw/zinc/14/81/65/1168148165.db2.gz TYYOGLGOMQBZDJ-UHFFFAOYSA-N 2 1 294.443 1.115 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001565827818 1168176386 /nfs/dbraw/zinc/17/63/86/1168176386.db2.gz HHOWPPPNAALNMF-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001565827818 1168176389 /nfs/dbraw/zinc/17/63/89/1168176389.db2.gz HHOWPPPNAALNMF-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001566792899 1168424549 /nfs/dbraw/zinc/42/45/49/1168424549.db2.gz CGGISPCPBZDPLG-RBSFLKMASA-N 2 1 279.428 1.674 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001567431862 1168756200 /nfs/dbraw/zinc/75/62/00/1168756200.db2.gz UULSPGSGSPHBNG-AWEZNQCLSA-N 2 1 267.417 1.034 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266324931 894390812 /nfs/dbraw/zinc/39/08/12/894390812.db2.gz GNDCNRMONIPONH-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266324931 894390829 /nfs/dbraw/zinc/39/08/29/894390829.db2.gz GNDCNRMONIPONH-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266324931 894390851 /nfs/dbraw/zinc/39/08/51/894390851.db2.gz GNDCNRMONIPONH-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282469017 894440320 /nfs/dbraw/zinc/44/03/20/894440320.db2.gz OMTBBHXWUWXNIF-CQSZACIVSA-N 2 1 290.411 1.466 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282469017 894440329 /nfs/dbraw/zinc/44/03/29/894440329.db2.gz OMTBBHXWUWXNIF-CQSZACIVSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266408550 894748267 /nfs/dbraw/zinc/74/82/67/894748267.db2.gz LYBVAEUUBAYLDS-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001266483281 895032162 /nfs/dbraw/zinc/03/21/62/895032162.db2.gz SFEUKMBJPJZZSL-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001567498494 1168812606 /nfs/dbraw/zinc/81/26/06/1168812606.db2.gz KFWGAHNWPWFDGJ-AWEZNQCLSA-N 2 1 291.399 1.024 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001567498494 1168812618 /nfs/dbraw/zinc/81/26/18/1168812618.db2.gz KFWGAHNWPWFDGJ-AWEZNQCLSA-N 2 1 291.399 1.024 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC1 ZINC001283332164 896495153 /nfs/dbraw/zinc/49/51/53/896495153.db2.gz RLJSJCODNHDXQW-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267058386 896653004 /nfs/dbraw/zinc/65/30/04/896653004.db2.gz KSCNVXCOFPKYKK-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267175073 897013413 /nfs/dbraw/zinc/01/34/13/897013413.db2.gz PIESKLGGJRXAMG-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267241833 897299767 /nfs/dbraw/zinc/29/97/67/897299767.db2.gz MMPVEIXALZZXNW-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001267307794 897552532 /nfs/dbraw/zinc/55/25/32/897552532.db2.gz HPGFXSGZGAKDKW-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001267307794 897552546 /nfs/dbraw/zinc/55/25/46/897552546.db2.gz HPGFXSGZGAKDKW-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001267307794 897552558 /nfs/dbraw/zinc/55/25/58/897552558.db2.gz HPGFXSGZGAKDKW-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267491893 898147232 /nfs/dbraw/zinc/14/72/32/898147232.db2.gz PMSFZXZVBVYDHR-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267531525 898262870 /nfs/dbraw/zinc/26/28/70/898262870.db2.gz SVUQTDALIQVPKO-HOCLYGCPSA-N 2 1 291.439 1.342 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267564832 898380518 /nfs/dbraw/zinc/38/05/18/898380518.db2.gz FZXWZYBXTNFYNB-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267564832 898380531 /nfs/dbraw/zinc/38/05/31/898380531.db2.gz FZXWZYBXTNFYNB-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267564832 898380543 /nfs/dbraw/zinc/38/05/43/898380543.db2.gz FZXWZYBXTNFYNB-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267567915 898389743 /nfs/dbraw/zinc/38/97/43/898389743.db2.gz GPWRCCXBVDOTAF-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267567915 898389753 /nfs/dbraw/zinc/38/97/53/898389753.db2.gz GPWRCCXBVDOTAF-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001267567915 898389766 /nfs/dbraw/zinc/38/97/66/898389766.db2.gz GPWRCCXBVDOTAF-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001480975074 898416128 /nfs/dbraw/zinc/41/61/28/898416128.db2.gz FWXFXISWYUAUEK-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)CCc2c[nH]cn2)C1 ZINC001267742893 899524967 /nfs/dbraw/zinc/52/49/67/899524967.db2.gz DHUBOZMPUUODGC-CQSZACIVSA-N 2 1 276.384 1.499 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001481614676 901465570 /nfs/dbraw/zinc/46/55/70/901465570.db2.gz HGYWYLLQWLYMOX-HIFRSBDPSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481741072 901990483 /nfs/dbraw/zinc/99/04/83/901990483.db2.gz VYVWDSFPMALNSU-HUUCEWRRSA-N 2 1 281.444 1.681 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481754188 902018906 /nfs/dbraw/zinc/01/89/06/902018906.db2.gz JVPPTNFMDKLQCH-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001482027034 902483753 /nfs/dbraw/zinc/48/37/53/902483753.db2.gz WICNDPHWJYJIMY-WKILWMFISA-N 2 1 293.455 1.759 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001269149051 903479895 /nfs/dbraw/zinc/47/98/95/903479895.db2.gz NWBALGDFKOACEN-DLBZAZTESA-N 2 1 299.418 1.407 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001269235586 903595592 /nfs/dbraw/zinc/59/55/92/903595592.db2.gz MIVSBFZFSHOHIG-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001269235586 903595598 /nfs/dbraw/zinc/59/55/98/903595598.db2.gz MIVSBFZFSHOHIG-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001269235586 903595609 /nfs/dbraw/zinc/59/56/09/903595609.db2.gz MIVSBFZFSHOHIG-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001269254471 903614009 /nfs/dbraw/zinc/61/40/09/903614009.db2.gz AIWKNPOZYCLWFH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001269254471 903614013 /nfs/dbraw/zinc/61/40/13/903614013.db2.gz AIWKNPOZYCLWFH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001269254471 903614021 /nfs/dbraw/zinc/61/40/21/903614021.db2.gz AIWKNPOZYCLWFH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001269254471 903614024 /nfs/dbraw/zinc/61/40/24/903614024.db2.gz AIWKNPOZYCLWFH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269273706 903636835 /nfs/dbraw/zinc/63/68/35/903636835.db2.gz AVPXFZXCNXKRNB-HUUCEWRRSA-N 2 1 279.428 1.129 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001269345329 903717862 /nfs/dbraw/zinc/71/78/62/903717862.db2.gz OHCOPYYBIFMACK-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001269345329 903717880 /nfs/dbraw/zinc/71/78/80/903717880.db2.gz OHCOPYYBIFMACK-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001269345329 903717893 /nfs/dbraw/zinc/71/78/93/903717893.db2.gz OHCOPYYBIFMACK-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001269345329 903717904 /nfs/dbraw/zinc/71/79/04/903717904.db2.gz OHCOPYYBIFMACK-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001269422446 903796613 /nfs/dbraw/zinc/79/66/13/903796613.db2.gz BJYNTZCDWNWUJX-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001284640620 904131233 /nfs/dbraw/zinc/13/12/33/904131233.db2.gz GONUVGREPROWOY-LSDHHAIUSA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001269980075 904248060 /nfs/dbraw/zinc/24/80/60/904248060.db2.gz DLVGIIIJGIJZGQ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001270605254 904782538 /nfs/dbraw/zinc/78/25/38/904782538.db2.gz XOCWKFFVQKPVAX-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001567964907 1169098064 /nfs/dbraw/zinc/09/80/64/1169098064.db2.gz PRZFEMKUBOVZBN-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001483404088 911068339 /nfs/dbraw/zinc/06/83/39/911068339.db2.gz PEHQYIIAQDDWCY-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CC ZINC001483404088 911068353 /nfs/dbraw/zinc/06/83/53/911068353.db2.gz PEHQYIIAQDDWCY-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CC ZINC001483404088 911068366 /nfs/dbraw/zinc/06/83/66/911068366.db2.gz PEHQYIIAQDDWCY-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001507415684 911102004 /nfs/dbraw/zinc/10/20/04/911102004.db2.gz LKCRHKORTIESDQ-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001483892382 915184367 /nfs/dbraw/zinc/18/43/67/915184367.db2.gz JTIBFFGEDFMHKD-INIZCTEOSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484176617 915492439 /nfs/dbraw/zinc/49/24/39/915492439.db2.gz VVXGBBSJYXLQBS-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484176617 915492446 /nfs/dbraw/zinc/49/24/46/915492446.db2.gz VVXGBBSJYXLQBS-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484176617 915492454 /nfs/dbraw/zinc/49/24/54/915492454.db2.gz VVXGBBSJYXLQBS-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001484582448 915899768 /nfs/dbraw/zinc/89/97/68/915899768.db2.gz XHMNAHRYWSBEAQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001484757621 916144989 /nfs/dbraw/zinc/14/49/89/916144989.db2.gz PFZJRRYUUPKVGG-UHFFFAOYSA-N 2 1 255.406 1.295 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485955444 920593905 /nfs/dbraw/zinc/59/39/05/920593905.db2.gz MJRJJKNEVDZLBV-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888043 922023886 /nfs/dbraw/zinc/02/38/86/922023886.db2.gz LDLVWLBCEZCYDS-OLZOCXBDSA-N 2 1 282.432 1.333 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001488663992 926654011 /nfs/dbraw/zinc/65/40/11/926654011.db2.gz QIHABBMMLNDYFJ-OLZOCXBDSA-N 2 1 253.390 1.045 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490729807 927337152 /nfs/dbraw/zinc/33/71/52/927337152.db2.gz XUWYXPCQUJLWRP-GXTWGEPZSA-N 2 1 299.846 1.565 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001495423130 927341070 /nfs/dbraw/zinc/34/10/70/927341070.db2.gz RIXWLIXYBXFCSY-UHFFFAOYSA-N 2 1 288.395 1.043 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001274446915 931500747 /nfs/dbraw/zinc/50/07/47/931500747.db2.gz SVMPMEIYYJWHOP-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)CCC=C ZINC001274791887 931576452 /nfs/dbraw/zinc/57/64/52/931576452.db2.gz UQTMKERVMZEDMS-XHSDSOJGSA-N 2 1 291.439 1.533 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)CCC=C ZINC001274791887 931576459 /nfs/dbraw/zinc/57/64/59/931576459.db2.gz UQTMKERVMZEDMS-XHSDSOJGSA-N 2 1 291.439 1.533 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001275310048 931731389 /nfs/dbraw/zinc/73/13/89/931731389.db2.gz XSRKHKVGTCWXKZ-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568630487 1169407172 /nfs/dbraw/zinc/40/71/72/1169407172.db2.gz DSMBTPVCCWAZKR-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001276727566 940903499 /nfs/dbraw/zinc/90/34/99/940903499.db2.gz PXMZKAZNVYPOHV-APIJFGDWSA-N 2 1 279.428 1.197 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001277210164 942178047 /nfs/dbraw/zinc/17/80/47/942178047.db2.gz JFVXVCYPICVQBS-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001277298990 942314026 /nfs/dbraw/zinc/31/40/26/942314026.db2.gz KJTGCTOYVRPQMF-HNNXBMFYSA-N 2 1 295.471 1.862 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001280470990 942449281 /nfs/dbraw/zinc/44/92/81/942449281.db2.gz KIFRSEAFAPDHIF-CYBMUJFWSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001280480297 942450791 /nfs/dbraw/zinc/45/07/91/942450791.db2.gz JIHVWZBYGHKODK-CQSZACIVSA-N 2 1 277.412 1.121 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001282461573 942716365 /nfs/dbraw/zinc/71/63/65/942716365.db2.gz NMNPQIQLBAZXEU-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001282461573 942716370 /nfs/dbraw/zinc/71/63/70/942716370.db2.gz NMNPQIQLBAZXEU-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001282461573 942716375 /nfs/dbraw/zinc/71/63/75/942716375.db2.gz NMNPQIQLBAZXEU-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282478465 942720839 /nfs/dbraw/zinc/72/08/39/942720839.db2.gz RBIJTYIZXQNHRV-STQMWFEESA-N 2 1 255.406 1.339 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001283174270 942844585 /nfs/dbraw/zinc/84/45/85/942844585.db2.gz RNQCUJRYLUVISW-HZPDHXFCSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001316628416 942938020 /nfs/dbraw/zinc/93/80/20/942938020.db2.gz MWNAUJMLXNZJGA-FPCVCCKLSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001316630372 943011199 /nfs/dbraw/zinc/01/11/99/943011199.db2.gz JGDMUXOCZFTAOB-BZUAXINKSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094756 944228192 /nfs/dbraw/zinc/22/81/92/944228192.db2.gz JHORLMSPYKULFY-UKRRQHHQSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265231060 944286946 /nfs/dbraw/zinc/28/69/46/944286946.db2.gz REUOVLDAOGGNGW-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1 ZINC001265826693 944527439 /nfs/dbraw/zinc/52/74/39/944527439.db2.gz JOKZKCPXMKLCRS-UAGQMJEPSA-N 2 1 299.418 1.059 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265919435 944574746 /nfs/dbraw/zinc/57/47/46/944574746.db2.gz MTTHOVYNYSEBMM-CYBMUJFWSA-N 2 1 289.851 1.763 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265919435 944574744 /nfs/dbraw/zinc/57/47/44/944574744.db2.gz MTTHOVYNYSEBMM-CYBMUJFWSA-N 2 1 289.851 1.763 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266143768 944710639 /nfs/dbraw/zinc/71/06/39/944710639.db2.gz IOHCQGGGFNNVHT-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001479816231 971434574 /nfs/dbraw/zinc/43/45/74/971434574.db2.gz RSMYEAFWRQTFBO-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001480021025 971541180 /nfs/dbraw/zinc/54/11/80/971541180.db2.gz MBFNGTRGMCEYCM-ARFHVFGLSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001480064078 971560915 /nfs/dbraw/zinc/56/09/15/971560915.db2.gz NKPWWFQOGUFNJL-HNNXBMFYSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480207566 971628456 /nfs/dbraw/zinc/62/84/56/971628456.db2.gz CGRGBLTVCYSDTL-BETUJISGSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001324905799 953629225 /nfs/dbraw/zinc/62/92/25/953629225.db2.gz WOPHTJOHADPTIZ-UHFFFAOYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001493264022 972001235 /nfs/dbraw/zinc/00/12/35/972001235.db2.gz NMJVLSGWYCHEPO-HNNXBMFYSA-N 2 1 279.428 1.487 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001493269724 972003622 /nfs/dbraw/zinc/00/36/22/972003622.db2.gz YRLHGSLCBYVQBO-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001493375453 972035805 /nfs/dbraw/zinc/03/58/05/972035805.db2.gz IFNWXGWZBJXHBA-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001493375453 972035812 /nfs/dbraw/zinc/03/58/12/972035812.db2.gz IFNWXGWZBJXHBA-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001493375453 972035819 /nfs/dbraw/zinc/03/58/19/972035819.db2.gz IFNWXGWZBJXHBA-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001316875119 956864248 /nfs/dbraw/zinc/86/42/48/956864248.db2.gz DWEJJQYVGMAAQT-GJZGRUSLSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317097242 956956364 /nfs/dbraw/zinc/95/63/64/956956364.db2.gz RFPQOXJWHCGVKR-HDJSIYSDSA-N 2 1 276.384 1.395 10 30 CDEEMP C=CCOCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001331489471 957098767 /nfs/dbraw/zinc/09/87/67/957098767.db2.gz LPROVWXMGVEADA-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001317051605 957227919 /nfs/dbraw/zinc/22/79/19/957227919.db2.gz JLEDIWVZKKONDO-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001317051605 957227924 /nfs/dbraw/zinc/22/79/24/957227924.db2.gz JLEDIWVZKKONDO-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001317051605 957227932 /nfs/dbraw/zinc/22/79/32/957227932.db2.gz JLEDIWVZKKONDO-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001317379858 957443389 /nfs/dbraw/zinc/44/33/89/957443389.db2.gz SXIJFMXWKOMAAB-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+](C)C ZINC001317428588 957467019 /nfs/dbraw/zinc/46/70/19/957467019.db2.gz CTDOQLTYCYQGHT-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317478629 957502532 /nfs/dbraw/zinc/50/25/32/957502532.db2.gz QZIZUUOSFSFPMO-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001317478629 957502539 /nfs/dbraw/zinc/50/25/39/957502539.db2.gz QZIZUUOSFSFPMO-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001317478629 957502543 /nfs/dbraw/zinc/50/25/43/957502543.db2.gz QZIZUUOSFSFPMO-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001317535929 957533528 /nfs/dbraw/zinc/53/35/28/957533528.db2.gz KVYVSKYNFRCDFW-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001317535929 957533534 /nfs/dbraw/zinc/53/35/34/957533534.db2.gz KVYVSKYNFRCDFW-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001317535929 957533536 /nfs/dbraw/zinc/53/35/36/957533536.db2.gz KVYVSKYNFRCDFW-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001318729748 958248284 /nfs/dbraw/zinc/24/82/84/958248284.db2.gz POSNDVJRJBCLEG-WMLDXEAASA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320564902 959245960 /nfs/dbraw/zinc/24/59/60/959245960.db2.gz UMUVDTMQOWDBBA-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001320756922 959371766 /nfs/dbraw/zinc/37/17/66/959371766.db2.gz UNCVSKWTYGRCIG-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=C)Cl ZINC001322549405 960257316 /nfs/dbraw/zinc/25/73/16/960257316.db2.gz NSINTLOPNUDGOW-AWEZNQCLSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=C)Cl ZINC001322549405 960257324 /nfs/dbraw/zinc/25/73/24/960257324.db2.gz NSINTLOPNUDGOW-AWEZNQCLSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001495434836 972499259 /nfs/dbraw/zinc/49/92/59/972499259.db2.gz NLSOVMWPGLJYQV-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001323371849 960686274 /nfs/dbraw/zinc/68/62/74/960686274.db2.gz OWPXZNJZVJZYDF-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001323371849 960686290 /nfs/dbraw/zinc/68/62/90/960686290.db2.gz OWPXZNJZVJZYDF-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001323692912 960919454 /nfs/dbraw/zinc/91/94/54/960919454.db2.gz HURPYTRBQPDXNV-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001324286075 961283829 /nfs/dbraw/zinc/28/38/29/961283829.db2.gz NSTQUXZNPXDJPD-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420493119 962977459 /nfs/dbraw/zinc/97/74/59/962977459.db2.gz KSGMNMCFSSDBLQ-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420493119 962977479 /nfs/dbraw/zinc/97/74/79/962977479.db2.gz KSGMNMCFSSDBLQ-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420493119 962977493 /nfs/dbraw/zinc/97/74/93/962977493.db2.gz KSGMNMCFSSDBLQ-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420493119 962977503 /nfs/dbraw/zinc/97/75/03/962977503.db2.gz KSGMNMCFSSDBLQ-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001420784698 963235682 /nfs/dbraw/zinc/23/56/82/963235682.db2.gz HKAMMVFJHHQMTK-STQMWFEESA-N 2 1 285.819 1.175 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001540797938 967172710 /nfs/dbraw/zinc/17/27/10/967172710.db2.gz KLUYSOOZTVTAHZ-TZMCWYRMSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCCCn1cc[nH+]c1C ZINC001544367915 967357781 /nfs/dbraw/zinc/35/77/81/967357781.db2.gz NRLMDYMPGFMARR-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC001357993671 969676320 /nfs/dbraw/zinc/67/63/20/969676320.db2.gz PZTFHAAVOHFKFP-RDBSUJKOSA-N 2 1 265.401 1.223 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001496184093 972831353 /nfs/dbraw/zinc/83/13/53/972831353.db2.gz STFCFMYHDMKRDG-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001496230056 972848545 /nfs/dbraw/zinc/84/85/45/972848545.db2.gz PHRMKGNLKBLTEO-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001497816544 973534929 /nfs/dbraw/zinc/53/49/29/973534929.db2.gz SWDRDXYQXVQZJS-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001500520055 974447810 /nfs/dbraw/zinc/44/78/10/974447810.db2.gz XVVQDKCQYHSIED-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001506012402 975083318 /nfs/dbraw/zinc/08/33/18/975083318.db2.gz GBZAXQAQZNDGKM-ZDUSSCGKSA-N 2 1 278.400 1.629 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001506012402 975083321 /nfs/dbraw/zinc/08/33/21/975083321.db2.gz GBZAXQAQZNDGKM-ZDUSSCGKSA-N 2 1 278.400 1.629 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001506014904 975085389 /nfs/dbraw/zinc/08/53/89/975085389.db2.gz KUYGFYVZLDHYEJ-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001506014904 975085394 /nfs/dbraw/zinc/08/53/94/975085394.db2.gz KUYGFYVZLDHYEJ-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001506014904 975085399 /nfs/dbraw/zinc/08/53/99/975085399.db2.gz KUYGFYVZLDHYEJ-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001506065016 975106772 /nfs/dbraw/zinc/10/67/72/975106772.db2.gz HFKLZPAIEWOLKY-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001506936903 975266231 /nfs/dbraw/zinc/26/62/31/975266231.db2.gz WUSMSEURWYBVQM-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001507904165 975562985 /nfs/dbraw/zinc/56/29/85/975562985.db2.gz SBEPFUVKQVWOPR-CHWSQXEVSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001398946117 976263302 /nfs/dbraw/zinc/26/33/02/976263302.db2.gz FOQYVZXKYDOSMR-QWHCGFSZSA-N 2 1 287.835 1.708 10 30 CDEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001570826849 1170289516 /nfs/dbraw/zinc/28/95/16/1170289516.db2.gz FFKBCIKKKHGMKE-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001570826849 1170289518 /nfs/dbraw/zinc/28/95/18/1170289518.db2.gz FFKBCIKKKHGMKE-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001570826849 1170289523 /nfs/dbraw/zinc/28/95/23/1170289523.db2.gz FFKBCIKKKHGMKE-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001571371920 1170389709 /nfs/dbraw/zinc/38/97/09/1170389709.db2.gz AWOHLMBIWJSGNH-CQSZACIVSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001571392048 1170407985 /nfs/dbraw/zinc/40/79/85/1170407985.db2.gz ODURDPSCTBYOKI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001571519963 1170462065 /nfs/dbraw/zinc/46/20/65/1170462065.db2.gz YYBONPMOMKNQFN-LSDHHAIUSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001571519961 1170462355 /nfs/dbraw/zinc/46/23/55/1170462355.db2.gz YYBONPMOMKNQFN-GJZGRUSLSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957439 1171905840 /nfs/dbraw/zinc/90/58/40/1171905840.db2.gz PYXONMZSRMDBBO-ILXRZTDVSA-N 2 1 299.434 1.821 10 30 CDEEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436719 342899860 /nfs/dbraw/zinc/89/98/60/342899860.db2.gz FWIUEIDHVPWVEJ-RBSFLKMASA-N 2 1 294.443 1.634 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600728406 342245447 /nfs/dbraw/zinc/24/54/47/342245447.db2.gz PICLJRFBPUNKAK-JKSUJKDBSA-N 2 1 293.455 1.999 10 30 CDEEMP N#Cc1ccc(CC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000595893657 343182632 /nfs/dbraw/zinc/18/26/32/343182632.db2.gz RQCXPXQQUSNAFR-UHFFFAOYSA-N 2 1 255.365 1.929 10 30 CDEEMP C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506926 345678591 /nfs/dbraw/zinc/67/85/91/345678591.db2.gz CKOCINZPAWDMLV-GOEBONIOSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C[C@](C)(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506926 345678592 /nfs/dbraw/zinc/67/85/92/345678592.db2.gz CKOCINZPAWDMLV-GOEBONIOSA-N 2 1 283.460 1.977 10 30 CDEEMP N#Cc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312007587 350737854 /nfs/dbraw/zinc/73/78/54/350737854.db2.gz IAZGRBFUPFCDFU-GASCZTMLSA-N 2 1 255.365 1.990 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634702234 357373874 /nfs/dbraw/zinc/37/38/74/357373874.db2.gz CKXZUEMDQDCQRW-SJORKVTESA-N 2 1 296.455 1.529 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000678049682 538886077 /nfs/dbraw/zinc/88/60/77/538886077.db2.gz ORRKTMBHLAPRQZ-QGZVFWFLSA-N 2 1 298.471 1.994 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)N2CCOCC2)CC1 ZINC000638524914 370747199 /nfs/dbraw/zinc/74/71/99/370747199.db2.gz VICVKQVIIGCYBX-UHFFFAOYSA-N 2 1 295.471 1.727 10 30 CDEEMP COc1ccc(C#N)cc1CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193623032 375883325 /nfs/dbraw/zinc/88/33/25/375883325.db2.gz MVZWHISPHSCGKO-GASCZTMLSA-N 2 1 271.364 1.560 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001662899202 1172612136 /nfs/dbraw/zinc/61/21/36/1172612136.db2.gz SGBHJXCSFVASHQ-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663684277 1172746298 /nfs/dbraw/zinc/74/62/98/1172746298.db2.gz VBBYNVRJPTWNQA-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663684277 1172746283 /nfs/dbraw/zinc/74/62/83/1172746283.db2.gz VBBYNVRJPTWNQA-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001663684277 1172746288 /nfs/dbraw/zinc/74/62/88/1172746288.db2.gz VBBYNVRJPTWNQA-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001664543271 1172865237 /nfs/dbraw/zinc/86/52/37/1172865237.db2.gz HJDNWTINASWBCD-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000662682242 413307839 /nfs/dbraw/zinc/30/78/39/413307839.db2.gz OYUDYHLYTUNPEM-IJEWVQPXSA-N 2 1 277.412 1.428 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701845 413348960 /nfs/dbraw/zinc/34/89/60/413348960.db2.gz VNJPVQYCQBZGPW-WBVHZDCISA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCC[NH2+]1 ZINC000662732591 413399761 /nfs/dbraw/zinc/39/97/61/413399761.db2.gz YHZDJTUTPVGZKL-KCQAQPDRSA-N 2 1 265.401 1.284 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@@H+](C)C1CC1 ZINC000662090341 414508876 /nfs/dbraw/zinc/50/88/76/414508876.db2.gz NOSIAPSOTMJISQ-QLFBSQMISA-N 2 1 250.386 1.625 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@H+](C)C1CC1 ZINC000662090341 414508879 /nfs/dbraw/zinc/50/88/79/414508879.db2.gz NOSIAPSOTMJISQ-QLFBSQMISA-N 2 1 250.386 1.625 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C[NH+](C)C1CC1 ZINC000662090341 414508882 /nfs/dbraw/zinc/50/88/82/414508882.db2.gz NOSIAPSOTMJISQ-QLFBSQMISA-N 2 1 250.386 1.625 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C[NH+](C)C1CC1 ZINC000662090341 414508887 /nfs/dbraw/zinc/50/88/87/414508887.db2.gz NOSIAPSOTMJISQ-QLFBSQMISA-N 2 1 250.386 1.625 10 30 CDEEMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299613 414625604 /nfs/dbraw/zinc/62/56/04/414625604.db2.gz SHZAKRCOTBITGH-KGLIPLIRSA-N 2 1 250.386 1.796 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000043689010 175095188 /nfs/dbraw/zinc/09/51/88/175095188.db2.gz WHFIHVJLGBIJDA-LBPRGKRZSA-N 2 1 250.367 1.015 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCCC[C@H]2CCO)c1 ZINC000043688837 175096072 /nfs/dbraw/zinc/09/60/72/175096072.db2.gz MOEKBXLZNYHLGF-AWEZNQCLSA-N 2 1 278.421 1.795 10 30 CDEEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1C#CC[NH3+] ZINC000071192978 176074646 /nfs/dbraw/zinc/07/46/46/176074646.db2.gz WTNGJFNZVWLFEW-CQSZACIVSA-N 2 1 285.391 1.021 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001666526299 1173147215 /nfs/dbraw/zinc/14/72/15/1173147215.db2.gz XITNGDKACYBLEC-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001667520046 1173279826 /nfs/dbraw/zinc/27/98/26/1173279826.db2.gz SRPUGUNEOAKZCZ-GJZGRUSLSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001667520046 1173279831 /nfs/dbraw/zinc/27/98/31/1173279831.db2.gz SRPUGUNEOAKZCZ-GJZGRUSLSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001669664196 1173582523 /nfs/dbraw/zinc/58/25/23/1173582523.db2.gz FTSNHGQONGQUBC-LBPRGKRZSA-N 2 1 292.383 1.164 10 30 CDEEMP CN1CC[NH+]=C1NCCc1[nH+]ccn1Cc1ccccc1 ZINC000262642839 330024142 /nfs/dbraw/zinc/02/41/42/330024142.db2.gz IDINPHJDOGUMGS-UHFFFAOYSA-N 2 1 283.379 1.365 10 30 CDEEMP C[NH+]=C(NCC1CCC1)NC[C@]1([NH+](C)C)CCSC1 ZINC000262796523 330032348 /nfs/dbraw/zinc/03/23/48/330032348.db2.gz PNIMPCHKVUDYKC-CQSZACIVSA-N 2 1 284.473 1.389 10 30 CDEEMP C#CCC[NH+]1CCCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001725237088 1159234833 /nfs/dbraw/zinc/23/48/33/1159234833.db2.gz ADTNSEBGCGMNEF-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001725237088 1159234839 /nfs/dbraw/zinc/23/48/39/1159234839.db2.gz ADTNSEBGCGMNEF-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001725237088 1159234842 /nfs/dbraw/zinc/23/48/42/1159234842.db2.gz ADTNSEBGCGMNEF-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001267331790 1159274983 /nfs/dbraw/zinc/27/49/83/1159274983.db2.gz RTNXAYBYGWTWHX-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267331790 1159274987 /nfs/dbraw/zinc/27/49/87/1159274987.db2.gz RTNXAYBYGWTWHX-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001267331790 1159274995 /nfs/dbraw/zinc/27/49/95/1159274995.db2.gz RTNXAYBYGWTWHX-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001731632361 1159318186 /nfs/dbraw/zinc/31/81/86/1159318186.db2.gz GZXASRBQPVIUAV-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001700475282 1176964084 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10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941158744 613226016 /nfs/dbraw/zinc/22/60/16/613226016.db2.gz UZLNINXMTNSIKC-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941158744 613226017 /nfs/dbraw/zinc/22/60/17/613226017.db2.gz UZLNINXMTNSIKC-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000900390516 622970873 /nfs/dbraw/zinc/97/08/73/622970873.db2.gz GXHFVEWWPAXCHA-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905096250 626637032 /nfs/dbraw/zinc/63/70/32/626637032.db2.gz LDKKPMXRUSPBKH-HNNXBMFYSA-N 2 1 282.428 1.283 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000907851118 627857948 /nfs/dbraw/zinc/85/79/48/627857948.db2.gz NHERETOHEULJPQ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690982199 1158513938 /nfs/dbraw/zinc/51/39/38/1158513938.db2.gz SPVULZBTEWDQMK-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001690982199 1158513944 /nfs/dbraw/zinc/51/39/44/1158513944.db2.gz SPVULZBTEWDQMK-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001690982199 1158513948 /nfs/dbraw/zinc/51/39/48/1158513948.db2.gz SPVULZBTEWDQMK-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001691324413 1159017857 /nfs/dbraw/zinc/01/78/57/1159017857.db2.gz FIVXLRRCXAUZEZ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000806594690 1162690735 /nfs/dbraw/zinc/69/07/35/1162690735.db2.gz OZPBMALYDVXBQS-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CCC[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000806594690 1162690738 /nfs/dbraw/zinc/69/07/38/1162690738.db2.gz OZPBMALYDVXBQS-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)CC[N@@H+](C)CCC)C1 ZINC001267668067 1159562900 /nfs/dbraw/zinc/56/29/00/1159562900.db2.gz WHSPBNSBIAEMNF-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)CC[N@H+](C)CCC)C1 ZINC001267668067 1159562903 /nfs/dbraw/zinc/56/29/03/1159562903.db2.gz WHSPBNSBIAEMNF-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001275168471 1166660550 /nfs/dbraw/zinc/66/05/50/1166660550.db2.gz XOXJCIYYNHQNBO-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001275168471 1166660555 /nfs/dbraw/zinc/66/05/55/1166660555.db2.gz XOXJCIYYNHQNBO-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275168471 1166660560 /nfs/dbraw/zinc/66/05/60/1166660560.db2.gz XOXJCIYYNHQNBO-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC001640019659 1166984461 /nfs/dbraw/zinc/98/44/61/1166984461.db2.gz DPMWQJSVUHUQLF-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC001640019659 1166984473 /nfs/dbraw/zinc/98/44/73/1166984473.db2.gz DPMWQJSVUHUQLF-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC)C1 ZINC001565844048 1168182633 /nfs/dbraw/zinc/18/26/33/1168182633.db2.gz NBLYAXJMGUYUBW-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC)C1 ZINC001565844048 1168182635 /nfs/dbraw/zinc/18/26/35/1168182635.db2.gz NBLYAXJMGUYUBW-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001567524448 1168831132 /nfs/dbraw/zinc/83/11/32/1168831132.db2.gz RVSBFWADJBQJTA-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001567928179 1169075442 /nfs/dbraw/zinc/07/54/42/1169075442.db2.gz CXBKLLWJWMDYOC-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001568072904 1169133008 /nfs/dbraw/zinc/13/30/08/1169133008.db2.gz ILZCYTGKBSZZOI-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001568129738 1169141547 /nfs/dbraw/zinc/14/15/47/1169141547.db2.gz HYGUEPXCWPJUTK-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001568192444 1169171341 /nfs/dbraw/zinc/17/13/41/1169171341.db2.gz WPHJLXWTFHHIIV-LSDHHAIUSA-N 2 1 279.428 1.084 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569612295 1169936547 /nfs/dbraw/zinc/93/65/47/1169936547.db2.gz ADYPMLPOWRNCFI-ZBFHGGJFSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CCC1 ZINC001570108261 1170081613 /nfs/dbraw/zinc/08/16/13/1170081613.db2.gz PPDIHVZKEJGTRD-OAHLLOKOSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001570359518 1170142325 /nfs/dbraw/zinc/14/23/25/1170142325.db2.gz WVNKSLMOQYRDCD-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001571192703 1170343983 /nfs/dbraw/zinc/34/39/83/1170343983.db2.gz OKESPQIQLRCFMA-VGWMRTNUSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001669040147 1173497878 /nfs/dbraw/zinc/49/78/78/1173497878.db2.gz UBICJWXJNGMZTQ-VSQXVHSFSA-N 2 1 285.819 1.343 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001670051636 1173649764 /nfs/dbraw/zinc/64/97/64/1173649764.db2.gz XSIVSWQOMXOVEZ-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001670051636 1173649767 /nfs/dbraw/zinc/64/97/67/1173649767.db2.gz XSIVSWQOMXOVEZ-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1CCCC1 ZINC001671518222 1173685707 /nfs/dbraw/zinc/68/57/07/1173685707.db2.gz DEGDOSVJRSCLOO-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001689019424 1175084541 /nfs/dbraw/zinc/08/45/41/1175084541.db2.gz UGLRGJPASVMSFK-RRFJBIMHSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001690601845 1175518590 /nfs/dbraw/zinc/51/85/90/1175518590.db2.gz JVULDGQWKJMDON-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001691831832 1175633383 /nfs/dbraw/zinc/63/33/83/1175633383.db2.gz TZLBKEPIQYOGFR-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691909668 1175650217 /nfs/dbraw/zinc/65/02/17/1175650217.db2.gz ZRUINPIIASMRKB-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001691909668 1175650218 /nfs/dbraw/zinc/65/02/18/1175650218.db2.gz ZRUINPIIASMRKB-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001691909668 1175650219 /nfs/dbraw/zinc/65/02/19/1175650219.db2.gz ZRUINPIIASMRKB-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001698990510 1176017582 /nfs/dbraw/zinc/01/75/82/1176017582.db2.gz GBUFPGWVLHRMHZ-UHFFFAOYSA-N 2 1 286.379 1.833 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001699384959 1176344604 /nfs/dbraw/zinc/34/46/04/1176344604.db2.gz WJSDPTKZYQWVQT-ZBFHGGJFSA-N 2 1 289.423 1.960 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001699734444 1176597726 /nfs/dbraw/zinc/59/77/26/1176597726.db2.gz NKYXZUYPNZSIOS-GJZGRUSLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001700154203 1176775962 /nfs/dbraw/zinc/77/59/62/1176775962.db2.gz DOWVBCSBISWVAV-HNNXBMFYSA-N 2 1 291.439 1.513 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)C ZINC001700754748 1177116069 /nfs/dbraw/zinc/11/60/69/1177116069.db2.gz ZGOROHXNEFPDSU-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)C ZINC001700754748 1177116074 /nfs/dbraw/zinc/11/60/74/1177116074.db2.gz ZGOROHXNEFPDSU-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001701032505 1177247758 /nfs/dbraw/zinc/24/77/58/1177247758.db2.gz AUVDMXOTFKXSLM-UHFFFAOYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707066222 1177935742 /nfs/dbraw/zinc/93/57/42/1177935742.db2.gz QNFYLUBWRJKADF-APIJFGDWSA-N 2 1 279.428 1.387 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001707415690 1178030366 /nfs/dbraw/zinc/03/03/66/1178030366.db2.gz XKYONVYOGMEUER-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086489 1178359673 /nfs/dbraw/zinc/35/96/73/1178359673.db2.gz RRACXMLGTXBBSK-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001713166199 1178408263 /nfs/dbraw/zinc/40/82/63/1178408263.db2.gz LKZBFLXVVMTBKS-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001713175429 1178413893 /nfs/dbraw/zinc/41/38/93/1178413893.db2.gz BWPXJNARQYVROJ-RBSFLKMASA-N 2 1 277.412 1.121 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001713181940 1178415284 /nfs/dbraw/zinc/41/52/84/1178415284.db2.gz LHWWMYATULIMMT-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001713217601 1178437803 /nfs/dbraw/zinc/43/78/03/1178437803.db2.gz FQXAUJITIHBOQI-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001713217601 1178437804 /nfs/dbraw/zinc/43/78/04/1178437804.db2.gz FQXAUJITIHBOQI-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001713217601 1178437808 /nfs/dbraw/zinc/43/78/08/1178437808.db2.gz FQXAUJITIHBOQI-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713220921 1178440585 /nfs/dbraw/zinc/44/05/85/1178440585.db2.gz VZELUMJLQWIHGO-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220921 1178440590 /nfs/dbraw/zinc/44/05/90/1178440590.db2.gz VZELUMJLQWIHGO-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220921 1178440595 /nfs/dbraw/zinc/44/05/95/1178440595.db2.gz VZELUMJLQWIHGO-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001713256179 1178455857 /nfs/dbraw/zinc/45/58/57/1178455857.db2.gz BGWGWWRXLRLKCJ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713411296 1178545886 /nfs/dbraw/zinc/54/58/86/1178545886.db2.gz ATFDVXKDUVRQQD-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001713519185 1178620168 /nfs/dbraw/zinc/62/01/68/1178620168.db2.gz UYWWYFSWLRXOTA-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001713519185 1178620172 /nfs/dbraw/zinc/62/01/72/1178620172.db2.gz UYWWYFSWLRXOTA-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001713897134 1178827704 /nfs/dbraw/zinc/82/77/04/1178827704.db2.gz OKMBKBLUXDPYAQ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001713897134 1178827711 /nfs/dbraw/zinc/82/77/11/1178827711.db2.gz OKMBKBLUXDPYAQ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001713897134 1178827718 /nfs/dbraw/zinc/82/77/18/1178827718.db2.gz OKMBKBLUXDPYAQ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714004856 1178923477 /nfs/dbraw/zinc/92/34/77/1178923477.db2.gz XGLABXCGLQNAEO-KBPBESRZSA-N 2 1 285.407 1.385 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001714114865 1178979361 /nfs/dbraw/zinc/97/93/61/1178979361.db2.gz ODBDWFVJFWRCAZ-GJZGRUSLSA-N 2 1 290.411 1.991 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714121851 1178982938 /nfs/dbraw/zinc/98/29/38/1178982938.db2.gz CRPZRGDNAKDKDR-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714277580 1179061753 /nfs/dbraw/zinc/06/17/53/1179061753.db2.gz BZVGAHFRCXIPRA-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC ZINC001714338561 1179092330 /nfs/dbraw/zinc/09/23/30/1179092330.db2.gz LNAJLAUVHGAGSI-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC ZINC001714338561 1179092335 /nfs/dbraw/zinc/09/23/35/1179092335.db2.gz LNAJLAUVHGAGSI-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714566342 1179221554 /nfs/dbraw/zinc/22/15/54/1179221554.db2.gz YSEQZBNSLJFCFW-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714566342 1179221562 /nfs/dbraw/zinc/22/15/62/1179221562.db2.gz YSEQZBNSLJFCFW-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714566342 1179221568 /nfs/dbraw/zinc/22/15/68/1179221568.db2.gz YSEQZBNSLJFCFW-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714648826 1179297541 /nfs/dbraw/zinc/29/75/41/1179297541.db2.gz ORYKWNRNVQRRED-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001714798136 1179402915 /nfs/dbraw/zinc/40/29/15/1179402915.db2.gz QIMOKWUQCUAATA-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714964201 1179481803 /nfs/dbraw/zinc/48/18/03/1179481803.db2.gz DNUFKFSNXRXMAH-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001715056831 1179532613 /nfs/dbraw/zinc/53/26/13/1179532613.db2.gz KVZQVXLRDHPWHZ-SOUVJXGZSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001715985690 1179964964 /nfs/dbraw/zinc/96/49/64/1179964964.db2.gz ZWQABZQKUDHVSR-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)Cn1c[nH+]cc1C ZINC001716229997 1180111989 /nfs/dbraw/zinc/11/19/89/1180111989.db2.gz MWZPDGRAXWLBGP-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001716395864 1180184309 /nfs/dbraw/zinc/18/43/09/1180184309.db2.gz VKKQCKYXOBLUTN-QLFBSQMISA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716496632 1180252644 /nfs/dbraw/zinc/25/26/44/1180252644.db2.gz ZMMNFJTZQHJJKH-CQSZACIVSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716496632 1180252645 /nfs/dbraw/zinc/25/26/45/1180252645.db2.gz ZMMNFJTZQHJJKH-CQSZACIVSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001716496632 1180252646 /nfs/dbraw/zinc/25/26/46/1180252646.db2.gz ZMMNFJTZQHJJKH-CQSZACIVSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001716671610 1180355908 /nfs/dbraw/zinc/35/59/08/1180355908.db2.gz QZVVHSVOWLBAPJ-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716671610 1180355914 /nfs/dbraw/zinc/35/59/14/1180355914.db2.gz QZVVHSVOWLBAPJ-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716671610 1180355922 /nfs/dbraw/zinc/35/59/22/1180355922.db2.gz QZVVHSVOWLBAPJ-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716681385 1180366709 /nfs/dbraw/zinc/36/67/09/1180366709.db2.gz NREDRSDZFZCDLG-AWEZNQCLSA-N 2 1 279.428 1.674 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001716696615 1180375677 /nfs/dbraw/zinc/37/56/77/1180375677.db2.gz PUFLNLUKZABWPP-CABCVRRESA-N 2 1 291.439 1.818 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001716887416 1180453277 /nfs/dbraw/zinc/45/32/77/1180453277.db2.gz LZCZEQCOHMNGBW-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001717336452 1180621297 /nfs/dbraw/zinc/62/12/97/1180621297.db2.gz FTJLJGQWPLPFKZ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001717388113 1180642877 /nfs/dbraw/zinc/64/28/77/1180642877.db2.gz MPQCYQDFRWLFLO-JXQTWKCFSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001717412675 1180659517 /nfs/dbraw/zinc/65/95/17/1180659517.db2.gz JSRDNIFUCSPYGM-GHMZBOCLSA-N 2 1 250.346 1.011 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001717458863 1180680138 /nfs/dbraw/zinc/68/01/38/1180680138.db2.gz HXJNPVFNTCZCLS-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717601534 1180755106 /nfs/dbraw/zinc/75/51/06/1180755106.db2.gz XHUFJIJYFROJGU-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717601534 1180755109 /nfs/dbraw/zinc/75/51/09/1180755109.db2.gz XHUFJIJYFROJGU-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@H](C)C3)[C@@H]2C1 ZINC001717601534 1180755115 /nfs/dbraw/zinc/75/51/15/1180755115.db2.gz XHUFJIJYFROJGU-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001717957593 1180946797 /nfs/dbraw/zinc/94/67/97/1180946797.db2.gz IMCXJNJXNJJSJJ-ZIAGYGMSSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001717957593 1180946801 /nfs/dbraw/zinc/94/68/01/1180946801.db2.gz IMCXJNJXNJJSJJ-ZIAGYGMSSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001717972238 1180952577 /nfs/dbraw/zinc/95/25/77/1180952577.db2.gz CHEIXXUKSZCMAV-KBPBESRZSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001723384345 1181546328 /nfs/dbraw/zinc/54/63/28/1181546328.db2.gz ICWRCNOISDWKLJ-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001724077846 1181633603 /nfs/dbraw/zinc/63/36/03/1181633603.db2.gz RNANDKOLBWHRQZ-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724307110 1181661856 /nfs/dbraw/zinc/66/18/56/1181661856.db2.gz RVJMCLMXAHLAEN-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001724856669 1181778406 /nfs/dbraw/zinc/77/84/06/1181778406.db2.gz GMIQVNOHJCWBDU-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001724856669 1181778409 /nfs/dbraw/zinc/77/84/09/1181778409.db2.gz GMIQVNOHJCWBDU-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001724856669 1181778413 /nfs/dbraw/zinc/77/84/13/1181778413.db2.gz GMIQVNOHJCWBDU-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001725238969 1181932537 /nfs/dbraw/zinc/93/25/37/1181932537.db2.gz ISCACLKDKPJNNJ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001725383551 1181982557 /nfs/dbraw/zinc/98/25/57/1181982557.db2.gz BLGTZTWZYGAZET-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001725612529 1182072170 /nfs/dbraw/zinc/07/21/70/1182072170.db2.gz XWJQSYGLVGJBLZ-RHSMWYFYSA-N 2 1 291.439 1.627 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001725733874 1182115196 /nfs/dbraw/zinc/11/51/96/1182115196.db2.gz UZXVAYWAQYYIPJ-CQSZACIVSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001725733874 1182115199 /nfs/dbraw/zinc/11/51/99/1182115199.db2.gz UZXVAYWAQYYIPJ-CQSZACIVSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001725733874 1182115202 /nfs/dbraw/zinc/11/52/02/1182115202.db2.gz UZXVAYWAQYYIPJ-CQSZACIVSA-N 2 1 267.417 1.293 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731241240 1182271339 /nfs/dbraw/zinc/27/13/39/1182271339.db2.gz PJJBAOFFRYUUGK-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001731351274 1182332782 /nfs/dbraw/zinc/33/27/82/1182332782.db2.gz XPURUZPRXSGPJC-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001731492876 1182418986 /nfs/dbraw/zinc/41/89/86/1182418986.db2.gz JCBZQYMYGYJDDJ-BBWFWOEESA-N 2 1 299.418 1.549 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731516774 1182432030 /nfs/dbraw/zinc/43/20/30/1182432030.db2.gz ZEKDTJRRGYCXBO-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001731530206 1182437918 /nfs/dbraw/zinc/43/79/18/1182437918.db2.gz NYOOAIAUVGSWQR-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001731876266 1182646201 /nfs/dbraw/zinc/64/62/01/1182646201.db2.gz GKPUOQBBDNWBSE-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001731876266 1182646204 /nfs/dbraw/zinc/64/62/04/1182646204.db2.gz GKPUOQBBDNWBSE-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001731876266 1182646207 /nfs/dbraw/zinc/64/62/07/1182646207.db2.gz GKPUOQBBDNWBSE-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732081684 1182756540 /nfs/dbraw/zinc/75/65/40/1182756540.db2.gz ADTIGGGWCANCSE-OAHLLOKOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001732203609 1182854494 /nfs/dbraw/zinc/85/44/94/1182854494.db2.gz QCIOFJRXABWGCP-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[NH+]1CCC(CCNC(=O)CC[N@H+](C)CCC)CC1 ZINC001732325376 1182905811 /nfs/dbraw/zinc/90/58/11/1182905811.db2.gz QOUBKZYFKCLQPK-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001732943880 1183194573 /nfs/dbraw/zinc/19/45/73/1183194573.db2.gz RELFUQHOZDXMQK-DOOKAGJSSA-N 2 1 299.418 1.575 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001733296679 1183381566 /nfs/dbraw/zinc/38/15/66/1183381566.db2.gz JGYYZGUMUNQGPX-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001733296679 1183381554 /nfs/dbraw/zinc/38/15/54/1183381554.db2.gz JGYYZGUMUNQGPX-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001733296679 1183381561 /nfs/dbraw/zinc/38/15/61/1183381561.db2.gz JGYYZGUMUNQGPX-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001733675618 1183494564 /nfs/dbraw/zinc/49/45/64/1183494564.db2.gz GVYPHFWVZYGHHO-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877568 1183557465 /nfs/dbraw/zinc/55/74/65/1183557465.db2.gz ZQNJCGQMXWYAFQ-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001733935320 1183574885 /nfs/dbraw/zinc/57/48/85/1183574885.db2.gz FKLUMRLTKWVIFY-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734018372 1183615364 /nfs/dbraw/zinc/61/53/64/1183615364.db2.gz PQWJSILGRPOPGC-HUUCEWRRSA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001734328573 1183734841 /nfs/dbraw/zinc/73/48/41/1183734841.db2.gz YEGYULVUNGECHV-QLFBSQMISA-N 2 1 281.444 1.729 10 30 CDEEMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000925727773 728898511 /nfs/dbraw/zinc/89/85/11/728898511.db2.gz HXGIJISNBCLSNP-XZJROXQQSA-N 2 1 255.365 1.756 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855165436 728993141 /nfs/dbraw/zinc/99/31/41/728993141.db2.gz UZWLONWLXMTJQR-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP CC[NH+]=C(N[C@@H]1C[C@@H]1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261778192 729342499 /nfs/dbraw/zinc/34/24/99/729342499.db2.gz OWRKICXILIHTCC-CDGCEXEKSA-N 2 1 264.417 1.433 10 30 CDEEMP C#CCC1([NH2+]CCC(=O)N2CC[NH+](C)CC2)CCCCC1 ZINC000933264818 729813663 /nfs/dbraw/zinc/81/36/63/729813663.db2.gz FXIXFSXXZJGFOM-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCCC[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000934645646 729888637 /nfs/dbraw/zinc/88/86/37/729888637.db2.gz WOXDCFZDTPPOMP-UHFFFAOYSA-N 2 1 267.417 1.439 10 30 CDEEMP C=CCCC[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000934645646 729888638 /nfs/dbraw/zinc/88/86/38/729888638.db2.gz WOXDCFZDTPPOMP-UHFFFAOYSA-N 2 1 267.417 1.439 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000876707877 730366237 /nfs/dbraw/zinc/36/62/37/730366237.db2.gz DGMZUFVKBRKDTL-QWRGUYRKSA-N 2 1 259.781 1.057 10 30 CDEEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@@H]1C[NH3+] ZINC000923494123 730385993 /nfs/dbraw/zinc/38/59/93/730385993.db2.gz VWLSTVOOFWIYBL-DAXOMENPSA-N 2 1 273.380 1.508 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000876775403 1165914286 /nfs/dbraw/zinc/91/42/86/1165914286.db2.gz AOWZBMXVAMBOEQ-JTQLQIEISA-N 2 1 268.748 1.556 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001565864403 1168189894 /nfs/dbraw/zinc/18/98/94/1168189894.db2.gz RLTXTODIPPKHKT-JYJNAYRXSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001567178059 1168606919 /nfs/dbraw/zinc/60/69/19/1168606919.db2.gz JKVAAVAVRIAFAU-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001567354188 1168698446 /nfs/dbraw/zinc/69/84/46/1168698446.db2.gz UGVVLFKBOWWUGY-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001567354188 1168698451 /nfs/dbraw/zinc/69/84/51/1168698451.db2.gz UGVVLFKBOWWUGY-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001567354188 1168698453 /nfs/dbraw/zinc/69/84/53/1168698453.db2.gz UGVVLFKBOWWUGY-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001266468223 894995981 /nfs/dbraw/zinc/99/59/81/894995981.db2.gz MIBRRRZIUKTVQT-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266468223 894995987 /nfs/dbraw/zinc/99/59/87/894995987.db2.gz MIBRRRZIUKTVQT-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266468223 894995995 /nfs/dbraw/zinc/99/59/95/894995995.db2.gz MIBRRRZIUKTVQT-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266617297 895596400 /nfs/dbraw/zinc/59/64/00/895596400.db2.gz DBGDJSPOENRHBT-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266617297 895596405 /nfs/dbraw/zinc/59/64/05/895596405.db2.gz DBGDJSPOENRHBT-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001266617297 895596411 /nfs/dbraw/zinc/59/64/11/895596411.db2.gz DBGDJSPOENRHBT-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897510 896298728 /nfs/dbraw/zinc/29/87/28/896298728.db2.gz NOYJMWCJZPMXLH-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266964747 896457056 /nfs/dbraw/zinc/45/70/56/896457056.db2.gz NZUYEAOUNKIWQR-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267233360 897246781 /nfs/dbraw/zinc/24/67/81/897246781.db2.gz SMSFQAPRPMYLHZ-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001267243032 897304065 /nfs/dbraw/zinc/30/40/65/897304065.db2.gz HSBDYUCMMVYDFC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001267243032 897304080 /nfs/dbraw/zinc/30/40/80/897304080.db2.gz HSBDYUCMMVYDFC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267243032 897304089 /nfs/dbraw/zinc/30/40/89/897304089.db2.gz HSBDYUCMMVYDFC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001480975976 898419354 /nfs/dbraw/zinc/41/93/54/898419354.db2.gz PHEYMQIKPUOXPR-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001480975976 898419358 /nfs/dbraw/zinc/41/93/58/898419358.db2.gz PHEYMQIKPUOXPR-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001480975976 898419359 /nfs/dbraw/zinc/41/93/59/898419359.db2.gz PHEYMQIKPUOXPR-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001481120742 898929518 /nfs/dbraw/zinc/92/95/18/898929518.db2.gz KCMJZKKRFLPGHP-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001481120742 898929524 /nfs/dbraw/zinc/92/95/24/898929524.db2.gz KCMJZKKRFLPGHP-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001481120742 898929531 /nfs/dbraw/zinc/92/95/31/898929531.db2.gz KCMJZKKRFLPGHP-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481126600 898940601 /nfs/dbraw/zinc/94/06/01/898940601.db2.gz LIQBMOSMBKVLRG-INIZCTEOSA-N 2 1 293.455 1.877 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001267857557 899881140 /nfs/dbraw/zinc/88/11/40/899881140.db2.gz BOADHYDOQDQSIH-WMLDXEAASA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267989056 900205033 /nfs/dbraw/zinc/20/50/33/900205033.db2.gz FAZVQUUSPPSUSV-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268427336 902041083 /nfs/dbraw/zinc/04/10/83/902041083.db2.gz WABLLOZXBXJHFC-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001567776661 1168962686 /nfs/dbraw/zinc/96/26/86/1168962686.db2.gz JACQFZXPJVGGJF-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001498286627 902525085 /nfs/dbraw/zinc/52/50/85/902525085.db2.gz BGMAFADKVZZGBX-SOUVJXGZSA-N 2 1 279.428 1.177 10 30 CDEEMP 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RQVIBZVNTQRWLD-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001493063236 927034882 /nfs/dbraw/zinc/03/48/82/927034882.db2.gz NPQPGMVEKGPNTO-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001490422906 927170399 /nfs/dbraw/zinc/17/03/99/927170399.db2.gz XJHPUQGJWDBKPV-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001490560514 927230591 /nfs/dbraw/zinc/23/05/91/927230591.db2.gz GXMREDFKGJIDFJ-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001568516137 1169342064 /nfs/dbraw/zinc/34/20/64/1169342064.db2.gz UCBODFGRVDBQLA-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001275649779 931928459 /nfs/dbraw/zinc/92/84/59/931928459.db2.gz YCWADSBMQLEUMI-OCCSQVGLSA-N 2 1 290.411 1.376 10 30 CDEEMP 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279.428 1.483 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001264175497 944093882 /nfs/dbraw/zinc/09/38/82/944093882.db2.gz MLCWPNAWBWBHJE-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001265116223 944235492 /nfs/dbraw/zinc/23/54/92/944235492.db2.gz PATGZRVSMBKALJ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001265116223 944235501 /nfs/dbraw/zinc/23/55/01/944235501.db2.gz PATGZRVSMBKALJ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001265116223 944235510 /nfs/dbraw/zinc/23/55/10/944235510.db2.gz PATGZRVSMBKALJ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265397359 944373487 /nfs/dbraw/zinc/37/34/87/944373487.db2.gz XGLIPZVHCHEUGU-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001265397359 944373493 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279.428 1.674 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001502810014 974788771 /nfs/dbraw/zinc/78/87/71/974788771.db2.gz SPTIXTRXSXAJDJ-GASCZTMLSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001377656396 975101409 /nfs/dbraw/zinc/10/14/09/975101409.db2.gz AAHXPWAYBVKERV-CYBMUJFWSA-N 2 1 287.835 1.613 10 30 CDEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001377656396 975101411 /nfs/dbraw/zinc/10/14/11/975101411.db2.gz AAHXPWAYBVKERV-CYBMUJFWSA-N 2 1 287.835 1.613 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001506936896 975266060 /nfs/dbraw/zinc/26/60/60/975266060.db2.gz WUSMSEURWYBVQM-CVEARBPZSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001508156740 975625700 /nfs/dbraw/zinc/62/57/00/975625700.db2.gz ZULJINYRRFDJQV-UHFFFAOYSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001508230140 975646967 /nfs/dbraw/zinc/64/69/67/975646967.db2.gz QUWGDELFEVXVPR-OAHLLOKOSA-N 2 1 279.428 1.507 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001380406745 976410613 /nfs/dbraw/zinc/41/06/13/976410613.db2.gz XANKFKRNOAVRRO-DZGCQCFKSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001571613088 1170495441 /nfs/dbraw/zinc/49/54/41/1170495441.db2.gz JTRQETMVAGFNQW-UHFFFAOYSA-N 2 1 292.427 1.936 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001571613088 1170495446 /nfs/dbraw/zinc/49/54/46/1170495446.db2.gz JTRQETMVAGFNQW-UHFFFAOYSA-N 2 1 292.427 1.936 10 30 CDEEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438187 342906174 /nfs/dbraw/zinc/90/61/74/342906174.db2.gz RECYTKGXHSZRRN-MGPQQGTHSA-N 2 1 280.416 1.196 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ncccc1C#N ZINC000596424270 343311699 /nfs/dbraw/zinc/31/16/99/343311699.db2.gz FICRCMDHTHKQGG-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ncccc1C#N ZINC000596424270 343311700 /nfs/dbraw/zinc/31/17/00/343311700.db2.gz FICRCMDHTHKQGG-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001660321133 1172195171 /nfs/dbraw/zinc/19/51/71/1172195171.db2.gz BNENDBHHBTVLRG-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CN(CCC#N)C(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000131152162 358323004 /nfs/dbraw/zinc/32/30/04/358323004.db2.gz IWXZEIBXWVHCLV-UHFFFAOYSA-N 2 1 292.427 1.309 10 30 CDEEMP CCCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000304781860 370789628 /nfs/dbraw/zinc/78/96/28/370789628.db2.gz GMVQIOJYJBAWOB-UHFFFAOYSA-N 2 1 295.475 1.251 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000649334334 392055550 /nfs/dbraw/zinc/05/55/50/392055550.db2.gz KYIBMXZIXGCXGG-CABCVRRESA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000649334334 392055561 /nfs/dbraw/zinc/05/55/61/392055561.db2.gz KYIBMXZIXGCXGG-CABCVRRESA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000649334334 392055567 /nfs/dbraw/zinc/05/55/67/392055567.db2.gz KYIBMXZIXGCXGG-CABCVRRESA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000649334334 392055576 /nfs/dbraw/zinc/05/55/76/392055576.db2.gz KYIBMXZIXGCXGG-CABCVRRESA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001663537031 1172718566 /nfs/dbraw/zinc/71/85/66/1172718566.db2.gz JDVCKTMXOPPLEG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001663537031 1172718574 /nfs/dbraw/zinc/71/85/74/1172718574.db2.gz JDVCKTMXOPPLEG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001663537031 1172718577 /nfs/dbraw/zinc/71/85/77/1172718577.db2.gz JDVCKTMXOPPLEG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001663633469 1172737836 /nfs/dbraw/zinc/73/78/36/1172737836.db2.gz GHAPDVSZXNBTKM-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001664394777 1172849169 /nfs/dbraw/zinc/84/91/69/1172849169.db2.gz HLKMJSGUSHGKBL-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754961 413437375 /nfs/dbraw/zinc/43/73/75/413437375.db2.gz WLLKTMXWWMSFEN-DVOMOZLQSA-N 2 1 277.412 1.426 10 30 CDEEMP COCC[N@@H+](Cc1sccc1C#CC[NH3+])[C@H](C)COC ZINC000043684205 175093342 /nfs/dbraw/zinc/09/33/42/175093342.db2.gz BOSNXTDTJWOPGV-CYBMUJFWSA-N 2 1 296.436 1.542 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001667007450 1173220661 /nfs/dbraw/zinc/22/06/61/1173220661.db2.gz AZRFNPUSKZOBCP-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001667635256 1173304814 /nfs/dbraw/zinc/30/48/14/1173304814.db2.gz YCJPMUCDEQBZFY-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001667635256 1173304821 /nfs/dbraw/zinc/30/48/21/1173304821.db2.gz YCJPMUCDEQBZFY-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531584 1173781411 /nfs/dbraw/zinc/78/14/11/1173781411.db2.gz XATBSVGWLPZCFG-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001267114475 1159127361 /nfs/dbraw/zinc/12/73/61/1159127361.db2.gz GJOSLJNWNQFNPS-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)NC1CC1 ZINC000262778282 330030895 /nfs/dbraw/zinc/03/08/95/330030895.db2.gz IOOLJJZWNKIZQJ-AWEZNQCLSA-N 2 1 264.417 1.850 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000495089837 332505424 /nfs/dbraw/zinc/50/54/24/332505424.db2.gz GYIYTWMVVKWSCI-CQSZACIVSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001691481765 1159376203 /nfs/dbraw/zinc/37/62/03/1159376203.db2.gz TWABETSMENIQDW-XHSDSOJGSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001700189614 1176790607 /nfs/dbraw/zinc/79/06/07/1176790607.db2.gz PTWCJJAEILZFBD-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700189614 1176790612 /nfs/dbraw/zinc/79/06/12/1176790612.db2.gz PTWCJJAEILZFBD-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700189614 1176790617 /nfs/dbraw/zinc/79/06/17/1176790617.db2.gz PTWCJJAEILZFBD-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001700828652 1177152433 /nfs/dbraw/zinc/15/24/33/1177152433.db2.gz LAYVLQAWCNBFCR-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000677478434 482680028 /nfs/dbraw/zinc/68/00/28/482680028.db2.gz YHWITXORPWGOHY-ULQDDVLXSA-N 2 1 295.471 1.414 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001687475449 1161385053 /nfs/dbraw/zinc/38/50/53/1161385053.db2.gz DJQSKNDTRGKFPD-UHFFFAOYSA-N 2 1 293.455 1.971 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661439 1161442363 /nfs/dbraw/zinc/44/23/63/1161442363.db2.gz TWXPOTZECDIDSH-HZPDHXFCSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001689184440 1175107306 /nfs/dbraw/zinc/10/73/06/1175107306.db2.gz DVNUGMOBJWCHRF-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941221620 613537118 /nfs/dbraw/zinc/53/71/18/613537118.db2.gz YXJGOJLJZIENRC-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221620 613537121 /nfs/dbraw/zinc/53/71/21/613537121.db2.gz YXJGOJLJZIENRC-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221620 613537124 /nfs/dbraw/zinc/53/71/24/613537124.db2.gz YXJGOJLJZIENRC-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000894633152 618998753 /nfs/dbraw/zinc/99/87/53/618998753.db2.gz WVYHZONBPCGVRU-VXGBXAGGSA-N 2 1 273.218 1.705 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C[C@@]1(C)Br ZINC000894633152 618998756 /nfs/dbraw/zinc/99/87/56/618998756.db2.gz WVYHZONBPCGVRU-VXGBXAGGSA-N 2 1 273.218 1.705 10 30 CDEEMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(C#N)ccn1 ZINC000902958878 625695349 /nfs/dbraw/zinc/69/53/49/625695349.db2.gz WIYNLIFBDKAMRW-NSHDSACASA-N 2 1 255.325 1.580 10 30 CDEEMP N#Cc1cccc(C[NH2+]C[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000903957032 626157854 /nfs/dbraw/zinc/15/78/54/626157854.db2.gz PBAVCFZJMXAGSX-CYBMUJFWSA-N 2 1 265.307 1.893 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000907778948 627832285 /nfs/dbraw/zinc/83/22/85/627832285.db2.gz ULQVFQGTXOZHPB-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H]1CC[N@@H+](C)C1 ZINC000912306723 629916775 /nfs/dbraw/zinc/91/67/75/629916775.db2.gz MLLTXBWQCUBHKO-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001691000877 1158524828 /nfs/dbraw/zinc/52/48/28/1158524828.db2.gz VYMDEXYDDCMVIC-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001724798230 1158748129 /nfs/dbraw/zinc/74/81/29/1158748129.db2.gz GFVDSMUBYOMJFI-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001691000877 1158524821 /nfs/dbraw/zinc/52/48/21/1158524821.db2.gz VYMDEXYDDCMVIC-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC001670561794 1158646400 /nfs/dbraw/zinc/64/64/00/1158646400.db2.gz HMCUJIWEWKDHJM-QGZVFWFLSA-N 2 1 299.418 1.236 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC001670561794 1158646403 /nfs/dbraw/zinc/64/64/03/1158646403.db2.gz HMCUJIWEWKDHJM-QGZVFWFLSA-N 2 1 299.418 1.236 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699440878 1159643099 /nfs/dbraw/zinc/64/30/99/1159643099.db2.gz HSOFFROPCRWHFY-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699440878 1159643101 /nfs/dbraw/zinc/64/31/01/1159643101.db2.gz HSOFFROPCRWHFY-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001699440878 1159643097 /nfs/dbraw/zinc/64/30/97/1159643097.db2.gz HSOFFROPCRWHFY-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000878197180 1166158944 /nfs/dbraw/zinc/15/89/44/1166158944.db2.gz CRNRWACZAXCGNF-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CCCCCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000878197180 1166158947 /nfs/dbraw/zinc/15/89/47/1166158947.db2.gz CRNRWACZAXCGNF-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001566714258 1168398371 /nfs/dbraw/zinc/39/83/71/1168398371.db2.gz JGNDZOQRKWVAED-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001567096771 1168560388 /nfs/dbraw/zinc/56/03/88/1168560388.db2.gz QWTIEMDFPQTIHS-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001568400107 1169272025 /nfs/dbraw/zinc/27/20/25/1169272025.db2.gz CWAHLKPTKKOSDF-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001570634648 1170217364 /nfs/dbraw/zinc/21/73/64/1170217364.db2.gz XGJSCBLQMJTVAQ-CHWSQXEVSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001571561285 1170477683 /nfs/dbraw/zinc/47/76/83/1170477683.db2.gz RKMYBFUUCJZRET-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656369689 1171813407 /nfs/dbraw/zinc/81/34/07/1171813407.db2.gz NDQBGOHGSGEWLC-ARFHVFGLSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001672986475 1173815207 /nfs/dbraw/zinc/81/52/07/1173815207.db2.gz CXJQFSKLYHMZEI-WKILWMFISA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001675271208 1174092386 /nfs/dbraw/zinc/09/23/86/1174092386.db2.gz YPUZSWYXLBSZPO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001675271208 1174092393 /nfs/dbraw/zinc/09/23/93/1174092393.db2.gz YPUZSWYXLBSZPO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001675271208 1174092402 /nfs/dbraw/zinc/09/24/02/1174092402.db2.gz YPUZSWYXLBSZPO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001691994634 1175663715 /nfs/dbraw/zinc/66/37/15/1175663715.db2.gz IRRBBNPKFLCYTI-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP 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C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713124560 1178383420 /nfs/dbraw/zinc/38/34/20/1178383420.db2.gz IHSWHKJSQITIBJ-GJZGRUSLSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713551160 1178640972 /nfs/dbraw/zinc/64/09/72/1178640972.db2.gz CLAULKLYOKXCKP-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713551160 1178640975 /nfs/dbraw/zinc/64/09/75/1178640975.db2.gz CLAULKLYOKXCKP-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001713551160 1178640978 /nfs/dbraw/zinc/64/09/78/1178640978.db2.gz CLAULKLYOKXCKP-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001714272354 1179057975 /nfs/dbraw/zinc/05/79/75/1179057975.db2.gz HYCOLEWDYMISDL-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714277577 1179060924 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VCUZNBAXFWIKSB-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715530764 1179703761 /nfs/dbraw/zinc/70/37/61/1179703761.db2.gz GWZINBFNFWHUEZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715530764 1179703768 /nfs/dbraw/zinc/70/37/68/1179703768.db2.gz GWZINBFNFWHUEZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001715530764 1179703777 /nfs/dbraw/zinc/70/37/77/1179703777.db2.gz GWZINBFNFWHUEZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001715544070 1179710168 /nfs/dbraw/zinc/71/01/68/1179710168.db2.gz IXFQCCHSUGPNSD-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(=C)C)CC1 ZINC001716509112 1180261327 /nfs/dbraw/zinc/26/13/27/1180261327.db2.gz WMGKDLPCFJPCCR-OAHLLOKOSA-N 2 1 291.439 1.344 10 30 CDEEMP 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C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001486129910 920733464 /nfs/dbraw/zinc/73/34/64/920733464.db2.gz RYVNYSUNXQEDNT-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001486437562 921015924 /nfs/dbraw/zinc/01/59/24/921015924.db2.gz APHSFBVABKWAOG-CQSZACIVSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001490270750 927068087 /nfs/dbraw/zinc/06/80/87/927068087.db2.gz GZHBQCNEEVOQBN-ZDUSSCGKSA-N 2 1 255.406 1.197 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000928079496 933117352 /nfs/dbraw/zinc/11/73/52/933117352.db2.gz ZCHACCSENWMPBL-ZIAGYGMSSA-N 2 1 297.468 1.190 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283556031 942932176 /nfs/dbraw/zinc/93/21/76/942932176.db2.gz YGSSLHCAZIRBLP-GOEBONIOSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001277836405 943762907 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C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001265676273 944466764 /nfs/dbraw/zinc/46/67/64/944466764.db2.gz ZEMCMHBXVNGXQL-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704841 944477216 /nfs/dbraw/zinc/47/72/16/944477216.db2.gz AQSPZYUZFWZTPR-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC001262568268 946719864 /nfs/dbraw/zinc/71/98/64/946719864.db2.gz QFNZKKHOMYJOLN-UHFFFAOYSA-N 2 1 264.413 1.759 10 30 CDEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001479627131 971346322 /nfs/dbraw/zinc/34/63/22/971346322.db2.gz RSKAIISIMWBHOL-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001479696036 971369031 /nfs/dbraw/zinc/36/90/31/971369031.db2.gz SDXCVASBLYBPDE-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C(=O)Cc1cnc[nH]1)C(C)C ZINC001278922111 948257120 /nfs/dbraw/zinc/25/71/20/948257120.db2.gz IKCPCCWKAXTHFC-UHFFFAOYSA-N 2 1 278.400 1.697 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151521 1169694320 /nfs/dbraw/zinc/69/43/20/1169694320.db2.gz JHGGNYASGPQHRG-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC)C1 ZINC001491811598 955476839 /nfs/dbraw/zinc/47/68/39/955476839.db2.gz GLZCIYSGHXUXQA-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC)C1 ZINC001491811598 955476845 /nfs/dbraw/zinc/47/68/45/955476845.db2.gz GLZCIYSGHXUXQA-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001421752093 955524146 /nfs/dbraw/zinc/52/41/46/955524146.db2.gz FHFOIHSMCJPXIY-YPMHNXCESA-N 2 1 287.835 1.423 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001316875394 956866027 /nfs/dbraw/zinc/86/60/27/956866027.db2.gz AAOOOWLYCSYHGR-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001316947065 957145684 /nfs/dbraw/zinc/14/56/84/957145684.db2.gz GYHZACGCKSBSAJ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316947065 957145689 /nfs/dbraw/zinc/14/56/89/957145689.db2.gz GYHZACGCKSBSAJ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001316947065 957145695 /nfs/dbraw/zinc/14/56/95/957145695.db2.gz GYHZACGCKSBSAJ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317414957 957461022 /nfs/dbraw/zinc/46/10/22/957461022.db2.gz GEXZYSSSBCGCCW-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317423051 957465455 /nfs/dbraw/zinc/46/54/55/957465455.db2.gz JBFBHKFJHFNNOQ-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCCC ZINC001317479211 957502865 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C=CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317812463 957676842 /nfs/dbraw/zinc/67/68/42/957676842.db2.gz ZHQUUKGZTWRXEA-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317862635 957699584 /nfs/dbraw/zinc/69/95/84/957699584.db2.gz INNIMGKTSIFDJO-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317862635 957699594 /nfs/dbraw/zinc/69/95/94/957699594.db2.gz INNIMGKTSIFDJO-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001318224828 957978881 /nfs/dbraw/zinc/97/88/81/957978881.db2.gz QDXLLSSHZPERNG-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001318224828 957978889 /nfs/dbraw/zinc/97/88/89/957978889.db2.gz QDXLLSSHZPERNG-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001318224828 957978894 /nfs/dbraw/zinc/97/88/94/957978894.db2.gz QDXLLSSHZPERNG-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001318292848 958022806 /nfs/dbraw/zinc/02/28/06/958022806.db2.gz WJIDDITUIUPGRX-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318292848 958022819 /nfs/dbraw/zinc/02/28/19/958022819.db2.gz WJIDDITUIUPGRX-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001318292848 958022838 /nfs/dbraw/zinc/02/28/38/958022838.db2.gz WJIDDITUIUPGRX-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321120045 959603624 /nfs/dbraw/zinc/60/36/24/959603624.db2.gz DLHPJNBSTRFNOS-YVACAVLKSA-N 2 1 279.428 1.699 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495395213 972486669 /nfs/dbraw/zinc/48/66/69/972486669.db2.gz DESNWWGFUDFFMI-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495396973 972486789 /nfs/dbraw/zinc/48/67/89/972486789.db2.gz OZYBHGCAKUKNHG-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001495485623 972517026 /nfs/dbraw/zinc/51/70/26/972517026.db2.gz QRTHSUNKLKLAQR-KRWDZBQOSA-N 2 1 299.418 1.510 10 30 CDEEMP C=CC[C@]1(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CCC[NH2+]1 ZINC001341472745 963429662 /nfs/dbraw/zinc/42/96/62/963429662.db2.gz QYAIHFUJRDLMGF-VNQPRFMTSA-N 2 1 277.412 1.095 10 30 CDEEMP C=CC[C@@]1(C(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)CCC[NH2+]1 ZINC001341472744 963429683 /nfs/dbraw/zinc/42/96/83/963429683.db2.gz QYAIHFUJRDLMGF-KBMXLJTQSA-N 2 1 277.412 1.095 10 30 CDEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001439679632 963837491 /nfs/dbraw/zinc/83/74/91/963837491.db2.gz WTTZLGQSGLJSRI-UHFFFAOYSA-N 2 1 273.808 1.318 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001569381267 1169831888 /nfs/dbraw/zinc/83/18/88/1169831888.db2.gz LOBCLDAPTLGLIW-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C2CCCC2)[C@H](C)C1 ZINC001347814385 965710068 /nfs/dbraw/zinc/71/00/68/965710068.db2.gz VAIVPKKZGTXWLQ-OAHLLOKOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001569577540 1169929651 /nfs/dbraw/zinc/92/96/51/1169929651.db2.gz WHWBUNYSRMUWMF-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499131991 974192389 /nfs/dbraw/zinc/19/23/89/974192389.db2.gz NKIOUESENFJRKB-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499131991 974192391 /nfs/dbraw/zinc/19/23/91/974192391.db2.gz NKIOUESENFJRKB-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001375212395 974293659 /nfs/dbraw/zinc/29/36/59/974293659.db2.gz DYFGFIBIGJBNPI-OLZOCXBDSA-N 2 1 285.819 1.318 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001500292432 974415734 /nfs/dbraw/zinc/41/57/34/974415734.db2.gz JGEKHRQPCFUELK-INIZCTEOSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501091132 974531269 /nfs/dbraw/zinc/53/12/69/974531269.db2.gz LFUSTKKKDXOXBS-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505455497 974885619 /nfs/dbraw/zinc/88/56/19/974885619.db2.gz BQSZKYYBZVRAPE-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001406076915 976006215 /nfs/dbraw/zinc/00/62/15/976006215.db2.gz VOOZZZGTNIFQGE-CHWSQXEVSA-N 2 1 287.835 1.421 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001390364372 976262619 /nfs/dbraw/zinc/26/26/19/976262619.db2.gz JDMFGHMYIGGBDP-FRRDWIJNSA-N 2 1 287.835 1.564 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816501 977650696 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267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570747238 1170266749 /nfs/dbraw/zinc/26/67/49/1170266749.db2.gz DLVHMTDUAMOYQD-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570747238 1170266756 /nfs/dbraw/zinc/26/67/56/1170266756.db2.gz DLVHMTDUAMOYQD-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000592490278 342696114 /nfs/dbraw/zinc/69/61/14/342696114.db2.gz AENGSVXRAYHZPI-AWEZNQCLSA-N 2 1 270.380 1.775 10 30 CDEEMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436717 342899875 /nfs/dbraw/zinc/89/98/75/342899875.db2.gz FWIUEIDHVPWVEJ-KFWWJZLASA-N 2 1 294.443 1.634 10 30 CDEEMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCCCC#N)C2)CC1 ZINC000594287493 342887552 /nfs/dbraw/zinc/88/75/52/342887552.db2.gz DXSYCQLFQWMIIK-AWEZNQCLSA-N 2 1 292.427 1.355 10 30 CDEEMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438584 342906366 /nfs/dbraw/zinc/90/63/66/342906366.db2.gz OMXZJTOAPNOELL-KGLIPLIRSA-N 2 1 280.416 1.388 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001662857460 1172605374 /nfs/dbraw/zinc/60/53/74/1172605374.db2.gz ZXBFPCMEQBCCJE-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001662857460 1172605376 /nfs/dbraw/zinc/60/53/76/1172605376.db2.gz ZXBFPCMEQBCCJE-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001662857460 1172605381 /nfs/dbraw/zinc/60/53/81/1172605381.db2.gz ZXBFPCMEQBCCJE-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC)CCC[NH2+]1 ZINC000662661192 413265088 /nfs/dbraw/zinc/26/50/88/413265088.db2.gz MIUXJPZPNHPCCE-HIFRSBDPSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@H+](C)C(C)C ZINC000662090110 414508515 /nfs/dbraw/zinc/50/85/15/414508515.db2.gz JOBBSBCNHREZTH-QLFBSQMISA-N 2 1 252.402 1.871 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C[NH+](C)C(C)C ZINC000662090110 414508516 /nfs/dbraw/zinc/50/85/16/414508516.db2.gz JOBBSBCNHREZTH-QLFBSQMISA-N 2 1 252.402 1.871 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C[NH+](C)C(C)C ZINC000662090110 414508519 /nfs/dbraw/zinc/50/85/19/414508519.db2.gz JOBBSBCNHREZTH-QLFBSQMISA-N 2 1 252.402 1.871 10 30 CDEEMP CCNC(=O)C[N@H+](CC)Cc1ccc(C#CC[NH3+])s1 ZINC000043684068 175092343 /nfs/dbraw/zinc/09/23/43/175092343.db2.gz ADMMCDLKNZDUOI-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP CCNC(=O)C[N@@H+](CC)Cc1ccc(C#CC[NH3+])s1 ZINC000043684068 175092344 /nfs/dbraw/zinc/09/23/44/175092344.db2.gz ADMMCDLKNZDUOI-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000043684275 175092936 /nfs/dbraw/zinc/09/29/36/175092936.db2.gz KFKWQVLIGKTFBS-GJZGRUSLSA-N 2 1 276.405 1.812 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)s1 ZINC000043684275 175092938 /nfs/dbraw/zinc/09/29/38/175092938.db2.gz KFKWQVLIGKTFBS-GJZGRUSLSA-N 2 1 276.405 1.812 10 30 CDEEMP COCC[N@@H+](Cc1cc(C#CC[NH3+])cs1)[C@H](C)COC ZINC000043689111 175095623 /nfs/dbraw/zinc/09/56/23/175095623.db2.gz MKSWQQXCVRDWAG-CYBMUJFWSA-N 2 1 296.436 1.542 10 30 CDEEMP CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)[C@H](C)COC ZINC000043689130 175096196 /nfs/dbraw/zinc/09/61/96/175096196.db2.gz AIBFWEHUAGAFIN-GFCCVEGCSA-N 2 1 266.410 1.915 10 30 CDEEMP C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529913 175194170 /nfs/dbraw/zinc/19/41/70/175194170.db2.gz QASLYKNEYCGXKY-CYBMUJFWSA-N 2 1 253.390 1.082 10 30 CDEEMP C=C(C)CN(CC)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000044529913 175194171 /nfs/dbraw/zinc/19/41/71/175194171.db2.gz QASLYKNEYCGXKY-CYBMUJFWSA-N 2 1 253.390 1.082 10 30 CDEEMP C[NH+](C)C1CC[NH+](CCCC[C@@](C)(N)C#N)CC1 ZINC000045311132 175356124 /nfs/dbraw/zinc/35/61/24/175356124.db2.gz NRRWTICRNRMKLD-CQSZACIVSA-N 2 1 252.406 1.424 10 30 CDEEMP C=C(C)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000109754595 262256293 /nfs/dbraw/zinc/25/62/93/262256293.db2.gz FZEZMCMQYCJTOT-HNNXBMFYSA-N 2 1 251.418 1.664 10 30 CDEEMP C=C(C)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000109754595 262256294 /nfs/dbraw/zinc/25/62/94/262256294.db2.gz FZEZMCMQYCJTOT-HNNXBMFYSA-N 2 1 251.418 1.664 10 30 CDEEMP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415048138 263258273 /nfs/dbraw/zinc/25/82/73/263258273.db2.gz WUVDVJFLAHCRCF-INIZCTEOSA-N 2 1 276.380 1.720 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748698 424400963 /nfs/dbraw/zinc/40/09/63/424400963.db2.gz ZMYQVKZSMKQBBO-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001667520045 1173279807 /nfs/dbraw/zinc/27/98/07/1173279807.db2.gz SRPUGUNEOAKZCZ-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001667520045 1173279816 /nfs/dbraw/zinc/27/98/16/1173279816.db2.gz SRPUGUNEOAKZCZ-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001668178980 1173379491 /nfs/dbraw/zinc/37/94/91/1173379491.db2.gz PXKJEQFBWYMDJW-CVEARBPZSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001692263943 1159229349 /nfs/dbraw/zinc/22/93/49/1159229349.db2.gz VBSLROMKBQTOHN-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001692263943 1159229353 /nfs/dbraw/zinc/22/93/53/1159229353.db2.gz VBSLROMKBQTOHN-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001692263943 1159229355 /nfs/dbraw/zinc/22/93/55/1159229355.db2.gz VBSLROMKBQTOHN-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001267386493 1159358433 /nfs/dbraw/zinc/35/84/33/1159358433.db2.gz JKFADAMKMYUQID-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@H](C)CC ZINC001267386493 1159358441 /nfs/dbraw/zinc/35/84/41/1159358441.db2.gz JKFADAMKMYUQID-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP CC[N@@H+](CCOC)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609722 521133571 /nfs/dbraw/zinc/13/35/71/521133571.db2.gz DGZGQWJHGVDOQO-UHFFFAOYSA-N 2 1 264.344 1.604 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001725060253 1181833657 /nfs/dbraw/zinc/83/36/57/1181833657.db2.gz SPNDDGLZQJOAFX-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001725060253 1181833662 /nfs/dbraw/zinc/83/36/62/1181833662.db2.gz SPNDDGLZQJOAFX-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731239580 1182269795 /nfs/dbraw/zinc/26/97/95/1182269795.db2.gz BKCRUBFMGQYJBQ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731239580 1182269798 /nfs/dbraw/zinc/26/97/98/1182269798.db2.gz BKCRUBFMGQYJBQ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001731239580 1182269803 /nfs/dbraw/zinc/26/98/03/1182269803.db2.gz BKCRUBFMGQYJBQ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732694282 1183089708 /nfs/dbraw/zinc/08/97/08/1183089708.db2.gz HEKPFXVACDLKCH-RBSFLKMASA-N 2 1 281.444 1.777 10 30 CDEEMP COCC[N@@H+](Cc1cccc(C#CC[NH3+])c1)C1CC1 ZINC000049609707 523754096 /nfs/dbraw/zinc/75/40/96/523754096.db2.gz XYSDZOJBDHNHQO-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP COc1ccc(C[N@H+]2CCC[C@@H]2C)cc1C#CC[NH3+] ZINC000049608287 524027872 /nfs/dbraw/zinc/02/78/72/524027872.db2.gz UZDHCZIAPJNFBV-ZDUSSCGKSA-N 2 1 258.365 1.990 10 30 CDEEMP C[C@@H]1COCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609135 525128224 /nfs/dbraw/zinc/12/82/24/525128224.db2.gz PEBWNTNFNCCXGJ-CQSZACIVSA-N 2 1 274.364 1.096 10 30 CDEEMP C[C@@H]1COCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609135 525128228 /nfs/dbraw/zinc/12/82/28/525128228.db2.gz PEBWNTNFNCCXGJ-CQSZACIVSA-N 2 1 274.364 1.096 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001688893956 1175057316 /nfs/dbraw/zinc/05/73/16/1175057316.db2.gz OBIFEMIPXGOGQM-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001688903240 1175062457 /nfs/dbraw/zinc/06/24/57/1175062457.db2.gz AHAGRPVGCKRZFV-OWCLPIDISA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221177 613742617 /nfs/dbraw/zinc/74/26/17/613742617.db2.gz MJTYFPUHQQDIOC-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C[C@@H]1C[NH2+]C[C@H]1C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000903475836 626004969 /nfs/dbraw/zinc/00/49/69/626004969.db2.gz FJMFOORITVCSSQ-CJNGLKHVSA-N 2 1 257.381 1.888 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000913759228 630745592 /nfs/dbraw/zinc/74/55/92/630745592.db2.gz KKLPPAGKARRRGT-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691087711 1158902013 /nfs/dbraw/zinc/90/20/13/1158902013.db2.gz ZZOADCJODBDDLV-ZNMIVQPWSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001700976228 1160196122 /nfs/dbraw/zinc/19/61/22/1160196122.db2.gz LHQHCAUOEPOEJY-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001700976228 1160196126 /nfs/dbraw/zinc/19/61/26/1160196126.db2.gz LHQHCAUOEPOEJY-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001700976228 1160196130 /nfs/dbraw/zinc/19/61/30/1160196130.db2.gz LHQHCAUOEPOEJY-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001483345976 1160908938 /nfs/dbraw/zinc/90/89/38/1160908938.db2.gz RLIXWTIKPXVWAI-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001483345976 1160908942 /nfs/dbraw/zinc/90/89/42/1160908942.db2.gz RLIXWTIKPXVWAI-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001483345976 1160908935 /nfs/dbraw/zinc/90/89/35/1160908935.db2.gz RLIXWTIKPXVWAI-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(C#N)ccc1N(C)C ZINC000865439511 1164647663 /nfs/dbraw/zinc/64/76/63/1164647663.db2.gz WSLJIOFGCDHHSH-UHFFFAOYSA-N 2 1 283.379 1.919 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001637962984 1166806952 /nfs/dbraw/zinc/80/69/52/1166806952.db2.gz LORTXTYXPKLNDK-UHFFFAOYSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001566962837 1168481749 /nfs/dbraw/zinc/48/17/49/1168481749.db2.gz MFLRTKBSSFUTIB-LSDHHAIUSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001566962837 1168481753 /nfs/dbraw/zinc/48/17/53/1168481753.db2.gz MFLRTKBSSFUTIB-LSDHHAIUSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567203291 1168615673 /nfs/dbraw/zinc/61/56/73/1168615673.db2.gz VXXLCWBBAIQBPF-HNNXBMFYSA-N 2 1 289.423 1.028 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001567666269 1168909272 /nfs/dbraw/zinc/90/92/72/1168909272.db2.gz WMOMOTRKJGTWIV-MRXNPFEDSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001567979026 1169106385 /nfs/dbraw/zinc/10/63/85/1169106385.db2.gz FOCKZWMFVOOVTO-ZDUSSCGKSA-N 2 1 276.384 1.124 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001571363081 1170385977 /nfs/dbraw/zinc/38/59/77/1170385977.db2.gz WAIIDYPQBFVRSF-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[N@H+](CCOC)CC1CC[NH+](CC)CC1 ZINC001659725550 1172134347 /nfs/dbraw/zinc/13/43/47/1172134347.db2.gz UKUFKGPYELDKLU-UHFFFAOYSA-N 2 1 252.402 1.690 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001660699351 1172259081 /nfs/dbraw/zinc/25/90/81/1172259081.db2.gz AUQNPLGRPXDXKV-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001660699351 1172259088 /nfs/dbraw/zinc/25/90/88/1172259088.db2.gz AUQNPLGRPXDXKV-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001660699351 1172259095 /nfs/dbraw/zinc/25/90/95/1172259095.db2.gz AUQNPLGRPXDXKV-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662716823 1172585157 /nfs/dbraw/zinc/58/51/57/1172585157.db2.gz DAYYWKUHUFVATI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001675360205 1174107117 /nfs/dbraw/zinc/10/71/17/1174107117.db2.gz USOYJROJIOPCAG-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698547158 1175830783 /nfs/dbraw/zinc/83/07/83/1175830783.db2.gz UCWCBAUAFMAIHJ-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667843 1175891357 /nfs/dbraw/zinc/89/13/57/1175891357.db2.gz MHTISAQQYZNFSH-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001698767371 1175925179 /nfs/dbraw/zinc/92/51/79/1175925179.db2.gz UNDZRJBFHLOEBZ-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001698935094 1175988404 /nfs/dbraw/zinc/98/84/04/1175988404.db2.gz MTFLZJLDTAGGMS-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001699642994 1176541190 /nfs/dbraw/zinc/54/11/90/1176541190.db2.gz SENFYDGHKCSVAI-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001699642994 1176541196 /nfs/dbraw/zinc/54/11/96/1176541196.db2.gz SENFYDGHKCSVAI-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001699642994 1176541178 /nfs/dbraw/zinc/54/11/78/1176541178.db2.gz SENFYDGHKCSVAI-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001699642994 1176541184 /nfs/dbraw/zinc/54/11/84/1176541184.db2.gz SENFYDGHKCSVAI-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001699723117 1176589109 /nfs/dbraw/zinc/58/91/09/1176589109.db2.gz RCQYSGQTLUSXGL-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001699723117 1176589114 /nfs/dbraw/zinc/58/91/14/1176589114.db2.gz RCQYSGQTLUSXGL-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001699739639 1176598749 /nfs/dbraw/zinc/59/87/49/1176598749.db2.gz UHUARPURVRDFOG-DZGCQCFKSA-N 2 1 288.395 1.184 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001699759815 1176610773 /nfs/dbraw/zinc/61/07/73/1176610773.db2.gz KLIATWBEWOOAGC-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001699773652 1176617276 /nfs/dbraw/zinc/61/72/76/1176617276.db2.gz AMSFZFUMAZXCHD-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001700106427 1176748184 /nfs/dbraw/zinc/74/81/84/1176748184.db2.gz YIIVYKWRWPVWFY-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CCN1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001723432062 1178123176 /nfs/dbraw/zinc/12/31/76/1178123176.db2.gz BSDMOFQWXXNVHK-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001723432062 1178123182 /nfs/dbraw/zinc/12/31/82/1178123182.db2.gz BSDMOFQWXXNVHK-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001723432062 1178123187 /nfs/dbraw/zinc/12/31/87/1178123187.db2.gz BSDMOFQWXXNVHK-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C 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C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001496054464 972777494 /nfs/dbraw/zinc/77/74/94/972777494.db2.gz GYTZMXLCHHHGIN-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001496057234 972779837 /nfs/dbraw/zinc/77/98/37/972779837.db2.gz XGSBYFGBHCQZKJ-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001569652957 1169953243 /nfs/dbraw/zinc/95/32/43/1169953243.db2.gz CBKZVBZUDILLLD-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652957 1169953248 /nfs/dbraw/zinc/95/32/48/1169953248.db2.gz CBKZVBZUDILLLD-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652957 1169953252 /nfs/dbraw/zinc/95/32/52/1169953252.db2.gz CBKZVBZUDILLLD-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)CC[N@H+](C)CCC ZINC001496824714 973111295 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ZINC000068616316 519735460 /nfs/dbraw/zinc/73/54/60/519735460.db2.gz JLHFNHVMLRTBMY-BZUAXINKSA-N 2 1 280.460 1.929 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001700752695 1160875997 /nfs/dbraw/zinc/87/59/97/1160875997.db2.gz PTAXOOOYIJUCJE-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001716221036 1180108931 /nfs/dbraw/zinc/10/89/31/1180108931.db2.gz ZOQZKGPSFQUJCH-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001732188122 1182840667 /nfs/dbraw/zinc/84/06/67/1182840667.db2.gz XJJZKIVRWIWZIV-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CC[NH3+])C[C@H]1CCCO1 ZINC000049609674 523358980 /nfs/dbraw/zinc/35/89/80/523358980.db2.gz VQARENQAIGPMRZ-MRXNPFEDSA-N 2 1 258.365 1.608 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001690040339 1175356612 /nfs/dbraw/zinc/35/66/12/1175356612.db2.gz UYDLJMNZGGCMHL-AWEZNQCLSA-N 2 1 279.428 1.627 10 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622804011 /nfs/dbraw/zinc/80/40/11/622804011.db2.gz KBFBJFQQUCKMQF-CYBMUJFWSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000901218910 624017638 /nfs/dbraw/zinc/01/76/38/624017638.db2.gz OZNGVJNULJKELN-INIZCTEOSA-N 2 1 287.407 1.797 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000901218910 624017641 /nfs/dbraw/zinc/01/76/41/624017641.db2.gz OZNGVJNULJKELN-INIZCTEOSA-N 2 1 287.407 1.797 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769355 626085815 /nfs/dbraw/zinc/08/58/15/626085815.db2.gz DKASZMSUALKBMB-RBSFLKMASA-N 2 1 250.386 1.653 10 30 CDEEMP N#Cc1cccc(C[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000903957033 626157457 /nfs/dbraw/zinc/15/74/57/626157457.db2.gz PBAVCFZJMXAGSX-ZDUSSCGKSA-N 2 1 265.307 1.893 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266859053 1158913076 /nfs/dbraw/zinc/91/30/76/1158913076.db2.gz WRFPEFORTGFGPL-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001266691189 1158766650 /nfs/dbraw/zinc/76/66/50/1158766650.db2.gz YHAHTWDTVQQHMC-JONQDZQNSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001266691189 1158766654 /nfs/dbraw/zinc/76/66/54/1158766654.db2.gz YHAHTWDTVQQHMC-JONQDZQNSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105332 1158910703 /nfs/dbraw/zinc/91/07/03/1158910703.db2.gz ACYVWWOTPXXAGE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001700544926 1160696951 /nfs/dbraw/zinc/69/69/51/1160696951.db2.gz DAJRQYQGUYBQOA-ZIAGYGMSSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661665 1161442026 /nfs/dbraw/zinc/44/20/26/1161442026.db2.gz WNAANUPJCQOMLQ-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661665 1161442027 /nfs/dbraw/zinc/44/20/27/1161442027.db2.gz WNAANUPJCQOMLQ-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001568499864 1169336822 /nfs/dbraw/zinc/33/68/22/1169336822.db2.gz VBPKZUQNQWPGJK-UHFFFAOYSA-N 2 1 290.411 1.385 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001569030143 1169604209 /nfs/dbraw/zinc/60/42/09/1169604209.db2.gz FGNXNSYTEDDTCW-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001570118739 1170085934 /nfs/dbraw/zinc/08/59/34/1170085934.db2.gz HAUMDTYNVLJZLL-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001571536274 1170469096 /nfs/dbraw/zinc/46/90/96/1170469096.db2.gz MUQOZNCFQPEDRI-UONOGXRCSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001657079853 1171926005 /nfs/dbraw/zinc/92/60/05/1171926005.db2.gz SEWPSIXVJNMJOT-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661227364 1172357326 /nfs/dbraw/zinc/35/73/26/1172357326.db2.gz WFLROUAHZBARSZ-CVEARBPZSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001662871956 1172606218 /nfs/dbraw/zinc/60/62/18/1172606218.db2.gz BLQUCDBAQSWSMS-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001662871956 1172606221 /nfs/dbraw/zinc/60/62/21/1172606221.db2.gz BLQUCDBAQSWSMS-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001666619620 1173162562 /nfs/dbraw/zinc/16/25/62/1173162562.db2.gz HFHNPHKWZJDRPQ-CQSZACIVSA-N 2 1 283.460 1.882 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001667111743 1173234915 /nfs/dbraw/zinc/23/49/15/1173234915.db2.gz GHDOYMNATTZKIQ-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001672897561 1173807351 /nfs/dbraw/zinc/80/73/51/1173807351.db2.gz SJJQQKPHLSWJRE-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001690650768 1175536131 /nfs/dbraw/zinc/53/61/31/1175536131.db2.gz RKWDXGDSNVHHMI-DZGCQCFKSA-N 2 1 273.380 1.017 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001698620644 1175875272 /nfs/dbraw/zinc/87/52/72/1175875272.db2.gz HHTSKXLYTNACHY-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001698812243 1175941969 /nfs/dbraw/zinc/94/19/69/1175941969.db2.gz XPBBQTXOYWREIV-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001699004784 1176036008 /nfs/dbraw/zinc/03/60/08/1176036008.db2.gz ZOJCXZFHFHBMOF-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001699287103 1176197579 /nfs/dbraw/zinc/19/75/79/1176197579.db2.gz YWVINBGXZBGTGQ-SNAWJCMRSA-N 2 1 276.384 1.420 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699440561 1176405244 /nfs/dbraw/zinc/40/52/44/1176405244.db2.gz FCOYJKAAOLFVMN-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001699440561 1176405246 /nfs/dbraw/zinc/40/52/46/1176405246.db2.gz FCOYJKAAOLFVMN-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001699440561 1176405249 /nfs/dbraw/zinc/40/52/49/1176405249.db2.gz FCOYJKAAOLFVMN-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699508237 1176453913 /nfs/dbraw/zinc/45/39/13/1176453913.db2.gz ONVUHOBWIGWFTB-GDBMZVCRSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)CC1 ZINC001700110795 1176749262 /nfs/dbraw/zinc/74/92/62/1176749262.db2.gz OUYWRJRQFAGRBG-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001700155820 1176775678 /nfs/dbraw/zinc/77/56/78/1176775678.db2.gz OVRFVFOXIJMKNY-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001700224440 1176805739 /nfs/dbraw/zinc/80/57/39/1176805739.db2.gz GCBYNJLUSLNFDM-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001700341216 1176860023 /nfs/dbraw/zinc/86/00/23/1176860023.db2.gz KFWNWIBJGJIVPM-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP CC#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700531288 1176999906 /nfs/dbraw/zinc/99/99/06/1176999906.db2.gz LKDNEJVUWYRYRA-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001700574960 1177023254 /nfs/dbraw/zinc/02/32/54/1177023254.db2.gz CRIAKLDHYUKYOA-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001700574960 1177023266 /nfs/dbraw/zinc/02/32/66/1177023266.db2.gz CRIAKLDHYUKYOA-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001700997125 1177231419 /nfs/dbraw/zinc/23/14/19/1177231419.db2.gz AJDQHHVIEOBXSU-UONOGXRCSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713224382 1178440823 /nfs/dbraw/zinc/44/08/23/1178440823.db2.gz UKUUTKVDUUDVEZ-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001713224382 1178440826 /nfs/dbraw/zinc/44/08/26/1178440826.db2.gz UKUUTKVDUUDVEZ-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713755996 1178739629 /nfs/dbraw/zinc/73/96/29/1178739629.db2.gz LVAQKTCIPZXRQX-HNNXBMFYSA-N 2 1 293.455 1.685 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001714443427 1179142296 /nfs/dbraw/zinc/14/22/96/1179142296.db2.gz ZXBFPCMEQBCCJE-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001714443427 1179142299 /nfs/dbraw/zinc/14/22/99/1179142299.db2.gz ZXBFPCMEQBCCJE-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001714443427 1179142302 /nfs/dbraw/zinc/14/23/02/1179142302.db2.gz ZXBFPCMEQBCCJE-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714444023 1179142334 /nfs/dbraw/zinc/14/23/34/1179142334.db2.gz KHFKQHFAQBGNPH-GJZGRUSLSA-N 2 1 281.444 1.636 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001714444025 1179142624 /nfs/dbraw/zinc/14/26/24/1179142624.db2.gz KHFKQHFAQBGNPH-LSDHHAIUSA-N 2 1 281.444 1.636 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714509262 1179176795 /nfs/dbraw/zinc/17/67/95/1179176795.db2.gz FUUJLJKSNABSLU-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001714584968 1179242899 /nfs/dbraw/zinc/24/28/99/1179242899.db2.gz JUZPDGOOQLAIRH-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714584968 1179242907 /nfs/dbraw/zinc/24/29/07/1179242907.db2.gz JUZPDGOOQLAIRH-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001714584968 1179242913 /nfs/dbraw/zinc/24/29/13/1179242913.db2.gz JUZPDGOOQLAIRH-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001714620807 1179272644 /nfs/dbraw/zinc/27/26/44/1179272644.db2.gz VZJQZELXEMQZEH-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001714620807 1179272651 /nfs/dbraw/zinc/27/26/51/1179272651.db2.gz VZJQZELXEMQZEH-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001714620807 1179272654 /nfs/dbraw/zinc/27/26/54/1179272654.db2.gz VZJQZELXEMQZEH-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001714646952 1179294085 /nfs/dbraw/zinc/29/40/85/1179294085.db2.gz QLWAJGYMEKKCQV-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714652635 1179298149 /nfs/dbraw/zinc/29/81/49/1179298149.db2.gz CHOFVWHHDHHCMF-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714652635 1179298154 /nfs/dbraw/zinc/29/81/54/1179298154.db2.gz CHOFVWHHDHHCMF-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714652635 1179298162 /nfs/dbraw/zinc/29/81/62/1179298162.db2.gz CHOFVWHHDHHCMF-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001714849308 1179420099 /nfs/dbraw/zinc/42/00/99/1179420099.db2.gz WFPKOFIJRSEMGD-KRWDZBQOSA-N 2 1 299.418 1.551 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714868461 1179428227 /nfs/dbraw/zinc/42/82/27/1179428227.db2.gz WAPSIGJOBKWNJF-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714868461 1179428232 /nfs/dbraw/zinc/42/82/32/1179428232.db2.gz WAPSIGJOBKWNJF-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714868461 1179428234 /nfs/dbraw/zinc/42/82/34/1179428234.db2.gz WAPSIGJOBKWNJF-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714905914 1179446712 /nfs/dbraw/zinc/44/67/12/1179446712.db2.gz BCFBYRDZARICRJ-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714905914 1179446716 /nfs/dbraw/zinc/44/67/16/1179446716.db2.gz BCFBYRDZARICRJ-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714905914 1179446721 /nfs/dbraw/zinc/44/67/21/1179446721.db2.gz BCFBYRDZARICRJ-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001714918477 1179451638 /nfs/dbraw/zinc/45/16/38/1179451638.db2.gz PTSRKYRKHJFRNC-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001715114002 1179557180 /nfs/dbraw/zinc/55/71/80/1179557180.db2.gz YHWYVATYJWWGCW-FRFSOERESA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715258225 1179599994 /nfs/dbraw/zinc/59/99/94/1179599994.db2.gz ZZOCBZXSMGUSJB-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CC1 ZINC001715338949 1179633031 /nfs/dbraw/zinc/63/30/31/1179633031.db2.gz OMDJSNNKIJQMSD-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CC1 ZINC001715338949 1179633034 /nfs/dbraw/zinc/63/30/34/1179633034.db2.gz OMDJSNNKIJQMSD-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715362354 1179642591 /nfs/dbraw/zinc/64/25/91/1179642591.db2.gz LLLXGTWNNKCJCG-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715916314 1179911457 /nfs/dbraw/zinc/91/14/57/1179911457.db2.gz WHJPQMMUDLLXRK-KIUWMYQTSA-N 2 1 277.412 1.146 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001716051052 1180022612 /nfs/dbraw/zinc/02/26/12/1180022612.db2.gz LRJIPPHZJPCLFV-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001716051052 1180022616 /nfs/dbraw/zinc/02/26/16/1180022616.db2.gz LRJIPPHZJPCLFV-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001716051052 1180022620 /nfs/dbraw/zinc/02/26/20/1180022620.db2.gz LRJIPPHZJPCLFV-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001716144486 1180070869 /nfs/dbraw/zinc/07/08/69/1180070869.db2.gz DUIZDUPAIKADQK-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716478223 1180241009 /nfs/dbraw/zinc/24/10/09/1180241009.db2.gz OXWRMIQJIAVRIN-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716482858 1180245015 /nfs/dbraw/zinc/24/50/15/1180245015.db2.gz SGVXSKWGGNCRJN-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001716482858 1180245016 /nfs/dbraw/zinc/24/50/16/1180245016.db2.gz SGVXSKWGGNCRJN-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001716482858 1180245018 /nfs/dbraw/zinc/24/50/18/1180245018.db2.gz SGVXSKWGGNCRJN-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001717110167 1180532839 /nfs/dbraw/zinc/53/28/39/1180532839.db2.gz BXGFPNAYSKBTMZ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001717151507 1180549868 /nfs/dbraw/zinc/54/98/68/1180549868.db2.gz RBFIOTDCIVTQRW-ZIAGYGMSSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001717374242 1180636374 /nfs/dbraw/zinc/63/63/74/1180636374.db2.gz ONJMWXZFMJVVTH-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001717374242 1180636378 /nfs/dbraw/zinc/63/63/78/1180636378.db2.gz ONJMWXZFMJVVTH-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717477007 1180696617 /nfs/dbraw/zinc/69/66/17/1180696617.db2.gz VVZRKSHOZNRSRR-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001717624863 1180762897 /nfs/dbraw/zinc/76/28/97/1180762897.db2.gz UZHXBDDRKRQFRT-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001717886507 1180913659 /nfs/dbraw/zinc/91/36/59/1180913659.db2.gz DMBZRXNNQFJKRM-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001723522003 1181582799 /nfs/dbraw/zinc/58/27/99/1181582799.db2.gz UGIIFTLHVUBRGU-UHFFFAOYSA-N 2 1 265.401 1.285 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001725178495 1181906948 /nfs/dbraw/zinc/90/69/48/1181906948.db2.gz OTHHGJZEQDWSAQ-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001725178495 1181906955 /nfs/dbraw/zinc/90/69/55/1181906955.db2.gz OTHHGJZEQDWSAQ-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001725191942 1181915695 /nfs/dbraw/zinc/91/56/95/1181915695.db2.gz FSBGVTORMYUODE-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725406969 1181991246 /nfs/dbraw/zinc/99/12/46/1181991246.db2.gz FRBBWTHBZFMAGI-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001725730934 1182114347 /nfs/dbraw/zinc/11/43/47/1182114347.db2.gz LDJZGNHJJHJFEC-UHFFFAOYSA-N 2 1 281.444 1.683 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001731699190 1182522482 /nfs/dbraw/zinc/52/24/82/1182522482.db2.gz LWCVEXXGIPZBQT-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731794604 1182585609 /nfs/dbraw/zinc/58/56/09/1182585609.db2.gz FOKICZUYHOXHPP-QGZVFWFLSA-N 2 1 299.418 1.038 10 30 CDEEMP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731794604 1182585612 /nfs/dbraw/zinc/58/56/12/1182585612.db2.gz FOKICZUYHOXHPP-QGZVFWFLSA-N 2 1 299.418 1.038 10 30 CDEEMP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731794604 1182585622 /nfs/dbraw/zinc/58/56/22/1182585622.db2.gz FOKICZUYHOXHPP-QGZVFWFLSA-N 2 1 299.418 1.038 10 30 CDEEMP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001731794604 1182585630 /nfs/dbraw/zinc/58/56/30/1182585630.db2.gz FOKICZUYHOXHPP-QGZVFWFLSA-N 2 1 299.418 1.038 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC[C@@H](C)F ZINC001731805506 1182595382 /nfs/dbraw/zinc/59/53/82/1182595382.db2.gz SCMHCSRJXLCGCM-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC[C@@H](C)F ZINC001731805506 1182595386 /nfs/dbraw/zinc/59/53/86/1182595386.db2.gz SCMHCSRJXLCGCM-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@@H](C)F ZINC001731805506 1182595391 /nfs/dbraw/zinc/59/53/91/1182595391.db2.gz SCMHCSRJXLCGCM-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@@H](C)F ZINC001731805506 1182595398 /nfs/dbraw/zinc/59/53/98/1182595398.db2.gz SCMHCSRJXLCGCM-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001731867065 1182637776 /nfs/dbraw/zinc/63/77/76/1182637776.db2.gz QEJLUJGRCTVVCR-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001731867065 1182637782 /nfs/dbraw/zinc/63/77/82/1182637782.db2.gz QEJLUJGRCTVVCR-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001731867065 1182637787 /nfs/dbraw/zinc/63/77/87/1182637787.db2.gz QEJLUJGRCTVVCR-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CCC)C1 ZINC001732048896 1182739396 /nfs/dbraw/zinc/73/93/96/1182739396.db2.gz LVEFGLXTZZLQCJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CCC)C1 ZINC001732048896 1182739403 /nfs/dbraw/zinc/73/94/03/1182739403.db2.gz LVEFGLXTZZLQCJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC)C1 ZINC001732048896 1182739410 /nfs/dbraw/zinc/73/94/10/1182739410.db2.gz LVEFGLXTZZLQCJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC)C1 ZINC001732048896 1182739417 /nfs/dbraw/zinc/73/94/17/1182739417.db2.gz LVEFGLXTZZLQCJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001732370661 1182931989 /nfs/dbraw/zinc/93/19/89/1182931989.db2.gz VGFFTVXKZIAGGZ-LBPRGKRZSA-N 2 1 264.373 1.110 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732524425 1182996388 /nfs/dbraw/zinc/99/63/88/1182996388.db2.gz BUEYWTCIJFUHKL-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001732941923 1183192586 /nfs/dbraw/zinc/19/25/86/1183192586.db2.gz HSRRSIIYOVPVCV-HLRDLLSLSA-N 2 1 287.407 1.737 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001732967530 1183209942 /nfs/dbraw/zinc/20/99/42/1183209942.db2.gz GTKCSWVYDMVCSS-DGCLKSJQSA-N 2 1 276.384 1.034 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001733009801 1183236751 /nfs/dbraw/zinc/23/67/51/1183236751.db2.gz OFVCXLHMPPJICW-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001733143080 1183305877 /nfs/dbraw/zinc/30/58/77/1183305877.db2.gz BOFWDVOVQLJLRC-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001733264553 1183377168 /nfs/dbraw/zinc/37/71/68/1183377168.db2.gz CBBNPVMNZVITSD-MRXNPFEDSA-N 2 1 299.418 1.551 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001733334720 1183400563 /nfs/dbraw/zinc/40/05/63/1183400563.db2.gz XKDZXDDLSZAGKB-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001733413732 1183425898 /nfs/dbraw/zinc/42/58/98/1183425898.db2.gz QXAMADLXXVUFKJ-INIZCTEOSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001733879574 1183556985 /nfs/dbraw/zinc/55/69/85/1183556985.db2.gz SBAXHELPPMHHFI-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001733879574 1183556987 /nfs/dbraw/zinc/55/69/87/1183556987.db2.gz SBAXHELPPMHHFI-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001733879574 1183556990 /nfs/dbraw/zinc/55/69/90/1183556990.db2.gz SBAXHELPPMHHFI-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1[nH]cnc1C ZINC001733938508 1183574916 /nfs/dbraw/zinc/57/49/16/1183574916.db2.gz IDHWTCHOPZCTHT-AWEZNQCLSA-N 2 1 290.411 1.760 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001734456418 1183783618 /nfs/dbraw/zinc/78/36/18/1183783618.db2.gz GCESASLUCBJRCL-KGLIPLIRSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001734456418 1183783621 /nfs/dbraw/zinc/78/36/21/1183783621.db2.gz GCESASLUCBJRCL-KGLIPLIRSA-N 2 1 277.412 1.073 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734456971 1183786271 /nfs/dbraw/zinc/78/62/71/1183786271.db2.gz HRKDKUNYAJDQMC-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001317513889 957522158 /nfs/dbraw/zinc/52/21/58/957522158.db2.gz ZUIPCVJAPCNWBC-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001317513889 957522164 /nfs/dbraw/zinc/52/21/64/957522164.db2.gz ZUIPCVJAPCNWBC-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494129 736508868 /nfs/dbraw/zinc/50/88/68/736508868.db2.gz VWLSTVOOFWIYBL-KCXAZCMYSA-N 2 1 273.380 1.508 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000876771404 737080696 /nfs/dbraw/zinc/08/06/96/737080696.db2.gz RHUDOEYNNMYUQX-PSEXLTFBSA-N 2 1 285.819 1.588 10 30 CDEEMP C[C@@H]1C[N@@H+](C[C@H](O)c2ccc(C#N)cc2)C[C@@H]1C[NH3+] ZINC000708855985 737750914 /nfs/dbraw/zinc/75/09/14/737750914.db2.gz WQMUBSCEMZBVSP-UGFHNGPFSA-N 2 1 259.353 1.118 10 30 CDEEMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000796946019 737820724 /nfs/dbraw/zinc/82/07/24/737820724.db2.gz DHNOZLTWZRDWHV-JYJNAYRXSA-N 2 1 270.380 1.916 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@@H]2CCC[C@@H]21 ZINC000796946019 737820727 /nfs/dbraw/zinc/82/07/27/737820727.db2.gz DHNOZLTWZRDWHV-JYJNAYRXSA-N 2 1 270.380 1.916 10 30 CDEEMP C=CCCCCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878125253 738547326 /nfs/dbraw/zinc/54/73/26/738547326.db2.gz NLUWUMLMHSFGGR-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740412 738802237 /nfs/dbraw/zinc/80/22/37/738802237.db2.gz SRXOTQOMZWCUBK-IKGGRYGDSA-N 2 1 285.391 1.475 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740412 738802238 /nfs/dbraw/zinc/80/22/38/738802238.db2.gz SRXOTQOMZWCUBK-IKGGRYGDSA-N 2 1 285.391 1.475 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740412 738802239 /nfs/dbraw/zinc/80/22/39/738802239.db2.gz SRXOTQOMZWCUBK-IKGGRYGDSA-N 2 1 285.391 1.475 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933740412 738802241 /nfs/dbraw/zinc/80/22/41/738802241.db2.gz SRXOTQOMZWCUBK-IKGGRYGDSA-N 2 1 285.391 1.475 10 30 CDEEMP C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])CCCCC#N ZINC000720886441 737025219 /nfs/dbraw/zinc/02/52/19/737025219.db2.gz GTFUDZOXCSDHJW-MELADBBJSA-N 2 1 278.400 1.093 10 30 CDEEMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1cccs1 ZINC000261980057 737448455 /nfs/dbraw/zinc/44/84/55/737448455.db2.gz HSAUJRDWYDJKCH-NSHDSACASA-N 2 1 266.414 1.289 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875621881 737666914 /nfs/dbraw/zinc/66/69/14/737666914.db2.gz BTWXSAQOJHBNQV-UHFFFAOYSA-N 2 1 294.443 1.067 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000875621881 737666925 /nfs/dbraw/zinc/66/69/25/737666925.db2.gz BTWXSAQOJHBNQV-UHFFFAOYSA-N 2 1 294.443 1.067 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000875621881 737666931 /nfs/dbraw/zinc/66/69/31/737666931.db2.gz BTWXSAQOJHBNQV-UHFFFAOYSA-N 2 1 294.443 1.067 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877969524 737815969 /nfs/dbraw/zinc/81/59/69/737815969.db2.gz CVRQKXQTQJPTJB-HNNXBMFYSA-N 2 1 296.411 1.148 10 30 CDEEMP C=CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000878198594 738266743 /nfs/dbraw/zinc/26/67/43/738266743.db2.gz NMRQRLQMFCLCNL-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001671142682 1167302013 /nfs/dbraw/zinc/30/20/13/1167302013.db2.gz YRBAPVZSZOUZOF-CQSZACIVSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001566895956 1168459045 /nfs/dbraw/zinc/45/90/45/1168459045.db2.gz STBSXIOSLHZQAS-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001566909905 1168463064 /nfs/dbraw/zinc/46/30/64/1168463064.db2.gz HWTRLTJPYRNRKV-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC ZINC001567255375 1168641689 /nfs/dbraw/zinc/64/16/89/1168641689.db2.gz QAZJJKXSCPMWTC-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC ZINC001567255375 1168641692 /nfs/dbraw/zinc/64/16/92/1168641692.db2.gz QAZJJKXSCPMWTC-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC ZINC001567255375 1168641696 /nfs/dbraw/zinc/64/16/96/1168641696.db2.gz QAZJJKXSCPMWTC-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC ZINC001567255375 1168641699 /nfs/dbraw/zinc/64/16/99/1168641699.db2.gz QAZJJKXSCPMWTC-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001567266132 1168643265 /nfs/dbraw/zinc/64/32/65/1168643265.db2.gz GSRJDTYEBUAOFI-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001567266132 1168643271 /nfs/dbraw/zinc/64/32/71/1168643271.db2.gz GSRJDTYEBUAOFI-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001567266132 1168643274 /nfs/dbraw/zinc/64/32/74/1168643274.db2.gz GSRJDTYEBUAOFI-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266362670 894569312 /nfs/dbraw/zinc/56/93/12/894569312.db2.gz PMOLVJPAUPPMIO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266362670 894569326 /nfs/dbraw/zinc/56/93/26/894569326.db2.gz PMOLVJPAUPPMIO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266362670 894569333 /nfs/dbraw/zinc/56/93/33/894569333.db2.gz PMOLVJPAUPPMIO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439689 894906570 /nfs/dbraw/zinc/90/65/70/894906570.db2.gz UOAUFWLUAZHHMA-HIFRSBDPSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266483283 895030515 /nfs/dbraw/zinc/03/05/15/895030515.db2.gz SFEUKMBJPJZZSL-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266548480 895314030 /nfs/dbraw/zinc/31/40/30/895314030.db2.gz AWYDBTHMTHXICR-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266548480 895314047 /nfs/dbraw/zinc/31/40/47/895314047.db2.gz AWYDBTHMTHXICR-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001266579354 895432380 /nfs/dbraw/zinc/43/23/80/895432380.db2.gz OUXABPDVHWAVOK-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266579354 895432385 /nfs/dbraw/zinc/43/23/85/895432385.db2.gz OUXABPDVHWAVOK-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001266579354 895432391 /nfs/dbraw/zinc/43/23/91/895432391.db2.gz OUXABPDVHWAVOK-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267094874 896767551 /nfs/dbraw/zinc/76/75/51/896767551.db2.gz VXSDRNYXPQTOOT-HUUCEWRRSA-N 2 1 288.395 1.232 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001267181876 897034489 /nfs/dbraw/zinc/03/44/89/897034489.db2.gz PNGBMIOPCASGEU-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001267181876 897034499 /nfs/dbraw/zinc/03/44/99/897034499.db2.gz PNGBMIOPCASGEU-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001267181876 897034506 /nfs/dbraw/zinc/03/45/06/897034506.db2.gz PNGBMIOPCASGEU-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001480934109 897677738 /nfs/dbraw/zinc/67/77/38/897677738.db2.gz AUITXAZOROFLNV-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001480934109 897677742 /nfs/dbraw/zinc/67/77/42/897677742.db2.gz AUITXAZOROFLNV-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001480934109 897677750 /nfs/dbraw/zinc/67/77/50/897677750.db2.gz AUITXAZOROFLNV-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001267584832 898558622 /nfs/dbraw/zinc/55/86/22/898558622.db2.gz JMIIBGHGMIXCMM-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267584832 898558637 /nfs/dbraw/zinc/55/86/37/898558637.db2.gz JMIIBGHGMIXCMM-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267584832 898558645 /nfs/dbraw/zinc/55/86/45/898558645.db2.gz JMIIBGHGMIXCMM-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001481066878 898725587 /nfs/dbraw/zinc/72/55/87/898725587.db2.gz ICVJNEHXIBEGLX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001481066878 898725599 /nfs/dbraw/zinc/72/55/99/898725599.db2.gz ICVJNEHXIBEGLX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001481066878 898725609 /nfs/dbraw/zinc/72/56/09/898725609.db2.gz ICVJNEHXIBEGLX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267989084 900204338 /nfs/dbraw/zinc/20/43/38/900204338.db2.gz FPMXINSLGQWPRT-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267988924 900205926 /nfs/dbraw/zinc/20/59/26/900205926.db2.gz BYTFNTOLBKQFPB-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567709443 1168931373 /nfs/dbraw/zinc/93/13/73/1168931373.db2.gz ORJLEMSZXOCIHX-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567709443 1168931379 /nfs/dbraw/zinc/93/13/79/1168931379.db2.gz ORJLEMSZXOCIHX-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001567709443 1168931383 /nfs/dbraw/zinc/93/13/83/1168931383.db2.gz ORJLEMSZXOCIHX-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001268251820 901671313 /nfs/dbraw/zinc/67/13/13/901671313.db2.gz IVBZYNBBFCDXNW-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001268270821 901716930 /nfs/dbraw/zinc/71/69/30/901716930.db2.gz QHBDZWUDROOPFN-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001268270821 901716939 /nfs/dbraw/zinc/71/69/39/901716939.db2.gz QHBDZWUDROOPFN-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001268270821 901716946 /nfs/dbraw/zinc/71/69/46/901716946.db2.gz QHBDZWUDROOPFN-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001481694821 901819422 /nfs/dbraw/zinc/81/94/22/901819422.db2.gz RRVRDNXLFSUJCY-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481694821 901819431 /nfs/dbraw/zinc/81/94/31/901819431.db2.gz RRVRDNXLFSUJCY-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481694821 901819441 /nfs/dbraw/zinc/81/94/41/901819441.db2.gz RRVRDNXLFSUJCY-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001482026456 902483029 /nfs/dbraw/zinc/48/30/29/902483029.db2.gz LBBCRZTXIQPHNK-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001268978674 903295825 /nfs/dbraw/zinc/29/58/25/903295825.db2.gz FZAIHIUWLRPNTC-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001268978674 903295830 /nfs/dbraw/zinc/29/58/30/903295830.db2.gz FZAIHIUWLRPNTC-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482493645 906634337 /nfs/dbraw/zinc/63/43/37/906634337.db2.gz LQSBNEGTTGRFSA-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001482543438 906979685 /nfs/dbraw/zinc/97/96/85/906979685.db2.gz IQOMINCRTPGYRE-CQSZACIVSA-N 2 1 278.400 1.498 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC001482953040 908530804 /nfs/dbraw/zinc/53/08/04/908530804.db2.gz GAGMYMUQIFTYMS-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339645 910933017 /nfs/dbraw/zinc/93/30/17/910933017.db2.gz JKWAIWJTUKADEW-MGPQQGTHSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483339645 910933030 /nfs/dbraw/zinc/93/30/30/910933030.db2.gz JKWAIWJTUKADEW-MGPQQGTHSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483339645 910933046 /nfs/dbraw/zinc/93/30/46/910933046.db2.gz JKWAIWJTUKADEW-MGPQQGTHSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001483349447 910952361 /nfs/dbraw/zinc/95/23/61/910952361.db2.gz OGRJZNNWGSORQV-KGLIPLIRSA-N 2 1 267.417 1.032 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383731 911028475 /nfs/dbraw/zinc/02/84/75/911028475.db2.gz JGUBBPQXQTVSQX-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H](C)F ZINC001483471892 911161533 /nfs/dbraw/zinc/16/15/33/911161533.db2.gz NCWCSDTZMMTCQL-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@H](C)F ZINC001483471892 911161544 /nfs/dbraw/zinc/16/15/44/911161544.db2.gz NCWCSDTZMMTCQL-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001484619185 915956563 /nfs/dbraw/zinc/95/65/63/915956563.db2.gz BISMMSHDWBKZDG-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485827205 918944643 /nfs/dbraw/zinc/94/46/43/918944643.db2.gz ONYZRTJBQCIZNE-HOCLYGCPSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001486462696 921044058 /nfs/dbraw/zinc/04/40/58/921044058.db2.gz SKJYLGHHIYAPSB-SSHXOBKSSA-N 2 1 291.439 1.319 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001568417427 1169278239 /nfs/dbraw/zinc/27/82/39/1169278239.db2.gz XOIPFOLXISQRQY-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001273365508 926451465 /nfs/dbraw/zinc/45/14/65/926451465.db2.gz IMFDCJFXNDKDOH-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](COC)CC1CCOCC1 ZINC000850471731 927434383 /nfs/dbraw/zinc/43/43/83/927434383.db2.gz TUXOPHBENKORHB-INIZCTEOSA-N 2 1 282.428 1.363 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](COC)CC1CCOCC1 ZINC000850471731 927434388 /nfs/dbraw/zinc/43/43/88/927434388.db2.gz TUXOPHBENKORHB-INIZCTEOSA-N 2 1 282.428 1.363 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001279182851 931133566 /nfs/dbraw/zinc/13/35/66/931133566.db2.gz MIKDXCQWYOQZBJ-GJZGRUSLSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001275160709 931684191 /nfs/dbraw/zinc/68/41/91/931684191.db2.gz PPWIKATXFCICQQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001275160709 931684194 /nfs/dbraw/zinc/68/41/94/931684194.db2.gz PPWIKATXFCICQQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C1 ZINC001276586302 940384965 /nfs/dbraw/zinc/38/49/65/940384965.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001276586302 940384967 /nfs/dbraw/zinc/38/49/67/940384967.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CCC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001276586302 940384969 /nfs/dbraw/zinc/38/49/69/940384969.db2.gz GPKKCXCEOKZOPF-CQSZACIVSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001276890444 941677409 /nfs/dbraw/zinc/67/74/09/941677409.db2.gz BXTJOKLWHUGHNZ-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001276890444 941677410 /nfs/dbraw/zinc/67/74/10/941677410.db2.gz BXTJOKLWHUGHNZ-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001276910453 941691140 /nfs/dbraw/zinc/69/11/40/941691140.db2.gz ZMYYGMCLDDTJEY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276971107 941752423 /nfs/dbraw/zinc/75/24/23/941752423.db2.gz YQFYVCZXELNNAG-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276971107 941752426 /nfs/dbraw/zinc/75/24/26/941752426.db2.gz YQFYVCZXELNNAG-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001281682622 942609248 /nfs/dbraw/zinc/60/92/48/942609248.db2.gz FOSICSMYFQLHFM-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001282335795 942690747 /nfs/dbraw/zinc/69/07/47/942690747.db2.gz SLLJRPWSIGQTLA-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001284247397 943129291 /nfs/dbraw/zinc/12/92/91/943129291.db2.gz YZVOGPLVIYFADE-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001284345887 943152246 /nfs/dbraw/zinc/15/22/46/943152246.db2.gz CNLKFFDBZIHOTC-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001284751540 943254111 /nfs/dbraw/zinc/25/41/11/943254111.db2.gz XHTKRECNQQMPGN-JXQTWKCFSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001284921094 943289406 /nfs/dbraw/zinc/28/94/06/943289406.db2.gz QSRSFEFOOHTFNE-OAHLLOKOSA-N 2 1 297.418 1.601 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001264380938 944119797 /nfs/dbraw/zinc/11/97/97/944119797.db2.gz UEJBPDIPNUORAQ-OAHLLOKOSA-N 2 1 277.412 1.028 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001264380938 944119801 /nfs/dbraw/zinc/11/98/01/944119801.db2.gz UEJBPDIPNUORAQ-OAHLLOKOSA-N 2 1 277.412 1.028 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001264376835 944119943 /nfs/dbraw/zinc/11/99/43/944119943.db2.gz PIHLOEKDSYRYGG-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001264376835 944119950 /nfs/dbraw/zinc/11/99/50/944119950.db2.gz PIHLOEKDSYRYGG-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001264376835 944119955 /nfs/dbraw/zinc/11/99/55/944119955.db2.gz PIHLOEKDSYRYGG-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001264376834 944120303 /nfs/dbraw/zinc/12/03/03/944120303.db2.gz PIHLOEKDSYRYGG-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001264376834 944120307 /nfs/dbraw/zinc/12/03/07/944120307.db2.gz PIHLOEKDSYRYGG-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001264376834 944120311 /nfs/dbraw/zinc/12/03/11/944120311.db2.gz PIHLOEKDSYRYGG-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001264739046 944172486 /nfs/dbraw/zinc/17/24/86/944172486.db2.gz OOZGLTHEVHZFJF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001264739046 944172489 /nfs/dbraw/zinc/17/24/89/944172489.db2.gz OOZGLTHEVHZFJF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001264739046 944172493 /nfs/dbraw/zinc/17/24/93/944172493.db2.gz OOZGLTHEVHZFJF-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265091247 944226123 /nfs/dbraw/zinc/22/61/23/944226123.db2.gz DEFHTAABWZULAO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001265596786 944442382 /nfs/dbraw/zinc/44/23/82/944442382.db2.gz KLNOKZHXZQVAFE-HNNXBMFYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001265596986 944442487 /nfs/dbraw/zinc/44/24/87/944442487.db2.gz OAFZZMXJSOVWOU-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001265596986 944442488 /nfs/dbraw/zinc/44/24/88/944442488.db2.gz OAFZZMXJSOVWOU-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001265596986 944442492 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ZINC001320440628 959174452 /nfs/dbraw/zinc/17/44/52/959174452.db2.gz UXKZBJRWUCYQBZ-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001321097842 959590302 /nfs/dbraw/zinc/59/03/02/959590302.db2.gz QTYHGSJGBKZECC-RDFMZFSFSA-N 2 1 299.846 1.875 10 30 CDEEMP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495298765 972468019 /nfs/dbraw/zinc/46/80/19/972468019.db2.gz KGVYHIDCHVRKHY-PBHICJAKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247702 960149253 /nfs/dbraw/zinc/14/92/53/960149253.db2.gz HOBMGNUVRPAFBV-MGPQQGTHSA-N 2 1 290.411 1.536 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001323158860 960487966 /nfs/dbraw/zinc/48/79/66/960487966.db2.gz JVEZOTXRKHQHSF-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001323165425 960491042 /nfs/dbraw/zinc/49/10/42/960491042.db2.gz ZPDPELUHCNVKOB-HUUCEWRRSA-N 2 1 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/nfs/dbraw/zinc/11/74/20/973117420.db2.gz VEETUIRPBQDWLN-UHFFFAOYSA-N 2 1 267.417 1.439 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001497220683 973249371 /nfs/dbraw/zinc/24/93/71/973249371.db2.gz MYDSXHISCZHTOO-GFCCVEGCSA-N 2 1 294.399 1.410 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497222277 973252024 /nfs/dbraw/zinc/25/20/24/973252024.db2.gz VGVSGPDTFNLHKI-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497414045 973335333 /nfs/dbraw/zinc/33/53/33/973335333.db2.gz FCPZFBGIRDZXHX-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001499448422 974256358 /nfs/dbraw/zinc/25/63/58/974256358.db2.gz KMCISNGMWVTYHS-UHFFFAOYSA-N 2 1 262.357 1.006 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001502367682 974725091 /nfs/dbraw/zinc/72/50/91/974725091.db2.gz ORXVVWHBFHYKOL-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546780 974748800 /nfs/dbraw/zinc/74/88/00/974748800.db2.gz XTCFWIRPOFQLIH-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506859376 975237490 /nfs/dbraw/zinc/23/74/90/975237490.db2.gz UMNQLHPACPNAQA-ARFHVFGLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001507329567 975419306 /nfs/dbraw/zinc/41/93/06/975419306.db2.gz WAFCHPNEFXZRBL-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001379250386 975729290 /nfs/dbraw/zinc/72/92/90/975729290.db2.gz ROWPAIVODIGFGY-STQMWFEESA-N 2 1 287.835 1.660 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001676481503 1174232016 /nfs/dbraw/zinc/23/20/16/1174232016.db2.gz SNGFGAZEBWQTJP-KGLIPLIRSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001571523143 1170461455 /nfs/dbraw/zinc/46/14/55/1170461455.db2.gz ORTVQSWHYQTGNG-LSDHHAIUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1C ZINC001571523143 1170461458 /nfs/dbraw/zinc/46/14/58/1170461458.db2.gz ORTVQSWHYQTGNG-LSDHHAIUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001571523143 1170461460 /nfs/dbraw/zinc/46/14/60/1170461460.db2.gz ORTVQSWHYQTGNG-LSDHHAIUSA-N 2 1 293.455 1.567 10 30 CDEEMP C[C@@H]1CC2(C[N@H+]1Cc1ccncc1C#N)CC[NH2+]CC2 ZINC000592495278 342696996 /nfs/dbraw/zinc/69/69/96/342696996.db2.gz PLABAYXVAPNHAM-CYBMUJFWSA-N 2 1 270.380 1.917 10 30 CDEEMP Cc1nnc(NCC[N@@H+](C)CCC[NH+](C)C)c(C#N)c1C ZINC000610972731 346555218 /nfs/dbraw/zinc/55/52/18/346555218.db2.gz IDBRHSSRHNUAKI-UHFFFAOYSA-N 2 1 290.415 1.261 10 30 CDEEMP Cc1nnc(NCC[N@H+](C)CCC[NH+](C)C)c(C#N)c1C ZINC000610972731 346555220 /nfs/dbraw/zinc/55/52/20/346555220.db2.gz IDBRHSSRHNUAKI-UHFFFAOYSA-N 2 1 290.415 1.261 10 30 CDEEMP CC(C)[C@](C)(C#N)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123572195 375846251 /nfs/dbraw/zinc/84/62/51/375846251.db2.gz AOKZQNIXUKJQHW-YCPHGPKFSA-N 2 1 294.443 1.455 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001662351439 1172535315 /nfs/dbraw/zinc/53/53/15/1172535315.db2.gz VYGYVAKKMOZIPP-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001673397400 1172577591 /nfs/dbraw/zinc/57/75/91/1172577591.db2.gz QQCWCFBHNMABCQ-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001663124314 1172638298 /nfs/dbraw/zinc/63/82/98/1172638298.db2.gz WBZWROIKLMGGOM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001663124314 1172638306 /nfs/dbraw/zinc/63/83/06/1172638306.db2.gz WBZWROIKLMGGOM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663287931 1172666932 /nfs/dbraw/zinc/66/69/32/1172666932.db2.gz DEPDJFBDXSKNIQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001663381858 1172683915 /nfs/dbraw/zinc/68/39/15/1172683915.db2.gz SPLXMJBWDHTSQJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001663381858 1172683918 /nfs/dbraw/zinc/68/39/18/1172683918.db2.gz SPLXMJBWDHTSQJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001663381858 1172683922 /nfs/dbraw/zinc/68/39/22/1172683922.db2.gz SPLXMJBWDHTSQJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647525250 390672129 /nfs/dbraw/zinc/67/21/29/390672129.db2.gz IHOCODCAKFTGFF-HOTGVXAUSA-N 2 1 278.396 1.006 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647525250 390672133 /nfs/dbraw/zinc/67/21/33/390672133.db2.gz IHOCODCAKFTGFF-HOTGVXAUSA-N 2 1 278.396 1.006 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001664036696 1172803755 /nfs/dbraw/zinc/80/37/55/1172803755.db2.gz QTVRXGHYJDLMHH-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001664854509 1172920364 /nfs/dbraw/zinc/92/03/64/1172920364.db2.gz PYHJZBAUCFCNQK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001665425128 1172993980 /nfs/dbraw/zinc/99/39/80/1172993980.db2.gz JKGAXHNATDZKMH-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP CN[C@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311099 175356658 /nfs/dbraw/zinc/35/66/58/175356658.db2.gz PMIKKBIBKMHUDU-AWEZNQCLSA-N 2 1 252.406 1.294 10 30 CDEEMP CN(Cc1sccc1C#CC[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071190471 176066067 /nfs/dbraw/zinc/06/60/67/176066067.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 2 1 277.437 1.442 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071190471 176066069 /nfs/dbraw/zinc/06/60/69/176066069.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C[N@H+](Cc1sccc1C#CC[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071190471 176066070 /nfs/dbraw/zinc/06/60/70/176066070.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1sccc1C#CC[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071190471 176066071 /nfs/dbraw/zinc/06/60/71/176066071.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1sccc1C#CC[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071190471 176066073 /nfs/dbraw/zinc/06/60/73/176066073.db2.gz HIIHPZSOVULISQ-ZDUSSCGKSA-N 3 1 277.437 1.442 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682235 424311789 /nfs/dbraw/zinc/31/17/89/424311789.db2.gz OXSRYXBJNPTEFX-CJNGLKHVSA-N 2 1 277.412 1.285 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCC)CCC[NH2+]1 ZINC000662791307 424480295 /nfs/dbraw/zinc/48/02/95/424480295.db2.gz JIYTYJSXBXMQBP-HOCLYGCPSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001667098644 1173234681 /nfs/dbraw/zinc/23/46/81/1173234681.db2.gz XGIGCRWMDLMUPG-HNNXBMFYSA-N 2 1 290.411 1.335 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668833786 1173471747 /nfs/dbraw/zinc/47/17/47/1173471747.db2.gz KJMDYTBLXDVWDP-UUWJMPJDSA-N 2 1 293.455 1.943 10 30 CDEEMP C[C@@H]1CN(C(=[NH2+])NC[C@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000262305313 330005085 /nfs/dbraw/zinc/00/50/85/330005085.db2.gz AIAXZLDNKFHMCF-CHWSQXEVSA-N 2 1 282.432 1.142 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262823709 330034110 /nfs/dbraw/zinc/03/41/10/330034110.db2.gz ZBYLLQRMXPUAAM-CQSZACIVSA-N 2 1 294.443 1.159 10 30 CDEEMP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000262845611 330035163 /nfs/dbraw/zinc/03/51/63/330035163.db2.gz RRHZMMBHHNJYNC-KBPBESRZSA-N 2 1 280.416 1.087 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001700184920 1176788070 /nfs/dbraw/zinc/78/80/70/1176788070.db2.gz QDMXGUGHLHLSRL-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001700184920 1176788076 /nfs/dbraw/zinc/78/80/76/1176788076.db2.gz QDMXGUGHLHLSRL-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001700184920 1176788081 /nfs/dbraw/zinc/78/80/81/1176788081.db2.gz QDMXGUGHLHLSRL-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268699431 1160006316 /nfs/dbraw/zinc/00/63/16/1160006316.db2.gz NBWZGJMOYDEIHV-KKUMJFAQSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CCC[NH2+]1 ZINC000662804031 482430578 /nfs/dbraw/zinc/43/05/78/482430578.db2.gz NVZNMOFNDCAYCQ-ZMSDIMECSA-N 2 1 291.439 1.627 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001483016374 1160666039 /nfs/dbraw/zinc/66/60/39/1160666039.db2.gz COOXAOKSHLWNRV-JFDDCEBESA-N 2 1 289.423 1.289 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714649324 1179295584 /nfs/dbraw/zinc/29/55/84/1179295584.db2.gz VCMIFQYTWBWICL-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001725499294 1182026511 /nfs/dbraw/zinc/02/65/11/1182026511.db2.gz XLTDQQHNOCIMNG-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC(C)C[NH+]1CCN(CCC[C@](C)([NH3+])C#N)CC1 ZINC000055081104 519725934 /nfs/dbraw/zinc/72/59/34/519725934.db2.gz CRCVAXOSXIRVNI-AWEZNQCLSA-N 2 1 252.406 1.281 10 30 CDEEMP CC(C)N[C@](C#N)(C[N@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083509 519738702 /nfs/dbraw/zinc/73/87/02/519738702.db2.gz UAXUADKVAFZYIN-QGZVFWFLSA-N 2 1 292.471 1.930 10 30 CDEEMP CC(C)N[C@](C#N)(C[N@@H+](C)CC1CC[NH+](C)CC1)C1CC1 ZINC000069083509 519738704 /nfs/dbraw/zinc/73/87/04/519738704.db2.gz UAXUADKVAFZYIN-QGZVFWFLSA-N 2 1 292.471 1.930 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001689942593 1175318387 /nfs/dbraw/zinc/31/83/87/1175318387.db2.gz LEMPOWIWLOXASJ-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941221569 613228088 /nfs/dbraw/zinc/22/80/88/613228088.db2.gz XGRRKSAUOWCCKP-CQSZACIVSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941221569 613228091 /nfs/dbraw/zinc/22/80/91/613228091.db2.gz XGRRKSAUOWCCKP-CQSZACIVSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](Nc2cc(N)[nH+]cc2Cl)C1 ZINC000895200916 619448208 /nfs/dbraw/zinc/44/82/08/619448208.db2.gz KIGFDTQIBBQMHY-SNVBAGLBSA-N 2 1 264.760 1.827 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](Nc2cc(N)[nH+]cc2Cl)C1 ZINC000895200916 619448209 /nfs/dbraw/zinc/44/82/09/619448209.db2.gz KIGFDTQIBBQMHY-SNVBAGLBSA-N 2 1 264.760 1.827 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000900338476 622886919 /nfs/dbraw/zinc/88/69/19/622886919.db2.gz WNRKGNQPEGLELQ-UHFFFAOYSA-N 2 1 289.423 1.743 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000900892103 623613519 /nfs/dbraw/zinc/61/35/19/623613519.db2.gz 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/nfs/dbraw/zinc/10/66/29/1159106629.db2.gz RYAMYOKQMOQJPE-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001725111867 1159106633 /nfs/dbraw/zinc/10/66/33/1159106633.db2.gz RYAMYOKQMOQJPE-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001725111867 1159106636 /nfs/dbraw/zinc/10/66/36/1159106636.db2.gz RYAMYOKQMOQJPE-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001482058408 1159970754 /nfs/dbraw/zinc/97/07/54/1159970754.db2.gz BYSLPLZKTMEVLQ-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(CC#N)n1 ZINC001645959243 1167589747 /nfs/dbraw/zinc/58/97/47/1167589747.db2.gz GEOLDUTYGCIDJA-AWEZNQCLSA-N 2 1 289.427 1.832 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(CC#N)n1 ZINC001645959243 1167589754 /nfs/dbraw/zinc/58/97/54/1167589754.db2.gz GEOLDUTYGCIDJA-AWEZNQCLSA-N 2 1 289.427 1.832 10 30 CDEEMP 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10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109892 1171769887 /nfs/dbraw/zinc/76/98/87/1171769887.db2.gz UCCFYENYCFDIHL-AWEZNQCLSA-N 2 1 265.401 1.191 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001657022300 1171916541 /nfs/dbraw/zinc/91/65/41/1171916541.db2.gz WFLSSGZEQGXFHF-CABCVRRESA-N 2 1 291.439 1.627 10 30 CDEEMP C=CC[NH+](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001663731521 1172754134 /nfs/dbraw/zinc/75/41/34/1172754134.db2.gz ZQKXNPCBBNFGPN-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001663731521 1172754136 /nfs/dbraw/zinc/75/41/36/1172754136.db2.gz ZQKXNPCBBNFGPN-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001663731521 1172754140 /nfs/dbraw/zinc/75/41/40/1172754140.db2.gz ZQKXNPCBBNFGPN-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001663748583 1172756321 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281.444 1.731 10 30 CDEEMP C=CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698692551 1175896723 /nfs/dbraw/zinc/89/67/23/1175896723.db2.gz ZTNVJQYSNINZNB-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001699141788 1176110742 /nfs/dbraw/zinc/11/07/42/1176110742.db2.gz KZFQRGDCCFTZFP-CHWSQXEVSA-N 2 1 278.400 1.649 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001699373472 1176328927 /nfs/dbraw/zinc/32/89/27/1176328927.db2.gz DTIVSGMPSUYVII-BFHYXJOUSA-N 2 1 267.417 1.530 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001699403510 1176370749 /nfs/dbraw/zinc/37/07/49/1176370749.db2.gz AILUYPIJNRBMJF-UONOGXRCSA-N 2 1 290.411 1.514 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001700193171 1176793721 /nfs/dbraw/zinc/79/37/21/1176793721.db2.gz QKJDKBLYONXNTL-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001700753435 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1179518237 /nfs/dbraw/zinc/51/82/37/1179518237.db2.gz XMUFUSAFMRILOW-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001715112931 1179555515 /nfs/dbraw/zinc/55/55/15/1179555515.db2.gz STJOURISXSBVJE-XPKDYRNWSA-N 2 1 279.428 1.387 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001715204968 1179575337 /nfs/dbraw/zinc/57/53/37/1179575337.db2.gz WWCUUXGUXTUPKP-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001715504237 1179686033 /nfs/dbraw/zinc/68/60/33/1179686033.db2.gz OHGBZZGHGGKISJ-GJZGRUSLSA-N 2 1 279.428 1.082 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001716179690 1180085306 /nfs/dbraw/zinc/08/53/06/1180085306.db2.gz ZBSZXXKEIBNXJJ-CVEARBPZSA-N 2 1 293.455 1.757 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716513703 1180263134 /nfs/dbraw/zinc/26/31/34/1180263134.db2.gz GMTJQRLGMQLMED-GDBMZVCRSA-N 2 1 291.439 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1180719692 /nfs/dbraw/zinc/71/96/92/1180719692.db2.gz OCBVJWFCXOTONO-HZPDHXFCSA-N 2 1 295.471 1.977 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001717605244 1180756228 /nfs/dbraw/zinc/75/62/28/1180756228.db2.gz HEMAMMMVCFAHHZ-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001717954313 1180945320 /nfs/dbraw/zinc/94/53/20/1180945320.db2.gz DHOUDQVIKVATBW-UONOGXRCSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001722925136 1181493943 /nfs/dbraw/zinc/49/39/43/1181493943.db2.gz HFZXGUSDGQSZOL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)CCO1 ZINC001724823963 1181764906 /nfs/dbraw/zinc/76/49/06/1181764906.db2.gz OSUICAAPECYFGH-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001725661260 1182090369 /nfs/dbraw/zinc/09/03/69/1182090369.db2.gz PPLMEGBUBPNCGW-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001725661952 1182091359 /nfs/dbraw/zinc/09/13/59/1182091359.db2.gz HRWKOKVDQNJWAZ-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001731245817 1182273489 /nfs/dbraw/zinc/27/34/89/1182273489.db2.gz OEVWXCKBZCRRLU-UHFFFAOYSA-N 2 1 287.835 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001731245817 1182273492 /nfs/dbraw/zinc/27/34/92/1182273492.db2.gz OEVWXCKBZCRRLU-UHFFFAOYSA-N 2 1 287.835 1.661 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001731508854 1182426469 /nfs/dbraw/zinc/42/64/69/1182426469.db2.gz QRSAZPCPMMFHNC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001731508854 1182426478 /nfs/dbraw/zinc/42/64/78/1182426478.db2.gz QRSAZPCPMMFHNC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001731508854 1182426490 /nfs/dbraw/zinc/42/64/90/1182426490.db2.gz QRSAZPCPMMFHNC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731516776 1182431341 /nfs/dbraw/zinc/43/13/41/1182431341.db2.gz ZEKDTJRRGYCXBO-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731815834 1182603884 /nfs/dbraw/zinc/60/38/84/1182603884.db2.gz DVQUEKZYDWPFJU-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001731862090 1182633660 /nfs/dbraw/zinc/63/36/60/1182633660.db2.gz YMPSRZHEQVDWBL-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001731883116 1182649595 /nfs/dbraw/zinc/64/95/95/1182649595.db2.gz AMFXZRMECGOGIV-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001731883116 1182649601 /nfs/dbraw/zinc/64/96/01/1182649601.db2.gz AMFXZRMECGOGIV-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001731883116 1182649607 /nfs/dbraw/zinc/64/96/07/1182649607.db2.gz AMFXZRMECGOGIV-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732003033 1182720613 /nfs/dbraw/zinc/72/06/13/1182720613.db2.gz UOPVVLWKSJXQCY-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001732060642 1182745522 /nfs/dbraw/zinc/74/55/22/1182745522.db2.gz SHBJEKKJXGSHQY-AWEZNQCLSA-N 2 1 290.411 1.665 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001732147327 1182805442 /nfs/dbraw/zinc/80/54/42/1182805442.db2.gz MGGICIUTTUOBEZ-JYJNAYRXSA-N 2 1 293.455 1.968 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001732393330 1182944062 /nfs/dbraw/zinc/94/40/62/1182944062.db2.gz LOMJZDRKDRAQEV-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732455026 1182975402 /nfs/dbraw/zinc/97/54/02/1182975402.db2.gz RIWLGRYNWJKASM-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001732557918 1183008720 /nfs/dbraw/zinc/00/87/20/1183008720.db2.gz YBUMMBSOYDKICQ-KGLIPLIRSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001732892560 1183174260 /nfs/dbraw/zinc/17/42/60/1183174260.db2.gz RGUUDQLQQRBYCW-BEWKBBBFSA-N 2 1 279.428 1.555 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001733082576 1183280747 /nfs/dbraw/zinc/28/07/47/1183280747.db2.gz FEYFQJJTFJGRRT-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001733675620 1183494183 /nfs/dbraw/zinc/49/41/83/1183494183.db2.gz GVYPHFWVZYGHHO-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001733846073 1183548044 /nfs/dbraw/zinc/54/80/44/1183548044.db2.gz GUDQQCMFYMDLGE-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001733934448 1183573917 /nfs/dbraw/zinc/57/39/17/1183573917.db2.gz YJFVDTNLCMGZQU-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001734022589 1183616667 /nfs/dbraw/zinc/61/66/67/1183616667.db2.gz ANLWPOZLUHNAKK-UHFFFAOYSA-N 2 1 292.427 1.842 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001734121068 1183666202 /nfs/dbraw/zinc/66/62/02/1183666202.db2.gz ZVSRFKYRZRGLEU-CYBMUJFWSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001734210355 1183692048 /nfs/dbraw/zinc/69/20/48/1183692048.db2.gz FRGQROAVMLWQDZ-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001734463446 1183787451 /nfs/dbraw/zinc/78/74/51/1183787451.db2.gz WFCJMGKYXLNOIJ-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCC1=CCCC1 ZINC000133909761 740152589 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C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001569118788 1167553776 /nfs/dbraw/zinc/55/37/76/1167553776.db2.gz GWRVZJJDOHVRMH-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483695190 912874254 /nfs/dbraw/zinc/87/42/54/912874254.db2.gz PSULQTGIWOUJDE-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567201753 1168616637 /nfs/dbraw/zinc/61/66/37/1168616637.db2.gz HNOXPXCDVGVPMV-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567201753 1168616640 /nfs/dbraw/zinc/61/66/40/1168616640.db2.gz HNOXPXCDVGVPMV-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567201753 1168616642 /nfs/dbraw/zinc/61/66/42/1168616642.db2.gz HNOXPXCDVGVPMV-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001266326914 894401883 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C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485747293 917252280 /nfs/dbraw/zinc/25/22/80/917252280.db2.gz APHXZIHVUYSVDP-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001486129738 920733258 /nfs/dbraw/zinc/73/32/58/920733258.db2.gz OEQAYFDCSQHZKX-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001486220306 920828911 /nfs/dbraw/zinc/82/89/11/920828911.db2.gz KFFFHJKHISTGFI-KGLIPLIRSA-N 2 1 276.384 1.252 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001490903180 936686911 /nfs/dbraw/zinc/68/69/11/936686911.db2.gz OWIKYOIXDMALIL-RBSFLKMASA-N 2 1 279.428 1.674 10 30 CDEEMP C#CC[NH2+]C1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001486467593 921042026 /nfs/dbraw/zinc/04/20/26/921042026.db2.gz STKFMWBEOKUUAO-SLTAFYQDSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH+]1CC=C(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001486519614 921095976 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C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001491943921 955538099 /nfs/dbraw/zinc/53/80/99/955538099.db2.gz UJGKLZQPZVVPDG-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@H+](C)CCC ZINC001493768738 972112349 /nfs/dbraw/zinc/11/23/49/972112349.db2.gz AZIBNASSIYAUNI-UHFFFAOYSA-N 2 1 261.797 1.129 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001330665970 956554161 /nfs/dbraw/zinc/55/41/61/956554161.db2.gz BWNQOGILCZBBET-YHUYYLMFSA-N 2 1 289.423 1.121 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001316875392 956864381 /nfs/dbraw/zinc/86/43/81/956864381.db2.gz AAOOOWLYCSYHGR-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001331211423 956888652 /nfs/dbraw/zinc/88/86/52/956888652.db2.gz JZOWUMNCDDLFTI-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331293161 956951059 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C=CCCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317067058 957240345 /nfs/dbraw/zinc/24/03/45/957240345.db2.gz KYYLQMSPLKBIMQ-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317177400 957322030 /nfs/dbraw/zinc/32/20/30/957322030.db2.gz UOAWWVAKQDHHMH-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317177400 957322034 /nfs/dbraw/zinc/32/20/34/957322034.db2.gz UOAWWVAKQDHHMH-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317177400 957322047 /nfs/dbraw/zinc/32/20/47/957322047.db2.gz UOAWWVAKQDHHMH-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001494722618 972296833 /nfs/dbraw/zinc/29/68/33/972296833.db2.gz SEYYVBGHKAPWEV-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001318169728 957951403 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C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001418757176 960989761 /nfs/dbraw/zinc/98/97/61/960989761.db2.gz XFSOMOATACZUQE-QWHCGFSZSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001418757176 960989764 /nfs/dbraw/zinc/98/97/64/960989764.db2.gz XFSOMOATACZUQE-QWHCGFSZSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001441216540 964422691 /nfs/dbraw/zinc/42/26/91/964422691.db2.gz OWGXHZRKKNJFAY-ZDUSSCGKSA-N 2 1 296.802 1.428 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC001522417816 970430765 /nfs/dbraw/zinc/43/07/65/970430765.db2.gz MHDGFOITZDHZIH-MJBXVCDLSA-N 2 1 265.401 1.365 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001569638814 1169947996 /nfs/dbraw/zinc/94/79/96/1169947996.db2.gz HUSOPYYDHHBOHT-UKRRQHHQSA-N 2 1 285.407 1.433 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001371832339 972651946 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CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001507418735 975461530 /nfs/dbraw/zinc/46/15/30/975461530.db2.gz JCJUQXXXVLZWAE-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001379391431 975817638 /nfs/dbraw/zinc/81/76/38/975817638.db2.gz YHLFBTHSKXKEID-SNVBAGLBSA-N 2 1 270.764 1.038 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001393899278 977954364 /nfs/dbraw/zinc/95/43/64/977954364.db2.gz NXLWJSRNMCHDOU-UHFFFAOYSA-N 2 1 299.846 1.708 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001674140669 1173917493 /nfs/dbraw/zinc/91/74/93/1173917493.db2.gz HWBLMUIJBPXJQN-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001675478694 1174118793 /nfs/dbraw/zinc/11/87/93/1174118793.db2.gz CKKAVMZKMTUGOX-GJZGRUSLSA-N 2 1 293.455 1.423 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\Cl ZINC001676365583 1174216178 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C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571559979 1170477397 /nfs/dbraw/zinc/47/73/97/1170477397.db2.gz PGZGWURFTVXOQG-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438188 342906139 /nfs/dbraw/zinc/90/61/39/342906139.db2.gz RECYTKGXHSZRRN-RDBSUJKOSA-N 2 1 280.416 1.196 10 30 CDEEMP Cc1cc(C#N)cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000596361113 343310611 /nfs/dbraw/zinc/31/06/11/343310611.db2.gz JALMKGSIYMZZDK-AWEZNQCLSA-N 2 1 289.427 1.946 10 30 CDEEMP Cc1cc(C#N)cc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596361113 343310614 /nfs/dbraw/zinc/31/06/14/343310614.db2.gz JALMKGSIYMZZDK-AWEZNQCLSA-N 2 1 289.427 1.946 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000106335540 357243657 /nfs/dbraw/zinc/24/36/57/357243657.db2.gz FURWAXKMPSUXCA-HNNXBMFYSA-N 2 1 294.443 1.420 10 30 CDEEMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1C#N ZINC000234926998 359006939 /nfs/dbraw/zinc/00/69/39/359006939.db2.gz WSRZJLAPXVXMJF-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1C#N ZINC000234926998 359006946 /nfs/dbraw/zinc/00/69/46/359006946.db2.gz WSRZJLAPXVXMJF-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1C#N ZINC000234926998 359006953 /nfs/dbraw/zinc/00/69/53/359006953.db2.gz WSRZJLAPXVXMJF-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1C#N ZINC000234926998 359006957 /nfs/dbraw/zinc/00/69/57/359006957.db2.gz WSRZJLAPXVXMJF-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001660823194 1172284499 /nfs/dbraw/zinc/28/44/99/1172284499.db2.gz ZESDMKIKDGIFEC-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001660823194 1172284503 /nfs/dbraw/zinc/28/45/03/1172284503.db2.gz ZESDMKIKDGIFEC-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001660823194 1172284492 /nfs/dbraw/zinc/28/44/92/1172284492.db2.gz ZESDMKIKDGIFEC-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528475009 367854409 /nfs/dbraw/zinc/85/44/09/367854409.db2.gz JTOGRKQJNIJKRP-ZIAGYGMSSA-N 2 1 265.401 1.457 10 30 CDEEMP C=C(CC)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000358619717 367821772 /nfs/dbraw/zinc/82/17/72/367821772.db2.gz ICABYTKZWMVZTL-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001661747580 1172437346 /nfs/dbraw/zinc/43/73/46/1172437346.db2.gz BTIDPKLMQNFPNQ-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247458421 377120247 /nfs/dbraw/zinc/12/02/47/377120247.db2.gz PLSRNMDAGQDQTG-HOCLYGCPSA-N 2 1 284.444 1.338 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001662350853 1172533849 /nfs/dbraw/zinc/53/38/49/1172533849.db2.gz NYDGPPRGGSKXDX-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)C(C)C ZINC001664539467 1172866900 /nfs/dbraw/zinc/86/69/00/1172866900.db2.gz OTKTYCDWFXWNAT-UHFFFAOYSA-N 2 1 295.471 1.814 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001664539467 1172866903 /nfs/dbraw/zinc/86/69/03/1172866903.db2.gz OTKTYCDWFXWNAT-UHFFFAOYSA-N 2 1 295.471 1.814 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC[NH2+]1 ZINC000662682245 413306590 /nfs/dbraw/zinc/30/65/90/413306590.db2.gz OYUDYHLYTUNPEM-SQWLQELKSA-N 2 1 277.412 1.428 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001665787791 1173060250 /nfs/dbraw/zinc/06/02/50/1173060250.db2.gz JSZJYRSUZIZXEE-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189130 176064276 /nfs/dbraw/zinc/06/42/76/176064276.db2.gz SFFSEPVDDJCZIN-HOCLYGCPSA-N 2 1 273.380 1.475 10 30 CDEEMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071189130 176064277 /nfs/dbraw/zinc/06/42/77/176064277.db2.gz SFFSEPVDDJCZIN-HOCLYGCPSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071189130 176064278 /nfs/dbraw/zinc/06/42/78/176064278.db2.gz SFFSEPVDDJCZIN-HOCLYGCPSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071189130 176064279 /nfs/dbraw/zinc/06/42/79/176064279.db2.gz SFFSEPVDDJCZIN-HOCLYGCPSA-N 2 1 273.380 1.475 10 30 CDEEMP CN(Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071190481 176066334 /nfs/dbraw/zinc/06/63/34/176066334.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 2 1 289.398 1.519 10 30 CDEEMP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071190481 176066335 /nfs/dbraw/zinc/06/63/35/176066335.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 3 1 289.398 1.519 10 30 CDEEMP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071190481 176066336 /nfs/dbraw/zinc/06/63/36/176066336.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 3 1 289.398 1.519 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071190481 176066337 /nfs/dbraw/zinc/06/63/37/176066337.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 3 1 289.398 1.519 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CC[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071190481 176066338 /nfs/dbraw/zinc/06/63/38/176066338.db2.gz XXQRROUCCSZJDP-AWEZNQCLSA-N 3 1 289.398 1.519 10 30 CDEEMP CN(C)C(=[NH2+])NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000162455861 262330508 /nfs/dbraw/zinc/33/05/08/262330508.db2.gz PNCQUUBPTDAKGC-MRXNPFEDSA-N 2 1 274.412 1.917 10 30 CDEEMP Cc1nccc(N2CC[NH+]([C@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000294638151 263165474 /nfs/dbraw/zinc/16/54/74/263165474.db2.gz PTPLZRYSDSZWIT-KBPBESRZSA-N 2 1 271.368 1.599 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668215207 1173382849 /nfs/dbraw/zinc/38/28/49/1173382849.db2.gz YFSBCOKQKUWHEF-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001673445465 1173857441 /nfs/dbraw/zinc/85/74/41/1173857441.db2.gz IRQIILKHOWTDIZ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261889089 329988088 /nfs/dbraw/zinc/98/80/88/329988088.db2.gz GGPFSYHQCGSFCQ-BFHYXJOUSA-N 2 1 270.442 1.652 10 30 CDEEMP Cc1cccc(NC(=[NH2+])N[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000262449459 330013765 /nfs/dbraw/zinc/01/37/65/330013765.db2.gz DXOUDTURCWDQGO-ZDUSSCGKSA-N 2 1 269.352 1.933 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725495097 1159245818 /nfs/dbraw/zinc/24/58/18/1159245818.db2.gz LPLWVMGDKWPPLX-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267439580 1159377249 /nfs/dbraw/zinc/37/72/49/1159377249.db2.gz NQGMKLUIZIOJIZ-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268016153 1159649204 /nfs/dbraw/zinc/64/92/04/1159649204.db2.gz ZRTXNXVDLXFRJJ-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320224 1160900291 /nfs/dbraw/zinc/90/02/91/1160900291.db2.gz SNGZLNLUMZTHBC-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483320224 1160900298 /nfs/dbraw/zinc/90/02/98/1160900298.db2.gz SNGZLNLUMZTHBC-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483320224 1160900302 /nfs/dbraw/zinc/90/03/02/1160900302.db2.gz SNGZLNLUMZTHBC-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C1CCCC1 ZINC001484011987 1161245790 /nfs/dbraw/zinc/24/57/90/1161245790.db2.gz FVDMZQCPKWPLCI-HNNXBMFYSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713411629 1178543923 /nfs/dbraw/zinc/54/39/23/1178543923.db2.gz MHFLLPCFHHBMIW-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714677427 1179318922 /nfs/dbraw/zinc/31/89/22/1179318922.db2.gz TUQLHVJXOLUCEF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715682283 1179763072 /nfs/dbraw/zinc/76/30/72/1179763072.db2.gz JUPCUYJQYYUHNO-YPMHNXCESA-N 2 1 287.835 1.565 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001716012601 1179986462 /nfs/dbraw/zinc/98/64/62/1179986462.db2.gz JSDOAJADOUTAFM-UHFFFAOYSA-N 2 1 279.428 1.276 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)c1sccc1C[NH+](C)C ZINC001731772774 1182565743 /nfs/dbraw/zinc/56/57/43/1182565743.db2.gz MMKIOEKQUYZRCU-UHFFFAOYSA-N 2 1 281.425 1.657 10 30 CDEEMP C=C(C)C[N@H+](CC)CCn1cc(C[NH2+]CC)nn1 ZINC000052423415 518599849 /nfs/dbraw/zinc/59/98/49/518599849.db2.gz IVJARACEHRHIBP-UHFFFAOYSA-N 2 1 251.378 1.286 10 30 CDEEMP CC(C)N[C@@](C)(C#N)C[C@H](C)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000068616321 519735678 /nfs/dbraw/zinc/73/56/78/519735678.db2.gz JLHFNHVMLRTBMY-ARFHVFGLSA-N 2 1 280.460 1.929 10 30 CDEEMP CC(C)N[C@@](C)(C#N)C[C@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616321 519735673 /nfs/dbraw/zinc/73/56/73/519735673.db2.gz JLHFNHVMLRTBMY-ARFHVFGLSA-N 2 1 280.460 1.929 10 30 CDEEMP CC(C)N[C@@](C)(C#N)C[C@H](C)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616321 519735674 /nfs/dbraw/zinc/73/56/74/519735674.db2.gz JLHFNHVMLRTBMY-ARFHVFGLSA-N 2 1 280.460 1.929 10 30 CDEEMP CC(C)N[C@@](C)(C#N)C[C@H](C)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000068616321 519735676 /nfs/dbraw/zinc/73/56/76/519735676.db2.gz JLHFNHVMLRTBMY-ARFHVFGLSA-N 2 1 280.460 1.929 10 30 CDEEMP CCc1[nH+]ccn1Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049610283 522587145 /nfs/dbraw/zinc/58/71/45/522587145.db2.gz ORTVZMDPEYGVKM-UHFFFAOYSA-N 2 1 269.348 1.813 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000049609816 527146422 /nfs/dbraw/zinc/14/64/22/527146422.db2.gz ADMFXMCUTCUYGB-OAHLLOKOSA-N 2 1 262.328 1.093 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001688888771 1175052800 /nfs/dbraw/zinc/05/28/00/1175052800.db2.gz NRTBIUPFOJLNHU-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[N@H+](CC)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001689925470 1175310764 /nfs/dbraw/zinc/31/07/64/1175310764.db2.gz QHPLJWVGHZCMCF-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001689925470 1175310774 /nfs/dbraw/zinc/31/07/74/1175310774.db2.gz QHPLJWVGHZCMCF-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001689925470 1175310784 /nfs/dbraw/zinc/31/07/84/1175310784.db2.gz QHPLJWVGHZCMCF-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001689925470 1175310790 /nfs/dbraw/zinc/31/07/90/1175310790.db2.gz QHPLJWVGHZCMCF-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690051443 1175358631 /nfs/dbraw/zinc/35/86/31/1175358631.db2.gz AESJJDJQBZVZIJ-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001690051443 1175358637 /nfs/dbraw/zinc/35/86/37/1175358637.db2.gz AESJJDJQBZVZIJ-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690184615 1175398093 /nfs/dbraw/zinc/39/80/93/1175398093.db2.gz PGBLGJUPGZIGFM-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690184615 1175398096 /nfs/dbraw/zinc/39/80/96/1175398096.db2.gz PGBLGJUPGZIGFM-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690184615 1175398101 /nfs/dbraw/zinc/39/81/01/1175398101.db2.gz PGBLGJUPGZIGFM-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618191 613599724 /nfs/dbraw/zinc/59/97/24/613599724.db2.gz QBHOGRPJCCIVSF-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618191 613599725 /nfs/dbraw/zinc/59/97/25/613599725.db2.gz QBHOGRPJCCIVSF-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940618191 613599726 /nfs/dbraw/zinc/59/97/26/613599726.db2.gz QBHOGRPJCCIVSF-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+](C)CCCNCc1cc(C(=O)OC)c(C)[nH]1 ZINC000894863805 619107589 /nfs/dbraw/zinc/10/75/89/619107589.db2.gz UFRNAUZHZYFSBO-UHFFFAOYSA-N 2 1 277.368 1.154 10 30 CDEEMP C#CC[N@H+](C)CCCNCc1cc(C(=O)OC)c(C)[nH]1 ZINC000894863805 619107590 /nfs/dbraw/zinc/10/75/90/619107590.db2.gz UFRNAUZHZYFSBO-UHFFFAOYSA-N 2 1 277.368 1.154 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000900823400 623528428 /nfs/dbraw/zinc/52/84/28/623528428.db2.gz VAHQLROUDNVROH-KGLIPLIRSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@H+](CC)CCC ZINC000900924193 623649273 /nfs/dbraw/zinc/64/92/73/623649273.db2.gz CQUBTAKLOXJLGM-UHFFFAOYSA-N 2 1 255.406 1.342 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000901104595 623887393 /nfs/dbraw/zinc/88/73/93/623887393.db2.gz NCLBMEFKAWIARU-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903769354 626086086 /nfs/dbraw/zinc/08/60/86/626086086.db2.gz DKASZMSUALKBMB-QLFBSQMISA-N 2 1 250.386 1.653 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000911302823 629231490 /nfs/dbraw/zinc/23/14/90/629231490.db2.gz YXIXMZSWBZQMEV-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(CCC)[C@@H]1CC[N@@H+](C)C1 ZINC000911511560 629311631 /nfs/dbraw/zinc/31/16/31/629311631.db2.gz JETJYIJVQCCIKB-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000913005907 630329922 /nfs/dbraw/zinc/32/99/22/630329922.db2.gz JQBYFTNVRXNFDX-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000876984993 630588987 /nfs/dbraw/zinc/58/89/87/630588987.db2.gz RPJZGJWSMTXZAC-NSHDSACASA-N 2 1 275.824 1.693 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741279 1158796683 /nfs/dbraw/zinc/79/66/83/1158796683.db2.gz PJXKAGVMEUVPIL-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691196576 1158954134 /nfs/dbraw/zinc/95/41/34/1158954134.db2.gz ULJDBTIOVWSGAS-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691196576 1158954138 /nfs/dbraw/zinc/95/41/38/1158954138.db2.gz ULJDBTIOVWSGAS-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691196576 1158954140 /nfs/dbraw/zinc/95/41/40/1158954140.db2.gz ULJDBTIOVWSGAS-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001266994233 1159072624 /nfs/dbraw/zinc/07/26/24/1159072624.db2.gz TXAHUMDXKPZANN-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001480878466 1158559545 /nfs/dbraw/zinc/55/95/45/1158559545.db2.gz HDAXEKJWRRCEGM-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001480878466 1158559549 /nfs/dbraw/zinc/55/95/49/1158559549.db2.gz HDAXEKJWRRCEGM-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480878466 1158559553 /nfs/dbraw/zinc/55/95/53/1158559553.db2.gz HDAXEKJWRRCEGM-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CCc2ccccc2)C1 ZINC001266620120 1158701342 /nfs/dbraw/zinc/70/13/42/1158701342.db2.gz MNKWSVHNJKQNAA-QAQDUYKDSA-N 2 1 299.418 1.031 10 30 CDEEMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001691176783 1158945528 /nfs/dbraw/zinc/94/55/28/1158945528.db2.gz AFBUXBFRZFWXJE-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001691176783 1158945524 /nfs/dbraw/zinc/94/55/24/1158945524.db2.gz AFBUXBFRZFWXJE-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001691176783 1158945526 /nfs/dbraw/zinc/94/55/26/1158945526.db2.gz AFBUXBFRZFWXJE-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001691184526 1158949117 /nfs/dbraw/zinc/94/91/17/1158949117.db2.gz OTJJWWYZRQDPAI-LDKKBFSKSA-N 2 1 291.439 1.367 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731651605 1159321298 /nfs/dbraw/zinc/32/12/98/1159321298.db2.gz GCSNMDCRAJQNFP-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001481060515 1159507706 /nfs/dbraw/zinc/50/77/06/1159507706.db2.gz ZWJVNRRHAKWOTG-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001481060515 1159507712 /nfs/dbraw/zinc/50/77/12/1159507712.db2.gz ZWJVNRRHAKWOTG-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001481060515 1159507720 /nfs/dbraw/zinc/50/77/20/1159507720.db2.gz ZWJVNRRHAKWOTG-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001481683047 1159873837 /nfs/dbraw/zinc/87/38/37/1159873837.db2.gz RIXFJRBPIRQQBP-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001481683047 1159873843 /nfs/dbraw/zinc/87/38/43/1159873843.db2.gz RIXFJRBPIRQQBP-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317851607 1164778091 /nfs/dbraw/zinc/77/80/91/1164778091.db2.gz BMFVLKLWUBMIJG-OAHLLOKOSA-N 2 1 295.471 1.931 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC001634127912 1166472697 /nfs/dbraw/zinc/47/26/97/1166472697.db2.gz HQANTOIMANSUKB-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001566528032 1168321331 /nfs/dbraw/zinc/32/13/31/1168321331.db2.gz HAVCZYPKJXOUCW-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001566699346 1168390035 /nfs/dbraw/zinc/39/00/35/1168390035.db2.gz DLGIBBPQTLBCPG-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567333046 1168686658 /nfs/dbraw/zinc/68/66/58/1168686658.db2.gz IHVOFKJJPLLDSR-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001567333046 1168686662 /nfs/dbraw/zinc/68/66/62/1168686662.db2.gz IHVOFKJJPLLDSR-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001567333046 1168686667 /nfs/dbraw/zinc/68/66/67/1168686667.db2.gz IHVOFKJJPLLDSR-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001567510476 1168821941 /nfs/dbraw/zinc/82/19/41/1168821941.db2.gz BCGKNTGSICFHNP-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCCC1 ZINC001567510476 1168821952 /nfs/dbraw/zinc/82/19/52/1168821952.db2.gz BCGKNTGSICFHNP-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568851164 1169518220 /nfs/dbraw/zinc/51/82/20/1169518220.db2.gz YLIMDPPSKQOYSA-LFAOLKIESA-N 2 1 279.428 1.697 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001568858148 1169522634 /nfs/dbraw/zinc/52/26/34/1169522634.db2.gz IQPKBPDQQWBRJL-LQYUOIDQSA-N 2 1 277.412 1.146 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001569562074 1169925196 /nfs/dbraw/zinc/92/51/96/1169925196.db2.gz DDLNERPDWWZXNY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569696236 1169968203 /nfs/dbraw/zinc/96/82/03/1169968203.db2.gz YVZOGGJXHQRRJT-INIZCTEOSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CCC1 ZINC001570106393 1170081579 /nfs/dbraw/zinc/08/15/79/1170081579.db2.gz AQCOTKYVAUTYBE-OAHLLOKOSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570543315 1170185343 /nfs/dbraw/zinc/18/53/43/1170185343.db2.gz GFBJBPDRIDPEIW-HUUCEWRRSA-N 2 1 281.444 1.681 10 30 CDEEMP CC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001570958775 1170322570 /nfs/dbraw/zinc/32/25/70/1170322570.db2.gz QQQOALYSYMYEFV-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001570958775 1170322574 /nfs/dbraw/zinc/32/25/74/1170322574.db2.gz QQQOALYSYMYEFV-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001570958775 1170322580 /nfs/dbraw/zinc/32/25/80/1170322580.db2.gz QQQOALYSYMYEFV-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001571348740 1170377545 /nfs/dbraw/zinc/37/75/45/1170377545.db2.gz NTBWZAIQFAWPLN-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001656176112 1171783973 /nfs/dbraw/zinc/78/39/73/1171783973.db2.gz OTJJWWYZRQDPAI-GEEKYZPCSA-N 2 1 291.439 1.367 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001661678737 1172425991 /nfs/dbraw/zinc/42/59/91/1172425991.db2.gz UHDJFMLFNXBSMC-BETUJISGSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001673397399 1172564434 /nfs/dbraw/zinc/56/44/34/1172564434.db2.gz QQCWCFBHNMABCQ-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001667198276 1173244582 /nfs/dbraw/zinc/24/45/82/1173244582.db2.gz OSGFNOWLXJPJJJ-LSDHHAIUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001669844901 1173619095 /nfs/dbraw/zinc/61/90/95/1173619095.db2.gz HJUSYOLPUSQATQ-CYBMUJFWSA-N 2 1 299.378 1.503 10 30 CDEEMP C#CC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001673079861 1173825857 /nfs/dbraw/zinc/82/58/57/1173825857.db2.gz RQNYREHPJSRAPX-UHFFFAOYSA-N 2 1 299.418 1.246 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001676813610 1174277386 /nfs/dbraw/zinc/27/73/86/1174277386.db2.gz BAFXJEYANWIIMD-DZKIICNBSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001691904725 1175648663 /nfs/dbraw/zinc/64/86/63/1175648663.db2.gz HHSRGWMQPSPNPB-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1CC ZINC001692217888 1175704236 /nfs/dbraw/zinc/70/42/36/1175704236.db2.gz RAWUUBQXHJIPCL-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1CC ZINC001692217888 1175704239 /nfs/dbraw/zinc/70/42/39/1175704239.db2.gz RAWUUBQXHJIPCL-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1CC ZINC001692217888 1175704242 /nfs/dbraw/zinc/70/42/42/1175704242.db2.gz RAWUUBQXHJIPCL-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001698861596 1175967182 /nfs/dbraw/zinc/96/71/82/1175967182.db2.gz QQRCOYXHUGQKHF-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001698963709 1175998251 /nfs/dbraw/zinc/99/82/51/1175998251.db2.gz VPDACCWGEVTVNJ-HNNXBMFYSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001699657225 1176553880 /nfs/dbraw/zinc/55/38/80/1176553880.db2.gz BIDGQPWPWBTWDP-UHFFFAOYSA-N 2 1 262.357 1.006 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001699657849 1176554220 /nfs/dbraw/zinc/55/42/20/1176554220.db2.gz UJWVSCPJLNMXKZ-HNNXBMFYSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001699743903 1176600881 /nfs/dbraw/zinc/60/08/81/1176600881.db2.gz RNYVIEWLLRRNGV-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001700487924 1176978044 /nfs/dbraw/zinc/97/80/44/1176978044.db2.gz OPYQJRZBVVISTB-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001700487924 1176978049 /nfs/dbraw/zinc/97/80/49/1176978049.db2.gz OPYQJRZBVVISTB-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001700487924 1176978055 /nfs/dbraw/zinc/97/80/55/1176978055.db2.gz OPYQJRZBVVISTB-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001700487924 1176978060 /nfs/dbraw/zinc/97/80/60/1176978060.db2.gz OPYQJRZBVVISTB-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001700544923 1177008725 /nfs/dbraw/zinc/00/87/25/1177008725.db2.gz DAJRQYQGUYBQOA-KGLIPLIRSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001700828650 1177152423 /nfs/dbraw/zinc/15/24/23/1177152423.db2.gz LAYVLQAWCNBFCR-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700890560 1177181166 /nfs/dbraw/zinc/18/11/66/1177181166.db2.gz WTQFUOWHBZZRSM-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700898846 1177187341 /nfs/dbraw/zinc/18/73/41/1177187341.db2.gz BROKIDCAVGAGCF-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001707055018 1177929438 /nfs/dbraw/zinc/92/94/38/1177929438.db2.gz PSDYVZVEFFIVMV-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713088266 1178361261 /nfs/dbraw/zinc/36/12/61/1178361261.db2.gz ALWUHQRQQIGLFC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713131911 1178387789 /nfs/dbraw/zinc/38/77/89/1178387789.db2.gz OLQMSNDHRLVSNJ-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713159966 1178404939 /nfs/dbraw/zinc/40/49/39/1178404939.db2.gz AOOGJFWYDAHQIX-ZQDZILKHSA-N 2 1 279.428 1.530 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001713203406 1178429766 /nfs/dbraw/zinc/42/97/66/1178429766.db2.gz LRFDXOISECFBCI-GASCZTMLSA-N 2 1 290.411 1.785 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713219241 1178439069 /nfs/dbraw/zinc/43/90/69/1178439069.db2.gz LXVXLRJMUPACKY-HZPDHXFCSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714107959 1178975609 /nfs/dbraw/zinc/97/56/09/1178975609.db2.gz WJEOVOZUYGHLJC-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714446673 1179143415 /nfs/dbraw/zinc/14/34/15/1179143415.db2.gz VWXAJOWZIIWBJC-JKSUJKDBSA-N 2 1 293.455 1.519 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001714563366 1179220022 /nfs/dbraw/zinc/22/00/22/1179220022.db2.gz GDFMFFQIOPXMBC-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001714563366 1179220030 /nfs/dbraw/zinc/22/00/30/1179220030.db2.gz GDFMFFQIOPXMBC-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001714563366 1179220035 /nfs/dbraw/zinc/22/00/35/1179220035.db2.gz GDFMFFQIOPXMBC-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001714652633 1179298604 /nfs/dbraw/zinc/29/86/04/1179298604.db2.gz CHOFVWHHDHHCMF-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714652633 1179298609 /nfs/dbraw/zinc/29/86/09/1179298609.db2.gz CHOFVWHHDHHCMF-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714652633 1179298613 /nfs/dbraw/zinc/29/86/13/1179298613.db2.gz CHOFVWHHDHHCMF-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001714890347 1179438735 /nfs/dbraw/zinc/43/87/35/1179438735.db2.gz HRTRYIVQPAKTLR-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714890347 1179438738 /nfs/dbraw/zinc/43/87/38/1179438738.db2.gz HRTRYIVQPAKTLR-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714890347 1179438740 /nfs/dbraw/zinc/43/87/40/1179438740.db2.gz HRTRYIVQPAKTLR-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715190466 1179573010 /nfs/dbraw/zinc/57/30/10/1179573010.db2.gz LWRBNHYDBFIGSC-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001715312345 1179618648 /nfs/dbraw/zinc/61/86/48/1179618648.db2.gz SABFGWIDVMTWDT-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C=CC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001715480318 1179677732 /nfs/dbraw/zinc/67/77/32/1179677732.db2.gz DQJJCDWGYPYPCF-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715644153 1179751370 /nfs/dbraw/zinc/75/13/70/1179751370.db2.gz DHEHRDQDDXHCGH-MGPQQGTHSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715682280 1179763297 /nfs/dbraw/zinc/76/32/97/1179763297.db2.gz JUPCUYJQYYUHNO-AAEUAGOBSA-N 2 1 287.835 1.565 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001715775897 1179799984 /nfs/dbraw/zinc/79/99/84/1179799984.db2.gz AIOGBYLHRINUFZ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(C)C ZINC001715830465 1179852504 /nfs/dbraw/zinc/85/25/04/1179852504.db2.gz YPFKKRDZLWBVSZ-KJPDOMRESA-N 2 1 291.439 1.392 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC(C)C ZINC001715830465 1179852517 /nfs/dbraw/zinc/85/25/17/1179852517.db2.gz YPFKKRDZLWBVSZ-KJPDOMRESA-N 2 1 291.439 1.392 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716681386 1180366772 /nfs/dbraw/zinc/36/67/72/1180366772.db2.gz NREDRSDZFZCDLG-CQSZACIVSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001716849017 1180438554 /nfs/dbraw/zinc/43/85/54/1180438554.db2.gz PMRBWQMRVUSBPF-UKRRQHHQSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001716849017 1180438557 /nfs/dbraw/zinc/43/85/57/1180438557.db2.gz PMRBWQMRVUSBPF-UKRRQHHQSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001716849017 1180438561 /nfs/dbraw/zinc/43/85/61/1180438561.db2.gz PMRBWQMRVUSBPF-UKRRQHHQSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716879911 1180451459 /nfs/dbraw/zinc/45/14/59/1180451459.db2.gz BBOGYQJVDCOPGZ-DOTOQJQBSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001716983959 1180492140 /nfs/dbraw/zinc/49/21/40/1180492140.db2.gz AGPSDTVBVLYLMH-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001717369373 1180633813 /nfs/dbraw/zinc/63/38/13/1180633813.db2.gz MBPZYUGLLVUEAW-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001717369373 1180633818 /nfs/dbraw/zinc/63/38/18/1180633818.db2.gz MBPZYUGLLVUEAW-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001717631136 1180764135 /nfs/dbraw/zinc/76/41/35/1180764135.db2.gz NKFWOVIYUKUJRQ-CALCHBBNSA-N 2 1 293.455 1.685 10 30 CDEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001717986020 1180957843 /nfs/dbraw/zinc/95/78/43/1180957843.db2.gz YQZQNJMAIFWISK-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001718026477 1180974558 /nfs/dbraw/zinc/97/45/58/1180974558.db2.gz LGAGEQUAFJCKQN-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001725002901 1181821014 /nfs/dbraw/zinc/82/10/14/1181821014.db2.gz MQVMWRFHWKLDIW-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001725002901 1181821016 /nfs/dbraw/zinc/82/10/16/1181821016.db2.gz MQVMWRFHWKLDIW-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001725002901 1181821019 /nfs/dbraw/zinc/82/10/19/1181821019.db2.gz MQVMWRFHWKLDIW-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001725066127 1181843019 /nfs/dbraw/zinc/84/30/19/1181843019.db2.gz HLEPRIOQLUVXND-UYSNPLJNSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001725074861 1181846848 /nfs/dbraw/zinc/84/68/48/1181846848.db2.gz AHTOQEWQUIIISW-UYSNPLJNSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@H+](C)CC)C[C@@]2(C)C1 ZINC001725347402 1181966674 /nfs/dbraw/zinc/96/66/74/1181966674.db2.gz SWLLFGIJEXARGL-CALCHBBNSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001725347402 1181966678 /nfs/dbraw/zinc/96/66/78/1181966678.db2.gz SWLLFGIJEXARGL-CALCHBBNSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001725347402 1181966684 /nfs/dbraw/zinc/96/66/84/1181966684.db2.gz SWLLFGIJEXARGL-CALCHBBNSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725517561 1182032918 /nfs/dbraw/zinc/03/29/18/1182032918.db2.gz HJIQRLOESNGOMF-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731277584 1182281563 /nfs/dbraw/zinc/28/15/63/1182281563.db2.gz JDGBNLRGHNKMSR-UHFFFAOYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001731536161 1182438412 /nfs/dbraw/zinc/43/84/12/1182438412.db2.gz LPIDGUYETZTZRA-GJZGRUSLSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001732172001 1182831994 /nfs/dbraw/zinc/83/19/94/1182831994.db2.gz WBCGJWWLYISJAF-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001732600858 1183042571 /nfs/dbraw/zinc/04/25/71/1183042571.db2.gz WTKPRCHIHUALNQ-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001732600858 1183042578 /nfs/dbraw/zinc/04/25/78/1183042578.db2.gz WTKPRCHIHUALNQ-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001732600858 1183042586 /nfs/dbraw/zinc/04/25/86/1183042586.db2.gz WTKPRCHIHUALNQ-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001732958822 1183204927 /nfs/dbraw/zinc/20/49/27/1183204927.db2.gz SAPFMKSOPVUYQZ-HIFRSBDPSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC ZINC001732957672 1183205040 /nfs/dbraw/zinc/20/50/40/1183205040.db2.gz BKKDRTBOYPMLDF-KFWWJZLASA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]C[C@H](C)CC ZINC001732957672 1183205046 /nfs/dbraw/zinc/20/50/46/1183205046.db2.gz BKKDRTBOYPMLDF-KFWWJZLASA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001733348373 1183405800 /nfs/dbraw/zinc/40/58/00/1183405800.db2.gz HVKOVXWNSXORJU-JYJNAYRXSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733446291 1183434725 /nfs/dbraw/zinc/43/47/25/1183434725.db2.gz UFUTUJWYTKPQRP-OAHLLOKOSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001733727166 1183510500 /nfs/dbraw/zinc/51/05/00/1183510500.db2.gz YHIJEZFCXUBQSH-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001734044035 1183632508 /nfs/dbraw/zinc/63/25/08/1183632508.db2.gz LSVXENJKSIECJK-CQSZACIVSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001734458137 1183785066 /nfs/dbraw/zinc/78/50/66/1183785066.db2.gz KSDVNGVLNBAZFK-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001734458137 1183785071 /nfs/dbraw/zinc/78/50/71/1183785071.db2.gz KSDVNGVLNBAZFK-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001734458137 1183785073 /nfs/dbraw/zinc/78/50/73/1183785073.db2.gz KSDVNGVLNBAZFK-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP CCOCCC[N@@H+]1CCC(=[NH+]n2cccn2)[C@H](C)C1 ZINC000863165500 743022244 /nfs/dbraw/zinc/02/22/44/743022244.db2.gz BXVCUJSMNUWJLP-CYBMUJFWSA-N 2 1 264.373 1.856 10 30 CDEEMP CCOCCC[N@H+]1CCC(=[NH+]n2cccn2)[C@H](C)C1 ZINC000863165500 743022257 /nfs/dbraw/zinc/02/22/57/743022257.db2.gz BXVCUJSMNUWJLP-CYBMUJFWSA-N 2 1 264.373 1.856 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723665591 745089083 /nfs/dbraw/zinc/08/90/83/745089083.db2.gz ZGVOAPBTSKRCJS-BZUAXINKSA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1 ZINC000723665591 745089090 /nfs/dbraw/zinc/08/90/90/745089090.db2.gz ZGVOAPBTSKRCJS-BZUAXINKSA-N 2 1 264.413 1.736 10 30 CDEEMP CC[N@H+]1CC[C@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303885688 745599762 /nfs/dbraw/zinc/59/97/62/745599762.db2.gz JXYHNKAOSFFKSP-GFCCVEGCSA-N 2 1 280.441 1.537 10 30 CDEEMP CC[NH+](CC)[C@H](C)CNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303889388 746245180 /nfs/dbraw/zinc/24/51/80/746245180.db2.gz LVEZLYJHYTYJSY-KGLIPLIRSA-N 3 1 283.464 1.105 10 30 CDEEMP C[C@@H]1CCCC[N@H+]1CCNC(=[NH2+])N1CCSCC1 ZINC000261989529 746817604 /nfs/dbraw/zinc/81/76/04/746817604.db2.gz LIWYEGCOGKALSS-GFCCVEGCSA-N 2 1 270.446 1.224 10 30 CDEEMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)C[NH+](C)C ZINC000926963528 747180117 /nfs/dbraw/zinc/18/01/17/747180117.db2.gz UVZULPSWICVSHU-MGPQQGTHSA-N 2 1 253.390 1.625 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871156799 747279792 /nfs/dbraw/zinc/27/97/92/747279792.db2.gz NOHQAFFHYZWXKF-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP CC1(C)[NH2+]CC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000925727193 747798138 /nfs/dbraw/zinc/79/81/38/747798138.db2.gz CJBUYQSJEGUAGX-HUUCEWRRSA-N 2 1 255.365 1.756 10 30 CDEEMP N#Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923366240 748383247 /nfs/dbraw/zinc/38/32/47/748383247.db2.gz ILJJJZLBAQMBPI-IRXDYDNUSA-N 2 1 285.391 1.667 10 30 CDEEMP N#Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923366240 748383253 /nfs/dbraw/zinc/38/32/53/748383253.db2.gz ILJJJZLBAQMBPI-IRXDYDNUSA-N 2 1 285.391 1.667 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001275168473 1166660314 /nfs/dbraw/zinc/66/03/14/1166660314.db2.gz XOXJCIYYNHQNBO-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001275168473 1166660319 /nfs/dbraw/zinc/66/03/19/1166660319.db2.gz XOXJCIYYNHQNBO-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001275168473 1166660325 /nfs/dbraw/zinc/66/03/25/1166660325.db2.gz XOXJCIYYNHQNBO-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001566587825 1168346663 /nfs/dbraw/zinc/34/66/63/1168346663.db2.gz UQVNTNYCNQEHDU-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001566587825 1168346666 /nfs/dbraw/zinc/34/66/66/1168346666.db2.gz UQVNTNYCNQEHDU-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001566587825 1168346672 /nfs/dbraw/zinc/34/66/72/1168346672.db2.gz UQVNTNYCNQEHDU-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001567017332 1168511854 /nfs/dbraw/zinc/51/18/54/1168511854.db2.gz YXVOMMAPGCROOI-ZIAGYGMSSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001483693971 912863759 /nfs/dbraw/zinc/86/37/59/912863759.db2.gz JDSQGTWFJILGLY-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480863951 894072095 /nfs/dbraw/zinc/07/20/95/894072095.db2.gz HYLQNHQQDBUBPW-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480863951 894072110 /nfs/dbraw/zinc/07/21/10/894072110.db2.gz HYLQNHQQDBUBPW-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001480863951 894072130 /nfs/dbraw/zinc/07/21/30/894072130.db2.gz HYLQNHQQDBUBPW-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001266347265 894486789 /nfs/dbraw/zinc/48/67/89/894486789.db2.gz JVFSQRKNKDPBRU-UHFFFAOYSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001266731035 895931264 /nfs/dbraw/zinc/93/12/64/895931264.db2.gz OTZJDNFWLJHELJ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001496114898 896267772 /nfs/dbraw/zinc/26/77/72/896267772.db2.gz AFHBDTUTSYBUAK-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001266947831 896413148 /nfs/dbraw/zinc/41/31/48/896413148.db2.gz BOVABXYDQMNEPP-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC=C(C)C ZINC001266947831 896413152 /nfs/dbraw/zinc/41/31/52/896413152.db2.gz BOVABXYDQMNEPP-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001480995528 898447931 /nfs/dbraw/zinc/44/79/31/898447931.db2.gz UFBJFYQXZYGDQK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001480995528 898447937 /nfs/dbraw/zinc/44/79/37/898447937.db2.gz 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901105443 /nfs/dbraw/zinc/10/54/43/901105443.db2.gz TYEFWOQPWPBUIN-KGLIPLIRSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001268142483 901396937 /nfs/dbraw/zinc/39/69/37/901396937.db2.gz QKFGYINUAPSGNY-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297451 903667661 /nfs/dbraw/zinc/66/76/61/903667661.db2.gz YRPJOUFFGGPWLY-HOTGVXAUSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297451 903667666 /nfs/dbraw/zinc/66/76/66/903667666.db2.gz YRPJOUFFGGPWLY-HOTGVXAUSA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001269345331 903720071 /nfs/dbraw/zinc/72/00/71/903720071.db2.gz OHCOPYYBIFMACK-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001269345331 903720078 /nfs/dbraw/zinc/72/00/78/903720078.db2.gz OHCOPYYBIFMACK-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001269345331 903720088 /nfs/dbraw/zinc/72/00/88/903720088.db2.gz OHCOPYYBIFMACK-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001269345331 903720095 /nfs/dbraw/zinc/72/00/95/903720095.db2.gz OHCOPYYBIFMACK-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001269740203 904077247 /nfs/dbraw/zinc/07/72/47/904077247.db2.gz BWYMHZDZMUZZDQ-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269740203 904077263 /nfs/dbraw/zinc/07/72/63/904077263.db2.gz BWYMHZDZMUZZDQ-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001269740203 904077280 /nfs/dbraw/zinc/07/72/80/904077280.db2.gz BWYMHZDZMUZZDQ-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001270121206 904378665 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C#CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001271675195 906588063 /nfs/dbraw/zinc/58/80/63/906588063.db2.gz DNSJHOIFIXLRAM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001271720702 906632645 /nfs/dbraw/zinc/63/26/45/906632645.db2.gz FLHIYKJPGUYSOW-GJZGRUSLSA-N 2 1 279.428 1.034 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001568034164 1169125197 /nfs/dbraw/zinc/12/51/97/1169125197.db2.gz MRZVACXQHNWYMM-OAHLLOKOSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCC1 ZINC001483348859 910951913 /nfs/dbraw/zinc/95/19/13/910951913.db2.gz BSLAZBKHQMPUIV-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC1CCC1 ZINC001483348859 910951929 /nfs/dbraw/zinc/95/19/29/910951929.db2.gz BSLAZBKHQMPUIV-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCC1 ZINC001483348859 910951941 /nfs/dbraw/zinc/95/19/41/910951941.db2.gz BSLAZBKHQMPUIV-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCC1 ZINC001483348859 910951955 /nfs/dbraw/zinc/95/19/55/910951955.db2.gz BSLAZBKHQMPUIV-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001483848714 915110078 /nfs/dbraw/zinc/11/00/78/915110078.db2.gz ZMVPKROIYCEFIS-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001483848714 915110087 /nfs/dbraw/zinc/11/00/87/915110087.db2.gz ZMVPKROIYCEFIS-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001483848714 915110096 /nfs/dbraw/zinc/11/00/96/915110096.db2.gz ZMVPKROIYCEFIS-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484048935 915352824 /nfs/dbraw/zinc/35/28/24/915352824.db2.gz YBEQOVFHQPVTEB-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484048935 915352843 /nfs/dbraw/zinc/35/28/43/915352843.db2.gz YBEQOVFHQPVTEB-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484048935 915352860 /nfs/dbraw/zinc/35/28/60/915352860.db2.gz YBEQOVFHQPVTEB-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001484727519 916085290 /nfs/dbraw/zinc/08/52/90/916085290.db2.gz SUSWQMNUDOWDBL-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484727519 916085303 /nfs/dbraw/zinc/08/53/03/916085303.db2.gz SUSWQMNUDOWDBL-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484727519 916085325 /nfs/dbraw/zinc/08/53/25/916085325.db2.gz SUSWQMNUDOWDBL-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484910897 916261588 /nfs/dbraw/zinc/26/15/88/916261588.db2.gz YLCNVHDUYDHLMV-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001484978295 916356983 /nfs/dbraw/zinc/35/69/83/916356983.db2.gz JKTSWIJUJKWZPG-KBPBESRZSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001484993877 916377688 /nfs/dbraw/zinc/37/76/88/916377688.db2.gz OUIDYEZHXGQMRM-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001568197181 1169172392 /nfs/dbraw/zinc/17/23/92/1169172392.db2.gz OEVMRTHJUYZVEY-CQSZACIVSA-N 2 1 290.411 1.372 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001485428112 916974557 /nfs/dbraw/zinc/97/45/57/916974557.db2.gz IFYXTRUDYUBFHM-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485747295 917253078 /nfs/dbraw/zinc/25/30/78/917253078.db2.gz APHXZIHVUYSVDP-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 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CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001329515258 955960557 /nfs/dbraw/zinc/96/05/57/955960557.db2.gz LNYVIYQKMDLALP-ZNMIVQPWSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001329515258 955960564 /nfs/dbraw/zinc/96/05/64/955960564.db2.gz LNYVIYQKMDLALP-ZNMIVQPWSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001480680873 956504267 /nfs/dbraw/zinc/50/42/67/956504267.db2.gz YTRSULRFEQSKIW-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316906439 957112579 /nfs/dbraw/zinc/11/25/79/957112579.db2.gz BKKMSKBQRJZGOT-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC2C[NH+](CCCCC)C2)CC1 ZINC001494507916 972244645 /nfs/dbraw/zinc/24/46/45/972244645.db2.gz TYZABZAZWBWLIV-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001317216899 957349258 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10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001496370962 972901031 /nfs/dbraw/zinc/90/10/31/972901031.db2.gz XEMAPZPNLGMOBR-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569696237 1169967978 /nfs/dbraw/zinc/96/79/78/1169967978.db2.gz YVZOGGJXHQRRJT-MRXNPFEDSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505456052 974886107 /nfs/dbraw/zinc/88/61/07/974886107.db2.gz NQJWWOZJBIURJH-HNNXBMFYSA-N 2 1 291.439 1.581 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001506894973 975249492 /nfs/dbraw/zinc/24/94/92/975249492.db2.gz XIBDHTRTEGQXKN-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507028626 975300493 /nfs/dbraw/zinc/30/04/93/975300493.db2.gz RUWRKNQSAMXYOU-ZBFHGGJFSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001507160758 975358607 /nfs/dbraw/zinc/35/86/07/975358607.db2.gz FSAXTOCXEBKNHX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001378498079 975366549 /nfs/dbraw/zinc/36/65/49/975366549.db2.gz REEZXLRBGQESAT-ZIAGYGMSSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001507329565 975418688 /nfs/dbraw/zinc/41/86/88/975418688.db2.gz WAFCHPNEFXZRBL-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001403023245 976665938 /nfs/dbraw/zinc/66/59/38/976665938.db2.gz PLYIUJQKUMHSDX-RYUDHWBXSA-N 2 1 284.791 1.427 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001571363617 1170386859 /nfs/dbraw/zinc/38/68/59/1170386859.db2.gz IALOQDTUGYEWJS-HNNXBMFYSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571559981 1170478027 /nfs/dbraw/zinc/47/80/27/1170478027.db2.gz PGZGWURFTVXOQG-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP N#Cc1cnccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000592494256 342696669 /nfs/dbraw/zinc/69/66/69/342696669.db2.gz OIEKELLMSPEWGH-KBPBESRZSA-N 2 1 270.380 1.775 10 30 CDEEMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437382 342905790 /nfs/dbraw/zinc/90/57/90/342905790.db2.gz BQZMJVUBGZMKCG-HZSPNIEDSA-N 2 1 280.416 1.339 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000644549046 366167092 /nfs/dbraw/zinc/16/70/92/366167092.db2.gz HOQNWXHIOUKTQN-CQSZACIVSA-N 2 1 256.390 1.012 10 30 CDEEMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528475005 367854845 /nfs/dbraw/zinc/85/48/45/367854845.db2.gz JTOGRKQJNIJKRP-KBPBESRZSA-N 2 1 265.401 1.457 10 30 CDEEMP COc1c[nH+]ccc1N1CC[NH+](CCCCC#N)CC1 ZINC000361517420 368866905 /nfs/dbraw/zinc/86/69/05/368866905.db2.gz CTQJBGQCDZRISK-UHFFFAOYSA-N 2 1 274.368 1.906 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001661437017 1172390275 /nfs/dbraw/zinc/39/02/75/1172390275.db2.gz WUAYIOUKPGBKKV-KLHDSHLOSA-N 2 1 291.439 1.816 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2c1 ZINC000369479855 374354834 /nfs/dbraw/zinc/35/48/34/374354834.db2.gz GAIKVQOHDYMWIO-HUUCEWRRSA-N 2 1 295.390 1.922 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000369479855 374354839 /nfs/dbraw/zinc/35/48/39/374354839.db2.gz GAIKVQOHDYMWIO-HUUCEWRRSA-N 2 1 295.390 1.922 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001661881345 1172462262 /nfs/dbraw/zinc/46/22/62/1172462262.db2.gz WCEXCXPRUFISQE-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001661881345 1172462267 /nfs/dbraw/zinc/46/22/67/1172462267.db2.gz WCEXCXPRUFISQE-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001661881345 1172462273 /nfs/dbraw/zinc/46/22/73/1172462273.db2.gz WCEXCXPRUFISQE-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001661881345 1172462254 /nfs/dbraw/zinc/46/22/54/1172462254.db2.gz WCEXCXPRUFISQE-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCOc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000647872220 391120039 /nfs/dbraw/zinc/12/00/39/391120039.db2.gz IEFUANMUKAYAEM-UHFFFAOYSA-N 2 1 264.369 1.659 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663603933 1172733127 /nfs/dbraw/zinc/73/31/27/1172733127.db2.gz SBCQCZYTQXNOIX-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663603933 1172733130 /nfs/dbraw/zinc/73/31/30/1172733130.db2.gz SBCQCZYTQXNOIX-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634078 1172737296 /nfs/dbraw/zinc/73/72/96/1172737296.db2.gz NUMYMQYROSOADH-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)CCC=C ZINC001663988790 1172797471 /nfs/dbraw/zinc/79/74/71/1172797471.db2.gz MIQHFASGYMELSM-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)CCC=C ZINC001663988790 1172797476 /nfs/dbraw/zinc/79/74/76/1172797476.db2.gz MIQHFASGYMELSM-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662694945 413328086 /nfs/dbraw/zinc/32/80/86/413328086.db2.gz FAOVEBTXLQPOPD-ZMSDIMECSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662712829 413365231 /nfs/dbraw/zinc/36/52/31/413365231.db2.gz LQRBOKBBWXXTRD-DOMZBBRYSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2CC)CCC[NH2+]1 ZINC000662717094 413372694 /nfs/dbraw/zinc/37/26/94/413372694.db2.gz XEEAFSCDABFTCW-GDBMZVCRSA-N 2 1 279.428 1.675 10 30 CDEEMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000044560319 175203887 /nfs/dbraw/zinc/20/38/87/175203887.db2.gz UEQHMDBYOZHBQT-LBPRGKRZSA-N 2 1 291.420 1.130 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#CC[NH3+])s1 ZINC000044566232 175208177 /nfs/dbraw/zinc/20/81/77/175208177.db2.gz HTANEZXLZPLRGL-GFCCVEGCSA-N 2 1 291.420 1.272 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001666259068 1173121999 /nfs/dbraw/zinc/12/19/99/1173121999.db2.gz KHBSCYWEHWXFLK-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001666314476 1173125902 /nfs/dbraw/zinc/12/59/02/1173125902.db2.gz HCFOVRLXFKOKBG-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@H]23)CCC[NH2+]1 ZINC000662688289 424319286 /nfs/dbraw/zinc/31/92/86/424319286.db2.gz NTXMNZWAWOXYJQ-SQWLQELKSA-N 2 1 277.412 1.428 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001673390921 1173853373 /nfs/dbraw/zinc/85/33/73/1173853373.db2.gz IRRBLMWXWSOYRM-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000177491096 329184603 /nfs/dbraw/zinc/18/46/03/329184603.db2.gz PLSRNMDAGQDQTG-GOEBONIOSA-N 2 1 284.444 1.338 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262473021 330015853 /nfs/dbraw/zinc/01/58/53/330015853.db2.gz BQFYQZINWIGTDY-CHWSQXEVSA-N 2 1 252.406 1.434 10 30 CDEEMP [NH2+]=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)NC1CC1 ZINC000262778284 330030829 /nfs/dbraw/zinc/03/08/29/330030829.db2.gz IOOLJJZWNKIZQJ-CQSZACIVSA-N 2 1 264.417 1.850 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267220655 1159186280 /nfs/dbraw/zinc/18/62/80/1159186280.db2.gz ASZVGMVBWXYNAY-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001267220655 1159186282 /nfs/dbraw/zinc/18/62/82/1159186282.db2.gz ASZVGMVBWXYNAY-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001267220655 1159186286 /nfs/dbraw/zinc/18/62/86/1159186286.db2.gz ASZVGMVBWXYNAY-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267220655 1159186291 /nfs/dbraw/zinc/18/62/91/1159186291.db2.gz ASZVGMVBWXYNAY-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481115313 1159531015 /nfs/dbraw/zinc/53/10/15/1159531015.db2.gz WLORIMZXDZKEJH-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]C(C)C)C1 ZINC001733427235 1161411769 /nfs/dbraw/zinc/41/17/69/1161411769.db2.gz OUCPQPJBUVVMOY-RDJZCZTQSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]C(C)C)C1 ZINC001733427235 1161411773 /nfs/dbraw/zinc/41/17/73/1161411773.db2.gz OUCPQPJBUVVMOY-RDJZCZTQSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725184718 1181911859 /nfs/dbraw/zinc/91/18/59/1181911859.db2.gz AATSBPXSOVGGCW-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725184718 1181911864 /nfs/dbraw/zinc/91/18/64/1181911864.db2.gz AATSBPXSOVGGCW-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725184718 1181911866 /nfs/dbraw/zinc/91/18/66/1181911866.db2.gz AATSBPXSOVGGCW-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001725177807 1181908129 /nfs/dbraw/zinc/90/81/29/1181908129.db2.gz LUIFPPUPCKNIRG-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609581 522218840 /nfs/dbraw/zinc/21/88/40/522218840.db2.gz ZZDKYHPUPFAVOR-GFCCVEGCSA-N 2 1 264.344 1.603 10 30 CDEEMP COCC[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609873 523623469 /nfs/dbraw/zinc/62/34/69/523623469.db2.gz KAQARJSQMUSWLK-UHFFFAOYSA-N 2 1 262.353 1.084 10 30 CDEEMP COc1ccc(C[N@@H+](C)[C@@H]2CCSC2)cc1C#CC[NH3+] ZINC000049609001 524009500 /nfs/dbraw/zinc/00/95/00/524009500.db2.gz OVRYAEMUZRYEMG-OAHLLOKOSA-N 2 1 290.432 1.943 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CO ZINC000049609769 527148652 /nfs/dbraw/zinc/14/86/52/527148652.db2.gz SIRHVQBDZQRSMY-HNNXBMFYSA-N 2 1 262.328 1.093 10 30 CDEEMP [NH3+]CC#Cc1cccc(OCC[N@H+]2CCCSCC2)c1 ZINC000049609941 527153654 /nfs/dbraw/zinc/15/36/54/527153654.db2.gz CAIGYXIHVZTWDL-UHFFFAOYSA-N 2 1 290.432 1.815 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](CCC)C1 ZINC000876973315 630587676 /nfs/dbraw/zinc/58/76/76/630587676.db2.gz DCXJPJSZWSAVKP-QWRGUYRKSA-N 2 1 259.781 1.057 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317327 1175434644 /nfs/dbraw/zinc/43/46/44/1175434644.db2.gz GBFXZXZXAKHHGN-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)(C)C1 ZINC000940843113 613745489 /nfs/dbraw/zinc/74/54/89/613745489.db2.gz XGVYHMRFFSENNV-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843113 613745493 /nfs/dbraw/zinc/74/54/93/613745493.db2.gz XGVYHMRFFSENNV-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843113 613745496 /nfs/dbraw/zinc/74/54/96/613745496.db2.gz XGVYHMRFFSENNV-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216886 622809397 /nfs/dbraw/zinc/80/93/97/622809397.db2.gz YONCXXBGLZSICW-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000900343824 622918666 /nfs/dbraw/zinc/91/86/66/622918666.db2.gz HJXVSCZNPNLGQJ-DZGCQCFKSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691052513 1158840784 /nfs/dbraw/zinc/84/07/84/1158840784.db2.gz SGLVBPDAGVAXGO-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691052513 1158840795 /nfs/dbraw/zinc/84/07/95/1158840795.db2.gz SGLVBPDAGVAXGO-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691052513 1158840808 /nfs/dbraw/zinc/84/08/08/1158840808.db2.gz SGLVBPDAGVAXGO-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001691058560 1158854228 /nfs/dbraw/zinc/85/42/28/1158854228.db2.gz NNKRQVVCNURUPO-CQSZACIVSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001691058560 1158854240 /nfs/dbraw/zinc/85/42/40/1158854240.db2.gz NNKRQVVCNURUPO-CQSZACIVSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691058560 1158854254 /nfs/dbraw/zinc/85/42/54/1158854254.db2.gz NNKRQVVCNURUPO-CQSZACIVSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691058560 1158854266 /nfs/dbraw/zinc/85/42/66/1158854266.db2.gz NNKRQVVCNURUPO-CQSZACIVSA-N 2 1 281.444 1.683 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567192509 1168614201 /nfs/dbraw/zinc/61/42/01/1168614201.db2.gz BGHPVCGJVKDQDK-HNNXBMFYSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001567253039 1168642327 /nfs/dbraw/zinc/64/23/27/1168642327.db2.gz BIHRXMBRSSNYRE-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001569223659 1169726860 /nfs/dbraw/zinc/72/68/60/1169726860.db2.gz KRRSFPCVBWVSIL-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001569258071 1169738367 /nfs/dbraw/zinc/73/83/67/1169738367.db2.gz PYGCLZXPULIZCG-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001571565592 1170479336 /nfs/dbraw/zinc/47/93/36/1170479336.db2.gz CFGCHTMBHVAQJF-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001667007451 1173221585 /nfs/dbraw/zinc/22/15/85/1173221585.db2.gz AZRFNPUSKZOBCP-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673392183 1173850629 /nfs/dbraw/zinc/85/06/29/1173850629.db2.gz WYOZCZGHEYMVBL-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001675343327 1174105527 /nfs/dbraw/zinc/10/55/27/1174105527.db2.gz NKBXDFJGBWHJEU-HIFRSBDPSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001688967481 1175077760 /nfs/dbraw/zinc/07/77/60/1175077760.db2.gz WETSQHHTGBNBHU-ARFHVFGLSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001690392354 1175459043 /nfs/dbraw/zinc/45/90/43/1175459043.db2.gz VRHSAVGGRNIOOQ-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001692223307 1175705889 /nfs/dbraw/zinc/70/58/89/1175705889.db2.gz CKOJZSXQCSXABT-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692352001 1175746323 /nfs/dbraw/zinc/74/63/23/1175746323.db2.gz JCPGVJNQMVMSHX-MRXNPFEDSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001698969025 1176000528 /nfs/dbraw/zinc/00/05/28/1176000528.db2.gz VHFQPBNQNKBAGC-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001699362485 1176318211 /nfs/dbraw/zinc/31/82/11/1176318211.db2.gz AILUYPIJNRBMJF-KGLIPLIRSA-N 2 1 290.411 1.514 10 30 CDEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001699876482 1176666173 /nfs/dbraw/zinc/66/61/73/1176666173.db2.gz ZDBWQIVBCOHXJS-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001699876482 1176666181 /nfs/dbraw/zinc/66/61/81/1176666181.db2.gz ZDBWQIVBCOHXJS-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001699876482 1176666187 /nfs/dbraw/zinc/66/61/87/1176666187.db2.gz ZDBWQIVBCOHXJS-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001701024907 1177243563 /nfs/dbraw/zinc/24/35/63/1177243563.db2.gz JPKWGUZETFILDN-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001701029310 1177245708 /nfs/dbraw/zinc/24/57/08/1177245708.db2.gz IGUQXMGCUSNAGQ-IYXRBSQSSA-N 2 1 265.401 1.093 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707417037 1178032234 /nfs/dbraw/zinc/03/22/34/1178032234.db2.gz DDDFYVKJJKCYNU-ZDUSSCGKSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707417037 1178032244 /nfs/dbraw/zinc/03/22/44/1178032244.db2.gz DDDFYVKJJKCYNU-ZDUSSCGKSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001707417037 1178032254 /nfs/dbraw/zinc/03/22/54/1178032254.db2.gz DDDFYVKJJKCYNU-ZDUSSCGKSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001707417037 1178032264 /nfs/dbraw/zinc/03/22/64/1178032264.db2.gz DDDFYVKJJKCYNU-ZDUSSCGKSA-N 2 1 287.835 1.519 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC1 ZINC001707481047 1178075633 /nfs/dbraw/zinc/07/56/33/1178075633.db2.gz QVTLNBSFFVHMRB-ZIAGYGMSSA-N 2 1 288.395 1.670 10 30 CDEEMP C=CC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001713052723 1178331441 /nfs/dbraw/zinc/33/14/41/1178331441.db2.gz IRIXUWXFSOWUMB-OAHLLOKOSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001713223610 1178441164 /nfs/dbraw/zinc/44/11/64/1178441164.db2.gz CJQWGKVKCNNCNF-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001713223610 1178441168 /nfs/dbraw/zinc/44/11/68/1178441168.db2.gz CJQWGKVKCNNCNF-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001713223610 1178441170 /nfs/dbraw/zinc/44/11/70/1178441170.db2.gz CJQWGKVKCNNCNF-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001713245872 1178452090 /nfs/dbraw/zinc/45/20/90/1178452090.db2.gz JNGPQMGRUYZLKB-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713311134 1178488298 /nfs/dbraw/zinc/48/82/98/1178488298.db2.gz JMULZVRRWVRXGV-HZSPNIEDSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001713755843 1178740335 /nfs/dbraw/zinc/74/03/35/1178740335.db2.gz JBXJZQJUBYBGOY-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001714250306 1179046024 /nfs/dbraw/zinc/04/60/24/1179046024.db2.gz CNTZSCYSAUOXQY-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715238816 1179591859 /nfs/dbraw/zinc/59/18/59/1179591859.db2.gz IUXMOUSQPWDANC-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001715378929 1179650400 /nfs/dbraw/zinc/65/04/00/1179650400.db2.gz GCQMACUDDJRTNV-HNNXBMFYSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001715378929 1179650404 /nfs/dbraw/zinc/65/04/04/1179650404.db2.gz GCQMACUDDJRTNV-HNNXBMFYSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001715490856 1179680429 /nfs/dbraw/zinc/68/04/29/1179680429.db2.gz CBOQTZLILZOESY-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715825988 1179851392 /nfs/dbraw/zinc/85/13/92/1179851392.db2.gz IBIBWDPZYUXIRF-NNTXTVRGSA-N 2 1 265.401 1.309 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715879788 1179894426 /nfs/dbraw/zinc/89/44/26/1179894426.db2.gz VOKOTMQVLGRBRM-XITLMJRVSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001716025299 1179999113 /nfs/dbraw/zinc/99/91/13/1179999113.db2.gz VWUBRJVGLXYAKG-LBPRGKRZSA-N 2 1 293.436 1.493 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001716065009 1180028383 /nfs/dbraw/zinc/02/83/83/1180028383.db2.gz IAOMAEGEWKRZPE-GJZGRUSLSA-N 2 1 288.395 1.089 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001716348973 1180164411 /nfs/dbraw/zinc/16/44/11/1180164411.db2.gz HKTQVAFSXADQBZ-VOTSOKGWSA-N 2 1 288.395 1.292 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001716400151 1180186203 /nfs/dbraw/zinc/18/62/03/1180186203.db2.gz XNMWYQYNKZNOML-UKRRQHHQSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001716682089 1180366010 /nfs/dbraw/zinc/36/60/10/1180366010.db2.gz DOTFWIPKWQTJGD-UONOGXRCSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001716848826 1180439173 /nfs/dbraw/zinc/43/91/73/1180439173.db2.gz LLTMSIGSTFPPCY-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001717198713 1180569452 /nfs/dbraw/zinc/56/94/52/1180569452.db2.gz WUVNFONGGRZDME-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001717337806 1180622502 /nfs/dbraw/zinc/62/25/02/1180622502.db2.gz ZWLREJUFXARJKZ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001717337806 1180622504 /nfs/dbraw/zinc/62/25/04/1180622504.db2.gz ZWLREJUFXARJKZ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001717337806 1180622509 /nfs/dbraw/zinc/62/25/09/1180622509.db2.gz ZWLREJUFXARJKZ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CC[C@]2(NC(=O)CC[N@H+](C)CC)CCC[C@H]12 ZINC001717840872 1180888127 /nfs/dbraw/zinc/88/81/27/1180888127.db2.gz MHRZYXOUGDHHGY-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001717840872 1180888135 /nfs/dbraw/zinc/88/81/35/1180888135.db2.gz MHRZYXOUGDHHGY-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)CC)CCC[C@H]12 ZINC001717840872 1180888142 /nfs/dbraw/zinc/88/81/42/1180888142.db2.gz MHRZYXOUGDHHGY-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001723302177 1181535469 /nfs/dbraw/zinc/53/54/69/1181535469.db2.gz RMUYUTWRMQIEKG-GJZGRUSLSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001724655833 1181717412 /nfs/dbraw/zinc/71/74/12/1181717412.db2.gz MTXZWNMETXOYFV-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725517559 1182032431 /nfs/dbraw/zinc/03/24/31/1182032431.db2.gz HJIQRLOESNGOMF-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725597243 1182067737 /nfs/dbraw/zinc/06/77/37/1182067737.db2.gz RYDQYOYPKNAUPE-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001731395133 1182357800 /nfs/dbraw/zinc/35/78/00/1182357800.db2.gz HXIWDDQLENUJHQ-HOTGVXAUSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001731454174 1182396972 /nfs/dbraw/zinc/39/69/72/1182396972.db2.gz RVVJNUJUDZJJFX-HDJSIYSDSA-N 2 1 288.395 1.267 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001731466803 1182400351 /nfs/dbraw/zinc/40/03/51/1182400351.db2.gz DUTLHBGEBPPRQC-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561096 1182449231 /nfs/dbraw/zinc/44/92/31/1182449231.db2.gz YRXWGYLYKBKHHU-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731703807 1182523255 /nfs/dbraw/zinc/52/32/55/1182523255.db2.gz QSYQQFBWHWVUFZ-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001731737851 1182540620 /nfs/dbraw/zinc/54/06/20/1182540620.db2.gz CXXUFNUBSGLOIP-ZIAGYGMSSA-N 2 1 267.417 1.389 10 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CDEEMP C=CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001270696896 904956201 /nfs/dbraw/zinc/95/62/01/904956201.db2.gz CWHROHRJLHLABE-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001270921167 905448273 /nfs/dbraw/zinc/44/82/73/905448273.db2.gz FXZPJRZHIAZQMG-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001271550150 906518174 /nfs/dbraw/zinc/51/81/74/906518174.db2.gz NEDIUQPIUNECDB-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001482546246 906993152 /nfs/dbraw/zinc/99/31/52/906993152.db2.gz AGGYYCVRXXUCFA-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482899490 908465421 /nfs/dbraw/zinc/46/54/21/908465421.db2.gz QICORTMCZZKVDI-RYUDHWBXSA-N 2 1 273.808 1.175 10 30 CDEEMP C#CC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001568131319 1169143913 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C=CC[NH+](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001485766186 917266150 /nfs/dbraw/zinc/26/61/50/917266150.db2.gz BMCNGRSRWCUUQD-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001485766186 917266165 /nfs/dbraw/zinc/26/61/65/917266165.db2.gz BMCNGRSRWCUUQD-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)CCC)CC1 ZINC001485766186 917266181 /nfs/dbraw/zinc/26/61/81/917266181.db2.gz BMCNGRSRWCUUQD-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001486483302 921060742 /nfs/dbraw/zinc/06/07/42/921060742.db2.gz GXZUSCVRYXUCAA-UHFFFAOYSA-N 2 1 253.390 1.092 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001568327520 1169248216 /nfs/dbraw/zinc/24/82/16/1169248216.db2.gz JXGVGAPDNDGYPT-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001568327520 1169248226 /nfs/dbraw/zinc/24/82/26/1169248226.db2.gz JXGVGAPDNDGYPT-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568329246 1169247918 /nfs/dbraw/zinc/24/79/18/1169247918.db2.gz UXGFRQQKDFZRCK-QLFBSQMISA-N 2 1 281.444 1.633 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCC1 ZINC001273141076 922837395 /nfs/dbraw/zinc/83/73/95/922837395.db2.gz HKKOBYZNIHLMHM-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491069242 936850529 /nfs/dbraw/zinc/85/05/29/936850529.db2.gz GGGLWUMRZZNXDO-XUWVNRHRSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488664710 926642201 /nfs/dbraw/zinc/64/22/01/926642201.db2.gz VGIZJGQATYNRSB-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488664710 926642205 /nfs/dbraw/zinc/64/22/05/926642205.db2.gz VGIZJGQATYNRSB-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488664710 926642209 /nfs/dbraw/zinc/64/22/09/926642209.db2.gz VGIZJGQATYNRSB-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001489117582 926801809 /nfs/dbraw/zinc/80/18/09/926801809.db2.gz SEIJGXKXPHTPPJ-HRCADAONSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)[C@H]1CC ZINC001489117582 926801813 /nfs/dbraw/zinc/80/18/13/926801813.db2.gz SEIJGXKXPHTPPJ-HRCADAONSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001489117582 926801823 /nfs/dbraw/zinc/80/18/23/926801823.db2.gz SEIJGXKXPHTPPJ-HRCADAONSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001489239538 926851822 /nfs/dbraw/zinc/85/18/22/926851822.db2.gz GCBXGAAOKXGGNW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001489331208 926874328 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C=CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001276866389 941660767 /nfs/dbraw/zinc/66/07/67/941660767.db2.gz CSZRXHUQQWYGBZ-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001276866389 941660770 /nfs/dbraw/zinc/66/07/70/941660770.db2.gz CSZRXHUQQWYGBZ-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001276866389 941660772 /nfs/dbraw/zinc/66/07/72/941660772.db2.gz CSZRXHUQQWYGBZ-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001277081831 941927510 /nfs/dbraw/zinc/92/75/10/941927510.db2.gz LXHIKSASHYMOIJ-ZOBUZTSGSA-N 2 1 291.439 1.533 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001281497685 942586042 /nfs/dbraw/zinc/58/60/42/942586042.db2.gz KKKGMBKITHBGQC-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001282652957 942735217 /nfs/dbraw/zinc/73/52/17/942735217.db2.gz CQRWKKSUZGVGOO-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001283238033 942864552 /nfs/dbraw/zinc/86/45/52/942864552.db2.gz GBIWERWWANCGST-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001263930284 944033886 /nfs/dbraw/zinc/03/38/86/944033886.db2.gz FVXXAPZENQNCLH-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001264651991 944159555 /nfs/dbraw/zinc/15/95/55/944159555.db2.gz PLZYATPNUJPDJE-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265208029 944275688 /nfs/dbraw/zinc/27/56/88/944275688.db2.gz OSLWUASGRVISGE-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265208029 944275694 /nfs/dbraw/zinc/27/56/94/944275694.db2.gz OSLWUASGRVISGE-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265208029 944275699 /nfs/dbraw/zinc/27/56/99/944275699.db2.gz OSLWUASGRVISGE-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001265230568 944288558 /nfs/dbraw/zinc/28/85/58/944288558.db2.gz HYQPPPBMVYGRAC-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001265230568 944288562 /nfs/dbraw/zinc/28/85/62/944288562.db2.gz HYQPPPBMVYGRAC-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001265230568 944288566 /nfs/dbraw/zinc/28/85/66/944288566.db2.gz HYQPPPBMVYGRAC-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001265310697 944339510 /nfs/dbraw/zinc/33/95/10/944339510.db2.gz TWXQSUWSAQTFCD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001265310697 944339519 /nfs/dbraw/zinc/33/95/19/944339519.db2.gz TWXQSUWSAQTFCD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001265310697 944339528 /nfs/dbraw/zinc/33/95/28/944339528.db2.gz TWXQSUWSAQTFCD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001265655910 944459701 /nfs/dbraw/zinc/45/97/01/944459701.db2.gz RQWIDGSWOSAQRI-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001266075480 944666586 /nfs/dbraw/zinc/66/65/86/944666586.db2.gz NWPGKAXINIYBDE-HOTGVXAUSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001480024617 971542369 /nfs/dbraw/zinc/54/23/69/971542369.db2.gz LWRUOYZMZZNGHZ-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151792 1169694766 /nfs/dbraw/zinc/69/47/66/1169694766.db2.gz OTEWPMHQZNGYDZ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001328915230 955552100 /nfs/dbraw/zinc/55/21/00/955552100.db2.gz INBOEJORJRJPAD-QQFBHYJXSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329150619 955719822 /nfs/dbraw/zinc/71/98/22/955719822.db2.gz YNNPHKRLBWHEDY-OLZOCXBDSA-N 2 1 278.400 1.641 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001492423201 955876074 /nfs/dbraw/zinc/87/60/74/955876074.db2.gz NIOHUPWBIZCYIY-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001492423201 955876085 /nfs/dbraw/zinc/87/60/85/955876085.db2.gz NIOHUPWBIZCYIY-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001492423201 955876100 /nfs/dbraw/zinc/87/61/00/955876100.db2.gz NIOHUPWBIZCYIY-INIZCTEOSA-N 2 1 297.418 1.270 10 30 CDEEMP C[NH2+][C@H](C)Cc1noc([C@@H]([NH3+])CCCCC#N)n1 ZINC001329869001 956151096 /nfs/dbraw/zinc/15/10/96/956151096.db2.gz WDEPYXZTHOOXIJ-ZJUUUORDSA-N 2 1 251.334 1.304 10 30 CDEEMP CC#CC[N@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001330210244 956328490 /nfs/dbraw/zinc/32/84/90/956328490.db2.gz OJDZFNDRRKKCDG-CQSZACIVSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138595 972184127 /nfs/dbraw/zinc/18/41/27/972184127.db2.gz WSBJLKVYTCACFR-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001317092906 957265980 /nfs/dbraw/zinc/26/59/80/957265980.db2.gz KDLJIUVBNDBRCB-RBSFLKMASA-N 2 1 281.444 1.918 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317166347 957314904 /nfs/dbraw/zinc/31/49/04/957314904.db2.gz XRGZOMHBOGZZKY-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317478630 957501555 /nfs/dbraw/zinc/50/15/55/957501555.db2.gz QZIZUUOSFSFPMO-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001317478630 957501559 /nfs/dbraw/zinc/50/15/59/957501559.db2.gz QZIZUUOSFSFPMO-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001317478630 957501565 /nfs/dbraw/zinc/50/15/65/957501565.db2.gz QZIZUUOSFSFPMO-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001318482806 958126407 /nfs/dbraw/zinc/12/64/07/958126407.db2.gz LVUOHRPVGPHRMH-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001319040328 958344407 /nfs/dbraw/zinc/34/44/07/958344407.db2.gz YFIPCLROTYSLLI-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001319609453 958653103 /nfs/dbraw/zinc/65/31/03/958653103.db2.gz MSOYNGMLRVLHCW-OWCLPIDISA-N 2 1 293.455 1.470 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319644379 958672602 /nfs/dbraw/zinc/67/26/02/958672602.db2.gz ZCJNZLZYMHNAJA-GJZGRUSLSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001321112564 959596718 /nfs/dbraw/zinc/59/67/18/959596718.db2.gz SEMCNTFCMQVFJO-OKQSBHACSA-N 2 1 291.439 1.841 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001321652582 959887973 /nfs/dbraw/zinc/88/79/73/959887973.db2.gz NHUBQGPXWPALSS-OCCSQVGLSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001322442577 960221300 /nfs/dbraw/zinc/22/13/00/960221300.db2.gz MVGIIAZDTOHADK-LBPRGKRZSA-N 2 1 273.808 1.271 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001324100238 961166389 /nfs/dbraw/zinc/16/63/89/961166389.db2.gz WVRUFBKABIJVDT-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001439152353 963656381 /nfs/dbraw/zinc/65/63/81/963656381.db2.gz WXQWTDQXMOPFHA-AGIUHOORSA-N 2 1 287.835 1.564 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001441855883 964740469 /nfs/dbraw/zinc/74/04/69/964740469.db2.gz QBMQBFVZEWQLPG-VXGBXAGGSA-N 2 1 273.808 1.318 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444854145 965974727 /nfs/dbraw/zinc/97/47/27/965974727.db2.gz CCKQZMIQBJBDQS-STQMWFEESA-N 2 1 287.835 1.564 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC001358137551 969698957 /nfs/dbraw/zinc/69/89/57/969698957.db2.gz BMXKCBJZWHPOHM-MJBXVCDLSA-N 2 1 297.468 1.366 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC001358137551 969698961 /nfs/dbraw/zinc/69/89/61/969698961.db2.gz BMXKCBJZWHPOHM-MJBXVCDLSA-N 2 1 297.468 1.366 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001495682768 972593645 /nfs/dbraw/zinc/59/36/45/972593645.db2.gz GMCOTIDSUJOUSC-HOCLYGCPSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001496845448 973121363 /nfs/dbraw/zinc/12/13/63/973121363.db2.gz RNJBVKNENKUZQX-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498282612 973805578 /nfs/dbraw/zinc/80/55/78/973805578.db2.gz KJCJAVNBLKUNBA-ZFWWWQNUSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001498325630 973832454 /nfs/dbraw/zinc/83/24/54/973832454.db2.gz HZYJILZYMPYPNM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001498325630 973832459 /nfs/dbraw/zinc/83/24/59/973832459.db2.gz HZYJILZYMPYPNM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001498325630 973832467 /nfs/dbraw/zinc/83/24/67/973832467.db2.gz HZYJILZYMPYPNM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001499082302 974182676 /nfs/dbraw/zinc/18/26/76/974182676.db2.gz SBJDGLDKFOHIDF-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001499082302 974182681 /nfs/dbraw/zinc/18/26/81/974182681.db2.gz SBJDGLDKFOHIDF-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001501604656 974604390 /nfs/dbraw/zinc/60/43/90/974604390.db2.gz VZBYAFTYOSCQGM-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001502972648 974807700 /nfs/dbraw/zinc/80/77/00/974807700.db2.gz ZMRSLMYMNSZXJZ-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001507292907 975400913 /nfs/dbraw/zinc/40/09/13/975400913.db2.gz MSXWWMFVZQIABC-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001570213706 1170112990 /nfs/dbraw/zinc/11/29/90/1170112990.db2.gz BQZNHPGORKJFDO-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001570349017 1170139238 /nfs/dbraw/zinc/13/92/38/1170139238.db2.gz KLXZIITWTUJMLD-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001571352649 1170378773 /nfs/dbraw/zinc/37/87/73/1170378773.db2.gz VOFUASCAIYTMJI-HUUCEWRRSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001571502353 1170456522 /nfs/dbraw/zinc/45/65/22/1170456522.db2.gz DAIFKKLGLABZBP-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001656997690 1171914150 /nfs/dbraw/zinc/91/41/50/1171914150.db2.gz GLTKRYRNKRQPAD-QLFBSQMISA-N 2 1 279.428 1.319 10 30 CDEEMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438185 342905883 /nfs/dbraw/zinc/90/58/83/342905883.db2.gz RECYTKGXHSZRRN-HZSPNIEDSA-N 2 1 280.416 1.196 10 30 CDEEMP C=CCCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000076737998 342324668 /nfs/dbraw/zinc/32/46/68/342324668.db2.gz NJVHBXCHYKTUAU-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nn1 ZINC000655941417 412954032 /nfs/dbraw/zinc/95/40/32/412954032.db2.gz TUDGKKAWFJIBRI-HUUCEWRRSA-N 2 1 289.427 1.676 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001662983616 1172624523 /nfs/dbraw/zinc/62/45/23/1172624523.db2.gz GAVDITNYXOKQFQ-ZDUSSCGKSA-N 2 1 278.400 1.677 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001663587556 1172729550 /nfs/dbraw/zinc/72/95/50/1172729550.db2.gz MYFMQHKUPDSEBO-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 ZINC001663730433 1172753489 /nfs/dbraw/zinc/75/34/89/1172753489.db2.gz JNMUDXVMELOBNP-HNNXBMFYSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662680155 413298321 /nfs/dbraw/zinc/29/83/21/413298321.db2.gz GLRYBMAETVXHGV-GOEBONIOSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCCC[C@H]2C)CCC[NH2+]1 ZINC000662679656 413300242 /nfs/dbraw/zinc/30/02/42/413300242.db2.gz ATIZIHDANCNQBD-GDBMZVCRSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662688287 413314554 /nfs/dbraw/zinc/31/45/54/413314554.db2.gz NTXMNZWAWOXYJQ-IJEWVQPXSA-N 2 1 277.412 1.428 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)CCC[NH2+]1 ZINC000662748544 413426743 /nfs/dbraw/zinc/42/67/43/413426743.db2.gz AVFTZSCGUMMSBQ-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001665732236 1173047655 /nfs/dbraw/zinc/04/76/55/1173047655.db2.gz QZIMFIIDNZYXTP-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001665732236 1173047662 /nfs/dbraw/zinc/04/76/62/1173047662.db2.gz QZIMFIIDNZYXTP-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001665732896 1173049043 /nfs/dbraw/zinc/04/90/43/1173049043.db2.gz ZMQKKUSCRSAOHM-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[C@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662873500 413636200 /nfs/dbraw/zinc/63/62/00/413636200.db2.gz YRHLVPQJMMOLTK-NQKGRLOXSA-N 2 1 277.412 1.426 10 30 CDEEMP C[N@H+](Cc1sccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000043683888 175092392 /nfs/dbraw/zinc/09/23/92/175092392.db2.gz NINBSFPDVRPAMZ-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190496 176066408 /nfs/dbraw/zinc/06/64/08/176066408.db2.gz FIUFFMBRFCLFNA-OAHLLOKOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190496 176066410 /nfs/dbraw/zinc/06/64/10/176066410.db2.gz FIUFFMBRFCLFNA-OAHLLOKOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1ccccc1C#CCO)C[C@@H]1CC[N@H+](C)C1 ZINC000071190496 176066411 /nfs/dbraw/zinc/06/64/11/176066411.db2.gz FIUFFMBRFCLFNA-OAHLLOKOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1ccccc1C#CCO)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190496 176066412 /nfs/dbraw/zinc/06/64/12/176066412.db2.gz FIUFFMBRFCLFNA-OAHLLOKOSA-N 2 1 272.392 1.414 10 30 CDEEMP CN[C@@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190777 176068613 /nfs/dbraw/zinc/06/86/13/176068613.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 2 1 266.433 1.542 10 30 CDEEMP CN[C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190777 176068615 /nfs/dbraw/zinc/06/86/15/176068615.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 2 1 266.433 1.542 10 30 CDEEMP CN[C@@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190777 176068616 /nfs/dbraw/zinc/06/86/16/176068616.db2.gz RFZZTTQRACUQQJ-LSDHHAIUSA-N 2 1 266.433 1.542 10 30 CDEEMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCC#N)CC2)CC1 ZINC000109789655 262255428 /nfs/dbraw/zinc/25/54/28/262255428.db2.gz UIRMPHQSCXHCEV-UHFFFAOYSA-N 2 1 292.427 1.166 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(=C)C ZINC001668092595 1173368015 /nfs/dbraw/zinc/36/80/15/1173368015.db2.gz VGDYKSUQLNGTNJ-HOTGVXAUSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(=C)C ZINC001668092595 1173368022 /nfs/dbraw/zinc/36/80/22/1173368022.db2.gz VGDYKSUQLNGTNJ-HOTGVXAUSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267054914 1159101519 /nfs/dbraw/zinc/10/15/19/1159101519.db2.gz HLURDGCBMKEVOC-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCC#N)C2)CC1 ZINC000174892922 329164275 /nfs/dbraw/zinc/16/42/75/329164275.db2.gz XOCQKXSPCOGDKZ-HNNXBMFYSA-N 2 1 264.417 1.392 10 30 CDEEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCC#N)C2)CC1 ZINC000174892922 329164276 /nfs/dbraw/zinc/16/42/76/329164276.db2.gz XOCQKXSPCOGDKZ-HNNXBMFYSA-N 2 1 264.417 1.392 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001690826327 1175584107 /nfs/dbraw/zinc/58/41/07/1175584107.db2.gz DOSYUVXMIKFXOQ-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690826327 1175584111 /nfs/dbraw/zinc/58/41/11/1175584111.db2.gz DOSYUVXMIKFXOQ-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690826327 1175584115 /nfs/dbraw/zinc/58/41/15/1175584115.db2.gz DOSYUVXMIKFXOQ-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C[NH+]=C(NC1CC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262814603 330033525 /nfs/dbraw/zinc/03/35/25/330033525.db2.gz RSAYYXVOMAXKEY-GFCCVEGCSA-N 2 1 250.390 1.331 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001482896151 1160641295 /nfs/dbraw/zinc/64/12/95/1160641295.db2.gz XYMIWYOWTKUXQV-ZFWWWQNUSA-N 2 1 265.401 1.143 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001712948508 1178261531 /nfs/dbraw/zinc/26/15/31/1178261531.db2.gz YWHUBMKYTWPSDE-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712948508 1178261535 /nfs/dbraw/zinc/26/15/35/1178261535.db2.gz YWHUBMKYTWPSDE-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001712948508 1178261540 /nfs/dbraw/zinc/26/15/40/1178261540.db2.gz YWHUBMKYTWPSDE-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713062629 1178339662 /nfs/dbraw/zinc/33/96/62/1178339662.db2.gz GSYVFGZSGOYPOR-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP CC[N@@H+](CCOC)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609716 521133437 /nfs/dbraw/zinc/13/34/37/521133437.db2.gz HDVAFCJDIKSPPR-UHFFFAOYSA-N 2 1 276.380 1.344 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001689801769 1175262879 /nfs/dbraw/zinc/26/28/79/1175262879.db2.gz AUEITGGJCDSFEF-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001689801769 1175262887 /nfs/dbraw/zinc/26/28/87/1175262887.db2.gz AUEITGGJCDSFEF-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001689801769 1175262890 /nfs/dbraw/zinc/26/28/90/1175262890.db2.gz AUEITGGJCDSFEF-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001689978691 1175331468 /nfs/dbraw/zinc/33/14/68/1175331468.db2.gz CKDVULPZLVABJS-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001689978691 1175331475 /nfs/dbraw/zinc/33/14/75/1175331475.db2.gz CKDVULPZLVABJS-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001689978691 1175331481 /nfs/dbraw/zinc/33/14/81/1175331481.db2.gz CKDVULPZLVABJS-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000895809112 619847204 /nfs/dbraw/zinc/84/72/04/619847204.db2.gz ZBNRNOXGYJGKQL-UHFFFAOYSA-N 2 1 299.422 1.976 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCCn1cc[nH+]c1C ZINC000900300477 622870620 /nfs/dbraw/zinc/87/06/20/622870620.db2.gz ARSYNTQAIWYDIW-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000900880356 623601708 /nfs/dbraw/zinc/60/17/08/623601708.db2.gz IPUNZSHTQCINGO-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001772513971 1158529014 /nfs/dbraw/zinc/52/90/14/1158529014.db2.gz AKWLAQYVSZUXSO-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001266445297 1158547819 /nfs/dbraw/zinc/54/78/19/1158547819.db2.gz ODSVOTIBYMMXKD-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC=C)C1 ZINC001566895538 1168458752 /nfs/dbraw/zinc/45/87/52/1168458752.db2.gz KFPDTWJTQQHPSN-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC=C)C1 ZINC001566895538 1168458758 /nfs/dbraw/zinc/45/87/58/1168458758.db2.gz KFPDTWJTQQHPSN-HOTGVXAUSA-N 2 1 289.423 1.098 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570216926 1170113397 /nfs/dbraw/zinc/11/33/97/1170113397.db2.gz QHRLQZNHYZHAQN-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570216926 1170113400 /nfs/dbraw/zinc/11/34/00/1170113400.db2.gz QHRLQZNHYZHAQN-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570216926 1170113403 /nfs/dbraw/zinc/11/34/03/1170113403.db2.gz QHRLQZNHYZHAQN-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488710 1170438192 /nfs/dbraw/zinc/43/81/92/1170438192.db2.gz GZNDVTSYJBYOGY-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001571493990 1170453707 /nfs/dbraw/zinc/45/37/07/1170453707.db2.gz YDBQHEPCGTWFLD-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001571660058 1170512564 /nfs/dbraw/zinc/51/25/64/1170512564.db2.gz LMMQBNBVBSPUQG-UHFFFAOYSA-N 2 1 276.384 1.347 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001663634079 1172737967 /nfs/dbraw/zinc/73/79/67/1172737967.db2.gz NUMYMQYROSOADH-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001667198273 1173244544 /nfs/dbraw/zinc/24/45/44/1173244544.db2.gz OSGFNOWLXJPJJJ-CABCVRRESA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(C)C[NH+](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001676079740 1174178984 /nfs/dbraw/zinc/17/89/84/1174178984.db2.gz XAWVWOVRIPLCFN-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001676754938 1174267640 /nfs/dbraw/zinc/26/76/40/1174267640.db2.gz HXRRDIMEOQGXPA-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001678334164 1174432828 /nfs/dbraw/zinc/43/28/28/1174432828.db2.gz QFWYQOGUUQHVPL-UHFFFAOYSA-N 2 1 288.395 1.302 10 30 CDEEMP C=CCC[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001678334164 1174432837 /nfs/dbraw/zinc/43/28/37/1174432837.db2.gz QFWYQOGUUQHVPL-UHFFFAOYSA-N 2 1 288.395 1.302 10 30 CDEEMP C=CCCN1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001688699362 1175012675 /nfs/dbraw/zinc/01/26/75/1175012675.db2.gz AFCFIASICMXADS-JKSUJKDBSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001688699362 1175012678 /nfs/dbraw/zinc/01/26/78/1175012678.db2.gz AFCFIASICMXADS-JKSUJKDBSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001688699362 1175012683 /nfs/dbraw/zinc/01/26/83/1175012683.db2.gz AFCFIASICMXADS-JKSUJKDBSA-N 2 1 291.439 1.724 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001698902452 1175981350 /nfs/dbraw/zinc/98/13/50/1175981350.db2.gz UHRZJGHGMPAFEJ-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001699485082 1176440353 /nfs/dbraw/zinc/44/03/53/1176440353.db2.gz CDTABGPIIKUFNS-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699650755 1176548012 /nfs/dbraw/zinc/54/80/12/1176548012.db2.gz CNXJJASSLKGUFO-AWEZNQCLSA-N 2 1 277.412 1.121 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001699740384 1176598436 /nfs/dbraw/zinc/59/84/36/1176598436.db2.gz QJULNMMCILWDID-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001699969907 1176702143 /nfs/dbraw/zinc/70/21/43/1176702143.db2.gz QGQACAGWRLNHMH-GJZGRUSLSA-N 2 1 293.455 1.282 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001700293053 1176835132 /nfs/dbraw/zinc/83/51/32/1176835132.db2.gz PCPMZZPDGGLIRA-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001700293053 1176835141 /nfs/dbraw/zinc/83/51/41/1176835141.db2.gz PCPMZZPDGGLIRA-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001700293053 1176835150 /nfs/dbraw/zinc/83/51/50/1176835150.db2.gz PCPMZZPDGGLIRA-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001700631043 1177044362 /nfs/dbraw/zinc/04/43/62/1177044362.db2.gz BYMJATWPRBFNJP-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001700772849 1177126078 /nfs/dbraw/zinc/12/60/78/1177126078.db2.gz FKVCNGNRPNCKOY-ZDUSSCGKSA-N 2 1 299.378 1.503 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001700885478 1177178089 /nfs/dbraw/zinc/17/80/89/1177178089.db2.gz POWQNHNDXISFMJ-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001700885478 1177178093 /nfs/dbraw/zinc/17/80/93/1177178093.db2.gz POWQNHNDXISFMJ-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001700885478 1177178107 /nfs/dbraw/zinc/17/81/07/1177178107.db2.gz POWQNHNDXISFMJ-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001707056510 1177931920 /nfs/dbraw/zinc/93/19/20/1177931920.db2.gz SWLVJXVWYHQMOS-CVEARBPZSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001707056510 1177931927 /nfs/dbraw/zinc/93/19/27/1177931927.db2.gz SWLVJXVWYHQMOS-CVEARBPZSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001712947132 1178259559 /nfs/dbraw/zinc/25/95/59/1178259559.db2.gz NWMLTPUMSOPVDO-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001712947132 1178259566 /nfs/dbraw/zinc/25/95/66/1178259566.db2.gz NWMLTPUMSOPVDO-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001712947132 1178259571 /nfs/dbraw/zinc/25/95/71/1178259571.db2.gz NWMLTPUMSOPVDO-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001713541293 1178634432 /nfs/dbraw/zinc/63/44/32/1178634432.db2.gz KBJSBTOPGKGQHK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001713541293 1178634435 /nfs/dbraw/zinc/63/44/35/1178634435.db2.gz KBJSBTOPGKGQHK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001713541293 1178634439 /nfs/dbraw/zinc/63/44/39/1178634439.db2.gz KBJSBTOPGKGQHK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001713694666 1178712353 /nfs/dbraw/zinc/71/23/53/1178712353.db2.gz RVAANOIPOMBOIY-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001713694666 1178712355 /nfs/dbraw/zinc/71/23/55/1178712355.db2.gz RVAANOIPOMBOIY-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001713694666 1178712361 /nfs/dbraw/zinc/71/23/61/1178712361.db2.gz RVAANOIPOMBOIY-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713906241 1178835826 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MZMVAZLLRREJSQ-IHRRRGAJSA-N 2 1 253.390 1.577 10 30 CDEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCO[C@@H](C)C#N)[C@@H](C)C1 ZINC000801933294 755216905 /nfs/dbraw/zinc/21/69/05/755216905.db2.gz MZMVAZLLRREJSQ-IHRRRGAJSA-N 2 1 253.390 1.577 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357822 755645657 /nfs/dbraw/zinc/64/56/57/755645657.db2.gz ABHXNCDCODDQPJ-CKDBGZEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871357822 755645672 /nfs/dbraw/zinc/64/56/72/755645672.db2.gz ABHXNCDCODDQPJ-CKDBGZEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)CC1(C)C ZINC000927169385 756171137 /nfs/dbraw/zinc/17/11/37/756171137.db2.gz YRXGTMZJYWTQJE-AWEZNQCLSA-N 2 1 287.411 1.828 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000852869945 756225896 /nfs/dbraw/zinc/22/58/96/756225896.db2.gz HWNNHFIZTMIUDO-HOCLYGCPSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000876723461 756825476 /nfs/dbraw/zinc/82/54/76/756825476.db2.gz BAYDQUIGCJUSJG-ZDUSSCGKSA-N 2 1 287.835 1.837 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000876898778 757867086 /nfs/dbraw/zinc/86/70/86/757867086.db2.gz VRBKPDHZCXMPKT-NSHDSACASA-N 2 1 259.781 1.009 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([N@H+](C)CC)C1 ZINC001558875812 965368436 /nfs/dbraw/zinc/36/84/36/965368436.db2.gz PFJMEMSSYFSCPD-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001649448311 1167249795 /nfs/dbraw/zinc/24/97/95/1167249795.db2.gz NFANISCIBLCPJI-MGPQQGTHSA-N 2 1 267.417 1.245 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC1 ZINC001566604153 1167998446 /nfs/dbraw/zinc/99/84/46/1167998446.db2.gz PUQIQUKSVGTNDI-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001567387383 1168054689 /nfs/dbraw/zinc/05/46/89/1168054689.db2.gz ZFFRGNIFGILLJI-OAHLLOKOSA-N 2 1 279.428 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CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001266897514 896298611 /nfs/dbraw/zinc/29/86/11/896298611.db2.gz NOYJMWCJZPMXLH-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267196131 897110674 /nfs/dbraw/zinc/11/06/74/897110674.db2.gz ASEBDZKARYZWGC-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267548514 898324879 /nfs/dbraw/zinc/32/48/79/898324879.db2.gz GXLUMMADZCNKME-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001267650417 899168625 /nfs/dbraw/zinc/16/86/25/899168625.db2.gz MQKFSNZQXVKGDT-HOTGVXAUSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001267650417 899168631 /nfs/dbraw/zinc/16/86/31/899168631.db2.gz MQKFSNZQXVKGDT-HOTGVXAUSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267681015 899266811 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C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001268258018 901689571 /nfs/dbraw/zinc/68/95/71/901689571.db2.gz ZXKJYXPWHCQMJN-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001268258018 901689577 /nfs/dbraw/zinc/68/95/77/901689577.db2.gz ZXKJYXPWHCQMJN-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001481823778 902173017 /nfs/dbraw/zinc/17/30/17/902173017.db2.gz LKNLYPBMALYQLM-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)CCCn1cc[nH+]c1C ZINC001481859799 902234483 /nfs/dbraw/zinc/23/44/83/902234483.db2.gz KWOHKEJTZKOWKZ-AWEZNQCLSA-N 2 1 276.384 1.089 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001268746552 903072305 /nfs/dbraw/zinc/07/23/05/903072305.db2.gz LOHRRWJVDBTSPN-BBRMVZONSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001268746552 903072314 /nfs/dbraw/zinc/07/23/14/903072314.db2.gz LOHRRWJVDBTSPN-BBRMVZONSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268746552 903072328 /nfs/dbraw/zinc/07/23/28/903072328.db2.gz LOHRRWJVDBTSPN-BBRMVZONSA-N 2 1 299.434 1.821 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001269345328 903718372 /nfs/dbraw/zinc/71/83/72/903718372.db2.gz OHCOPYYBIFMACK-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001269345328 903718382 /nfs/dbraw/zinc/71/83/82/903718382.db2.gz OHCOPYYBIFMACK-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001269345328 903718391 /nfs/dbraw/zinc/71/83/91/903718391.db2.gz OHCOPYYBIFMACK-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001269345328 903718402 /nfs/dbraw/zinc/71/84/02/903718402.db2.gz OHCOPYYBIFMACK-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001269443211 903812725 /nfs/dbraw/zinc/81/27/25/903812725.db2.gz SRPAKJFOMFVELE-HNNXBMFYSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001270867443 905237354 /nfs/dbraw/zinc/23/73/54/905237354.db2.gz UBDVNURRKYYNKK-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001271560063 906517637 /nfs/dbraw/zinc/51/76/37/906517637.db2.gz GTYMNDFVYZQKDP-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001272985297 921303447 /nfs/dbraw/zinc/30/34/47/921303447.db2.gz NENNWBYECZEQGI-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1C#N ZINC000697402235 907618773 /nfs/dbraw/zinc/61/87/73/907618773.db2.gz NURGIYDUVMRBQI-UHFFFAOYSA-N 2 1 259.353 1.752 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567940876 1169084273 /nfs/dbraw/zinc/08/42/73/1169084273.db2.gz OARZITUTBREVPH-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001482848088 908425124 /nfs/dbraw/zinc/42/51/24/908425124.db2.gz LFVPWCGGNGXJBW-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483128404 909685806 /nfs/dbraw/zinc/68/58/06/909685806.db2.gz BDTIEMUPNVULCF-HZSPNIEDSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001483299008 910811770 /nfs/dbraw/zinc/81/17/70/910811770.db2.gz NUKCZQPZALRCFN-AWEZNQCLSA-N 2 1 275.396 1.399 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001483299008 910811781 /nfs/dbraw/zinc/81/17/81/910811781.db2.gz NUKCZQPZALRCFN-AWEZNQCLSA-N 2 1 275.396 1.399 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410745 911079432 /nfs/dbraw/zinc/07/94/32/911079432.db2.gz WMUDOCLLENMTAY-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483410745 911079452 /nfs/dbraw/zinc/07/94/52/911079452.db2.gz WMUDOCLLENMTAY-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483410745 911079471 /nfs/dbraw/zinc/07/94/71/911079471.db2.gz WMUDOCLLENMTAY-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001484372766 915690097 /nfs/dbraw/zinc/69/00/97/915690097.db2.gz VKVOCOZKPNDEFA-GXTWGEPZSA-N 2 1 276.384 1.062 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001484513772 915837326 /nfs/dbraw/zinc/83/73/26/915837326.db2.gz UHIPJRDIXYAYTQ-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001484725038 916088955 /nfs/dbraw/zinc/08/89/55/916088955.db2.gz XFICUURHEPUQTM-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001484725038 916088971 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CDEEMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001490983724 936837180 /nfs/dbraw/zinc/83/71/80/936837180.db2.gz PGAYAAYIXOIAKM-HOTGVXAUSA-N 2 1 291.439 1.273 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001568367173 1169261663 /nfs/dbraw/zinc/26/16/63/1169261663.db2.gz FNWQSLASNJTZAQ-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001491271595 936888562 /nfs/dbraw/zinc/88/85/62/936888562.db2.gz PALGPVWYVUABIH-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001489132739 926804953 /nfs/dbraw/zinc/80/49/53/926804953.db2.gz MFLPMOQWBRIAAI-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490729810 927337006 /nfs/dbraw/zinc/33/70/06/927337006.db2.gz XUWYXPCQUJLWRP-OCCSQVGLSA-N 2 1 299.846 1.565 10 30 CDEEMP C#CC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@H]21 ZINC001568516608 1169343738 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C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001275649777 931928150 /nfs/dbraw/zinc/92/81/50/931928150.db2.gz YCWADSBMQLEUMI-GXTWGEPZSA-N 2 1 290.411 1.376 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001275656631 931934427 /nfs/dbraw/zinc/93/44/27/931934427.db2.gz IDAZIRMHVKYWOC-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CCC ZINC001275804095 932051073 /nfs/dbraw/zinc/05/10/73/932051073.db2.gz DRYYWZCWQCGQJB-CVEARBPZSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+](CC)C1CC1 ZINC001568551842 1169362871 /nfs/dbraw/zinc/36/28/71/1169362871.db2.gz VQQSNTJEFDKUBI-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@H+](CC)C1CC1 ZINC001568551842 1169362877 /nfs/dbraw/zinc/36/28/77/1169362877.db2.gz VQQSNTJEFDKUBI-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+](CC)C1CC1 ZINC001568551842 1169362887 /nfs/dbraw/zinc/36/28/87/1169362887.db2.gz VQQSNTJEFDKUBI-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001275904186 932122292 /nfs/dbraw/zinc/12/22/92/932122292.db2.gz CZZUSABEPPITMI-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001275904186 932122296 /nfs/dbraw/zinc/12/22/96/932122296.db2.gz CZZUSABEPPITMI-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001275904186 932122299 /nfs/dbraw/zinc/12/22/99/932122299.db2.gz CZZUSABEPPITMI-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001568751094 1169462260 /nfs/dbraw/zinc/46/22/60/1169462260.db2.gz HUCQHUMZLCBSQJ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1C[C@@H]2CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001276841076 941636187 /nfs/dbraw/zinc/63/61/87/941636187.db2.gz URSQYMKHZULILF-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001276841076 941636189 /nfs/dbraw/zinc/63/61/89/941636189.db2.gz URSQYMKHZULILF-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001276841076 941636191 /nfs/dbraw/zinc/63/61/91/941636191.db2.gz URSQYMKHZULILF-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001281526678 942588508 /nfs/dbraw/zinc/58/85/08/942588508.db2.gz GBAVNYSNKQHYCI-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001282014674 942644544 /nfs/dbraw/zinc/64/45/44/942644544.db2.gz FHRZFELJOATGGY-UYSNPLJNSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001282338050 942691662 /nfs/dbraw/zinc/69/16/62/942691662.db2.gz VFDYWNBSCXIFBJ-CQSZACIVSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282484355 942722604 /nfs/dbraw/zinc/72/26/04/942722604.db2.gz CHHBOCHGIBZYEJ-UONOGXRCSA-N 2 1 267.417 1.032 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001284067107 943067496 /nfs/dbraw/zinc/06/74/96/943067496.db2.gz KOGBTEJFLMIDRA-UXLLHSPISA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001284292984 943140533 /nfs/dbraw/zinc/14/05/33/943140533.db2.gz LNNFRHDBADEIMO-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001284701709 943245414 /nfs/dbraw/zinc/24/54/14/943245414.db2.gz CWYPSWAJVHJDRZ-CYBMUJFWSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CCC)CC1 ZINC001284726081 943248747 /nfs/dbraw/zinc/24/87/47/943248747.db2.gz OXYAFLFKOPCGIX-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001277686924 943336464 /nfs/dbraw/zinc/33/64/64/943336464.db2.gz XBRYSAXIWMKXCX-CYBMUJFWSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001263878495 944018294 /nfs/dbraw/zinc/01/82/94/944018294.db2.gz ZWZWRVLPXBJXSO-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001264175704 944093023 /nfs/dbraw/zinc/09/30/23/944093023.db2.gz VGFRZKCTFPFBAW-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264175704 944093027 /nfs/dbraw/zinc/09/30/27/944093027.db2.gz VGFRZKCTFPFBAW-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001264175704 944093031 /nfs/dbraw/zinc/09/30/31/944093031.db2.gz VGFRZKCTFPFBAW-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001264363500 944111855 /nfs/dbraw/zinc/11/18/55/944111855.db2.gz JSRCKGCUAOBLJZ-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001264363500 944111859 /nfs/dbraw/zinc/11/18/59/944111859.db2.gz JSRCKGCUAOBLJZ-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001264363500 944111865 /nfs/dbraw/zinc/11/18/65/944111865.db2.gz JSRCKGCUAOBLJZ-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001264703947 944167308 /nfs/dbraw/zinc/16/73/08/944167308.db2.gz KOJWKUSDYZYUBU-ILXRZTDVSA-N 2 1 297.418 1.269 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001265654386 944459086 /nfs/dbraw/zinc/45/90/86/944459086.db2.gz TUMFEILDWAACCK-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001265775889 944503352 /nfs/dbraw/zinc/50/33/52/944503352.db2.gz ZVBVXCAGSWTUNW-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001265833116 944531253 /nfs/dbraw/zinc/53/12/53/944531253.db2.gz XQIMHCVBNLQESJ-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001265952592 944595144 /nfs/dbraw/zinc/59/51/44/944595144.db2.gz QTRWACCGXHQSSA-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001266156924 944720217 /nfs/dbraw/zinc/72/02/17/944720217.db2.gz QQIDCNDEXYAIFW-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568851872 1169518612 /nfs/dbraw/zinc/51/86/12/1169518612.db2.gz NPXMRPSBOMOROO-YOIVVXPQSA-N 2 1 265.401 1.165 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001279045410 948636657 /nfs/dbraw/zinc/63/66/57/948636657.db2.gz KNMOZKFVNKHSQU-UKRRQHHQSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001324648084 953495969 /nfs/dbraw/zinc/49/59/69/953495969.db2.gz SJWHXBHZSOGBHB-ZBFHGGJFSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001493290998 972010063 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C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001327226198 954781320 /nfs/dbraw/zinc/78/13/20/954781320.db2.gz XSVMFPBTBPERFA-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001491960601 955545326 /nfs/dbraw/zinc/54/53/26/955545326.db2.gz WKYYSIWHGLDHDA-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491960601 955545333 /nfs/dbraw/zinc/54/53/33/955545333.db2.gz WKYYSIWHGLDHDA-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491960601 955545347 /nfs/dbraw/zinc/54/53/47/955545347.db2.gz WKYYSIWHGLDHDA-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491964674 955549598 /nfs/dbraw/zinc/54/95/98/955549598.db2.gz AEJGJOKUIXPYLB-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491964674 955549607 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C=C(C)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001331629648 957177360 /nfs/dbraw/zinc/17/73/60/957177360.db2.gz DAUYTPRWIUSIJL-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001317295185 957408912 /nfs/dbraw/zinc/40/89/12/957408912.db2.gz VEQNIPQNXJSDPY-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317346582 957432004 /nfs/dbraw/zinc/43/20/04/957432004.db2.gz XFNZCIQCVZSSOX-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001317635817 957614656 /nfs/dbraw/zinc/61/46/56/957614656.db2.gz HDTKUHOUXKSFMJ-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001317683627 957638155 /nfs/dbraw/zinc/63/81/55/957638155.db2.gz VAOVPTXHJYLPLF-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318155163 957948858 /nfs/dbraw/zinc/94/88/58/957948858.db2.gz PHHTWXGEVNKLQX-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001318714746 958244253 /nfs/dbraw/zinc/24/42/53/958244253.db2.gz SADUOXYWIQRIRH-YOEHRIQHSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001320150128 958970751 /nfs/dbraw/zinc/97/07/51/958970751.db2.gz ZAMOWSZFYLQQLP-GDBMZVCRSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001320862732 959427944 /nfs/dbraw/zinc/42/79/44/959427944.db2.gz LIIQAVKSMRQDEL-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321083390 959582725 /nfs/dbraw/zinc/58/27/25/959582725.db2.gz IWLKYDIIWPINFV-LQYUOIDQSA-N 2 1 277.412 1.146 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001321112565 959597005 /nfs/dbraw/zinc/59/70/05/959597005.db2.gz SEMCNTFCMQVFJO-QDNWOOLPSA-N 2 1 291.439 1.841 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001323107305 960459818 /nfs/dbraw/zinc/45/98/18/960459818.db2.gz ADMOGTDHWGLJQR-LSDHHAIUSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001324066123 961151023 /nfs/dbraw/zinc/15/10/23/961151023.db2.gz BXVVUAJLPOIJLL-LSDHHAIUSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC001441900251 964776000 /nfs/dbraw/zinc/77/60/00/964776000.db2.gz ZZJDWKLRBLWSEE-LLVKDONJSA-N 2 1 264.373 1.062 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001448773487 967249988 /nfs/dbraw/zinc/24/99/88/967249988.db2.gz OUHFXBDDVQQDIL-QWHCGFSZSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001495796352 972638099 /nfs/dbraw/zinc/63/80/99/972638099.db2.gz LPYGZBCTVMCDAY-HOCLYGCPSA-N 2 1 279.428 1.390 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCCC ZINC001496717979 973065108 /nfs/dbraw/zinc/06/51/08/973065108.db2.gz GJJZOBPINYRMOF-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCCC ZINC001496717979 973065128 /nfs/dbraw/zinc/06/51/28/973065128.db2.gz GJJZOBPINYRMOF-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCCC ZINC001496717979 973065144 /nfs/dbraw/zinc/06/51/44/973065144.db2.gz GJJZOBPINYRMOF-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCCC ZINC001496717979 973065161 /nfs/dbraw/zinc/06/51/61/973065161.db2.gz GJJZOBPINYRMOF-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001498424305 973899762 /nfs/dbraw/zinc/89/97/62/973899762.db2.gz DRKBCZVPBGMFGI-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498424305 973899775 /nfs/dbraw/zinc/89/97/75/973899775.db2.gz DRKBCZVPBGMFGI-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498424305 973899787 /nfs/dbraw/zinc/89/97/87/973899787.db2.gz DRKBCZVPBGMFGI-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001499261926 974223893 /nfs/dbraw/zinc/22/38/93/974223893.db2.gz RIWPEYXWKOGOIY-GJZGRUSLSA-N 2 1 291.439 1.818 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001499858215 974316362 /nfs/dbraw/zinc/31/63/62/974316362.db2.gz SPWPYBCVZVFCPG-DZGCQCFKSA-N 2 1 288.395 1.184 10 30 CDEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500378068 974429576 /nfs/dbraw/zinc/42/95/76/974429576.db2.gz HPXNNSWFXQETAH-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001502546779 974749747 /nfs/dbraw/zinc/74/97/47/974749747.db2.gz XTCFWIRPOFQLIH-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001506065017 975104841 /nfs/dbraw/zinc/10/48/41/975104841.db2.gz HFKLZPAIEWOLKY-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001401222345 975529426 /nfs/dbraw/zinc/52/94/26/975529426.db2.gz HPYAWTHQDWAKRL-LLVKDONJSA-N 2 1 284.791 1.381 10 30 CDEEMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001508153986 975622732 /nfs/dbraw/zinc/62/27/32/975622732.db2.gz DCHWKWTVNFUBPZ-UYSNPLJNSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[N@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001508216223 975641949 /nfs/dbraw/zinc/64/19/49/975641949.db2.gz WMALGTBJSYWDTR-UHFFFAOYSA-N 2 1 288.395 1.516 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001508216223 975641955 /nfs/dbraw/zinc/64/19/55/975641955.db2.gz WMALGTBJSYWDTR-UHFFFAOYSA-N 2 1 288.395 1.516 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001492879799 976388221 /nfs/dbraw/zinc/38/82/21/976388221.db2.gz WXPMTEUPWFTCFR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492879799 976388230 /nfs/dbraw/zinc/38/82/30/976388230.db2.gz WXPMTEUPWFTCFR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001492879799 976388239 /nfs/dbraw/zinc/38/82/39/976388239.db2.gz WXPMTEUPWFTCFR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001569821829 1170006150 /nfs/dbraw/zinc/00/61/50/1170006150.db2.gz SXENSCDFGOTAIW-GJZGRUSLSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001677033432 1174307061 /nfs/dbraw/zinc/30/70/61/1174307061.db2.gz ZIYDRKMISGCIFB-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001570825013 1170288908 /nfs/dbraw/zinc/28/89/08/1170288908.db2.gz KCFBWSXDALXZLY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[C@H]1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000651704332 398158589 /nfs/dbraw/zinc/15/85/89/398158589.db2.gz FPBGTNLWWQFOIC-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CC[C@H](C#N)C1)CCO2 ZINC000592184282 342679715 /nfs/dbraw/zinc/67/97/15/342679715.db2.gz IHTAEDMDVSEGLJ-KBPBESRZSA-N 2 1 263.385 1.475 10 30 CDEEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440653 342906916 /nfs/dbraw/zinc/90/69/16/342906916.db2.gz HJQAUYWMZOKEMJ-ZIAGYGMSSA-N 2 1 280.416 1.198 10 30 CDEEMP C[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000594440626 342907100 /nfs/dbraw/zinc/90/71/00/342907100.db2.gz HDCDBZRBCAREJJ-QLFBSQMISA-N 2 1 294.443 1.634 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594440743 342907430 /nfs/dbraw/zinc/90/74/30/342907430.db2.gz INVYCFINDSSNIH-IHRRRGAJSA-N 2 1 278.400 1.141 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000600714575 342242357 /nfs/dbraw/zinc/24/23/57/342242357.db2.gz AIRDQVFQNQHUCJ-IHRRRGAJSA-N 2 1 263.385 1.258 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000600714575 342242358 /nfs/dbraw/zinc/24/23/58/342242358.db2.gz AIRDQVFQNQHUCJ-IHRRRGAJSA-N 2 1 263.385 1.258 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600719901 342244688 /nfs/dbraw/zinc/24/46/88/342244688.db2.gz FLUAYAORAJXLNA-HUUCEWRRSA-N 2 1 279.428 1.751 10 30 CDEEMP C[N@@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCc2nccn2C1 ZINC000328657079 345448314 /nfs/dbraw/zinc/44/83/14/345448314.db2.gz ZYYSZONAQOFUFK-ZIAGYGMSSA-N 2 1 271.368 1.821 10 30 CDEEMP C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657079 345448317 /nfs/dbraw/zinc/44/83/17/345448317.db2.gz ZYYSZONAQOFUFK-ZIAGYGMSSA-N 2 1 271.368 1.821 10 30 CDEEMP C=C(Cl)C[N@H+](C)CC1CC[NH+](CC(=O)NC)CC1 ZINC000071915957 356114195 /nfs/dbraw/zinc/11/41/95/356114195.db2.gz HQBUFYZFXNPIFP-UHFFFAOYSA-N 2 1 273.808 1.129 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178297999 189103779 /nfs/dbraw/zinc/10/37/79/189103779.db2.gz 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ZINC001663548863 1172721357 /nfs/dbraw/zinc/72/13/57/1172721357.db2.gz WSRMKWQMUXVHCM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001663548863 1172721364 /nfs/dbraw/zinc/72/13/64/1172721364.db2.gz WSRMKWQMUXVHCM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001664685827 1172886037 /nfs/dbraw/zinc/88/60/37/1172886037.db2.gz FEZYDPPPDQISEO-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001664685827 1172886044 /nfs/dbraw/zinc/88/60/44/1172886044.db2.gz FEZYDPPPDQISEO-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001664685827 1172886050 /nfs/dbraw/zinc/88/60/50/1172886050.db2.gz FEZYDPPPDQISEO-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCCC[C@@H]1CO ZINC000043683954 175092333 /nfs/dbraw/zinc/09/23/33/175092333.db2.gz NJTVGBYPPGYWNK-CYBMUJFWSA-N 2 1 264.394 1.405 10 30 CDEEMP N#Cc1cccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000044513591 175188908 /nfs/dbraw/zinc/18/89/08/175188908.db2.gz PACQVEFJRZULJG-UHFFFAOYSA-N 2 1 272.352 1.167 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000130832278 264369386 /nfs/dbraw/zinc/36/93/86/264369386.db2.gz LDJSYQZKVXYLPV-GFCCVEGCSA-N 2 1 254.422 1.810 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669910992 1173629347 /nfs/dbraw/zinc/62/93/47/1173629347.db2.gz SEPLOMQIBJPEPS-CQSZACIVSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC)CC1 ZINC001671465458 1173683430 /nfs/dbraw/zinc/68/34/30/1173683430.db2.gz VMKARUIDXMYJED-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000262823549 330034224 /nfs/dbraw/zinc/03/42/24/330034224.db2.gz YXRLXXNKCRFGQR-LBPRGKRZSA-N 2 1 250.390 1.331 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000262823549 330034226 /nfs/dbraw/zinc/03/42/26/330034226.db2.gz YXRLXXNKCRFGQR-LBPRGKRZSA-N 2 1 250.390 1.331 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CC12CCOCC2 ZINC000262852471 330035342 /nfs/dbraw/zinc/03/53/42/330035342.db2.gz XETGDPHGDDHXPA-UONOGXRCSA-N 2 1 294.443 1.192 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267999124 1159643284 /nfs/dbraw/zinc/64/32/84/1159643284.db2.gz CBPOQKVBOWNIRK-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001269602085 1160065538 /nfs/dbraw/zinc/06/55/38/1160065538.db2.gz SFVSTBPPQIMZBO-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000684628553 482919982 /nfs/dbraw/zinc/91/99/82/482919982.db2.gz QEUMHIJSMRHVFB-CQSZACIVSA-N 2 1 277.368 1.149 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001713539953 1178632603 /nfs/dbraw/zinc/63/26/03/1178632603.db2.gz PFHNHLPYKAGNLR-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001713539953 1178632607 /nfs/dbraw/zinc/63/26/07/1178632607.db2.gz PFHNHLPYKAGNLR-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001733130502 1161533227 /nfs/dbraw/zinc/53/32/27/1161533227.db2.gz FEKYNDSOEDPYRC-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717472313 1180692794 /nfs/dbraw/zinc/69/27/94/1180692794.db2.gz KZRSCXRGDOIKSI-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717472313 1180692797 /nfs/dbraw/zinc/69/27/97/1180692797.db2.gz KZRSCXRGDOIKSI-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717472313 1180692800 /nfs/dbraw/zinc/69/28/00/1180692800.db2.gz KZRSCXRGDOIKSI-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001722915897 1181493599 /nfs/dbraw/zinc/49/35/99/1181493599.db2.gz JDUWIOBGNNHFHD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001731804655 1182596137 /nfs/dbraw/zinc/59/61/37/1182596137.db2.gz PRCXWDDCNJSCAP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001731804655 1182596143 /nfs/dbraw/zinc/59/61/43/1182596143.db2.gz PRCXWDDCNJSCAP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001734552080 1183822531 /nfs/dbraw/zinc/82/25/31/1183822531.db2.gz YOOMGFHCJOMSMJ-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP CC1(C)COCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609888 520505324 /nfs/dbraw/zinc/50/53/24/520505324.db2.gz DXJAVGHHWONNFV-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP CC1(C)COCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609888 520505333 /nfs/dbraw/zinc/50/53/33/520505333.db2.gz DXJAVGHHWONNFV-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP C[N@@H+](CCOc1cccc(C#CC[NH3+])c1)[C@H]1CCSC1 ZINC000049609004 522910426 /nfs/dbraw/zinc/91/04/26/522910426.db2.gz GDYHVQHIQMAXNQ-HNNXBMFYSA-N 2 1 290.432 1.813 10 30 CDEEMP CC[C@H]1COCC[N@@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609360 523335970 /nfs/dbraw/zinc/33/59/70/523335970.db2.gz MAODWPWZANJGEC-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@H]1COCC[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609360 523335972 /nfs/dbraw/zinc/33/59/72/523335972.db2.gz MAODWPWZANJGEC-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP COc1ccc(C[N@@H+]2CCOC(C)(C)C2)cc1C#CC[NH3+] ZINC000049609329 524035044 /nfs/dbraw/zinc/03/50/44/524035044.db2.gz PSRAQONEEFNRQP-UHFFFAOYSA-N 2 1 288.391 1.616 10 30 CDEEMP COc1ccc(C[N@H+]2CCOC(C)(C)C2)cc1C#CC[NH3+] ZINC000049609329 524035047 /nfs/dbraw/zinc/03/50/47/524035047.db2.gz PSRAQONEEFNRQP-UHFFFAOYSA-N 2 1 288.391 1.616 10 30 CDEEMP [NH3+]CC#Cc1cc(C[NH+]2CCSCC2)ccc1F ZINC000049608774 527147743 /nfs/dbraw/zinc/14/77/43/527147743.db2.gz BHYYCCQAEQCJLR-UHFFFAOYSA-N 2 1 264.369 1.685 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[NH+]2CCSCC2)c(F)c1 ZINC000049608771 527148736 /nfs/dbraw/zinc/14/87/36/527148736.db2.gz UULBTCUOKLTMDA-UHFFFAOYSA-N 2 1 264.369 1.685 10 30 CDEEMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC3(CCOCC3)C2)C1 ZINC000925792096 617719751 /nfs/dbraw/zinc/71/97/51/617719751.db2.gz OVMQDNMAQGEXOP-ILXRZTDVSA-N 2 1 277.412 1.817 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923363221 618323976 /nfs/dbraw/zinc/32/39/76/618323976.db2.gz AMKLQQQZIZGRFV-ILXRZTDVSA-N 2 1 252.402 1.778 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000900352685 622901470 /nfs/dbraw/zinc/90/14/70/622901470.db2.gz IAASODYPALUVQD-IJEWVQPXSA-N 2 1 295.471 1.977 10 30 CDEEMP C[C@@H]1C[NH2+]C[C@H]1C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000903473792 626004661 /nfs/dbraw/zinc/00/46/61/626004661.db2.gz ACDMZQHRTJNOFK-CJNGLKHVSA-N 2 1 269.392 1.966 10 30 CDEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001699724315 1158521043 /nfs/dbraw/zinc/52/10/43/1158521043.db2.gz IJBKTCMJDAHTHF-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001266410033 1158534825 /nfs/dbraw/zinc/53/48/25/1158534825.db2.gz WXUCBRVDQUXARP-HOTGVXAUSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001670596528 1158655159 /nfs/dbraw/zinc/65/51/59/1158655159.db2.gz WLQKTBQOGCVFRK-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001670691639 1158693089 /nfs/dbraw/zinc/69/30/89/1158693089.db2.gz KUVANQHPCUFKCM-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001670691639 1158693091 /nfs/dbraw/zinc/69/30/91/1158693091.db2.gz KUVANQHPCUFKCM-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001670691639 1158693093 /nfs/dbraw/zinc/69/30/93/1158693093.db2.gz KUVANQHPCUFKCM-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001670691639 1158693096 /nfs/dbraw/zinc/69/30/96/1158693096.db2.gz KUVANQHPCUFKCM-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691059380 1158856727 /nfs/dbraw/zinc/85/67/27/1158856727.db2.gz VREZLNUYZCXCQZ-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691059380 1158856741 /nfs/dbraw/zinc/85/67/41/1158856741.db2.gz VREZLNUYZCXCQZ-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691059377 1158857325 /nfs/dbraw/zinc/85/73/25/1158857325.db2.gz VREZLNUYZCXCQZ-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691059377 1158857338 /nfs/dbraw/zinc/85/73/38/1158857338.db2.gz VREZLNUYZCXCQZ-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001483492918 1160929996 /nfs/dbraw/zinc/92/99/96/1160929996.db2.gz MXAJTWVIOCMJLT-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001566528034 1168321726 /nfs/dbraw/zinc/32/17/26/1168321726.db2.gz HAVCZYPKJXOUCW-HOCLYGCPSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001566723090 1168400297 /nfs/dbraw/zinc/40/02/97/1168400297.db2.gz VXNHJRDWFKBNSS-CVEARBPZSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141458 1169687952 /nfs/dbraw/zinc/68/79/52/1169687952.db2.gz QVLNMMZPHYJPBT-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001569824299 1170006735 /nfs/dbraw/zinc/00/67/35/1170006735.db2.gz PMASRQHFTHPBSB-ZFWWWQNUSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001570359519 1170142061 /nfs/dbraw/zinc/14/20/61/1170142061.db2.gz WVNKSLMOQYRDCD-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001662351440 1172536269 /nfs/dbraw/zinc/53/62/69/1172536269.db2.gz VYGYVAKKMOZIPP-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001666211521 1173119248 /nfs/dbraw/zinc/11/92/48/1173119248.db2.gz IRQOIFZCJRSMDJ-GDBMZVCRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667643425 1173304639 /nfs/dbraw/zinc/30/46/39/1173304639.db2.gz PTDLLYNEXUFQDW-UHFFFAOYSA-N 2 1 299.378 1.457 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001667643425 1173304647 /nfs/dbraw/zinc/30/46/47/1173304647.db2.gz PTDLLYNEXUFQDW-UHFFFAOYSA-N 2 1 299.378 1.457 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019204 1174059953 /nfs/dbraw/zinc/05/99/53/1174059953.db2.gz APJXSOHUBBGSNM-ZDUSSCGKSA-N 2 1 299.378 1.503 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019204 1174059957 /nfs/dbraw/zinc/05/99/57/1174059957.db2.gz APJXSOHUBBGSNM-ZDUSSCGKSA-N 2 1 299.378 1.503 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)(C)C ZINC001677252278 1174342595 /nfs/dbraw/zinc/34/25/95/1174342595.db2.gz GKODGJGDYXYYLR-RRFJBIMHSA-N 2 1 293.455 1.470 10 30 CDEEMP C=CCCN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001688699359 1175012932 /nfs/dbraw/zinc/01/29/32/1175012932.db2.gz AFCFIASICMXADS-CVEARBPZSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001688699359 1175012939 /nfs/dbraw/zinc/01/29/39/1175012939.db2.gz AFCFIASICMXADS-CVEARBPZSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001688699359 1175012945 /nfs/dbraw/zinc/01/29/45/1175012945.db2.gz AFCFIASICMXADS-CVEARBPZSA-N 2 1 291.439 1.724 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001689329954 1175147253 /nfs/dbraw/zinc/14/72/53/1175147253.db2.gz XVOOTBDPVRCLKX-QLFBSQMISA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001690210272 1175404293 /nfs/dbraw/zinc/40/42/93/1175404293.db2.gz ZYRWDMXRRLKXNK-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001690407382 1175464736 /nfs/dbraw/zinc/46/47/36/1175464736.db2.gz JIHWBTQAWPTELC-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001690824981 1175580905 /nfs/dbraw/zinc/58/09/05/1175580905.db2.gz OPCYCHPIOBKGON-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC=C ZINC001698828359 1175952718 /nfs/dbraw/zinc/95/27/18/1175952718.db2.gz HIZCBHVMYQIUTA-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC=C ZINC001698828359 1175952722 /nfs/dbraw/zinc/95/27/22/1175952722.db2.gz HIZCBHVMYQIUTA-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC001698878915 1175976546 /nfs/dbraw/zinc/97/65/46/1175976546.db2.gz OMLGAFXTYYLKDY-OAHLLOKOSA-N 2 1 281.444 1.470 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001698902454 1175981125 /nfs/dbraw/zinc/98/11/25/1175981125.db2.gz UHRZJGHGMPAFEJ-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001700178911 1176784155 /nfs/dbraw/zinc/78/41/55/1176784155.db2.gz LLDXMJXWOQWLPT-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001700178911 1176784159 /nfs/dbraw/zinc/78/41/59/1176784159.db2.gz LLDXMJXWOQWLPT-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001700178911 1176784162 /nfs/dbraw/zinc/78/41/62/1176784162.db2.gz LLDXMJXWOQWLPT-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187142 1176791866 /nfs/dbraw/zinc/79/18/66/1176791866.db2.gz JTHWAJFQFPJITA-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700187142 1176791873 /nfs/dbraw/zinc/79/18/73/1176791873.db2.gz JTHWAJFQFPJITA-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001700187142 1176791888 /nfs/dbraw/zinc/79/18/88/1176791888.db2.gz JTHWAJFQFPJITA-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700278704 1176829182 /nfs/dbraw/zinc/82/91/82/1176829182.db2.gz HBPVEJYVIVZIHN-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC1 ZINC001700324804 1176851340 /nfs/dbraw/zinc/85/13/40/1176851340.db2.gz DMONPAIOQQFINS-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC1 ZINC001700324804 1176851347 /nfs/dbraw/zinc/85/13/47/1176851347.db2.gz DMONPAIOQQFINS-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001700479164 1176969133 /nfs/dbraw/zinc/96/91/33/1176969133.db2.gz UYCOADSVROASKS-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001700479164 1176969139 /nfs/dbraw/zinc/96/91/39/1176969139.db2.gz UYCOADSVROASKS-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001700479164 1176969146 /nfs/dbraw/zinc/96/91/46/1176969146.db2.gz UYCOADSVROASKS-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001700575589 1177023459 /nfs/dbraw/zinc/02/34/59/1177023459.db2.gz HXLPPTVAIGIVBU-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001700575589 1177023470 /nfs/dbraw/zinc/02/34/70/1177023470.db2.gz HXLPPTVAIGIVBU-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001700575589 1177023479 /nfs/dbraw/zinc/02/34/79/1177023479.db2.gz HXLPPTVAIGIVBU-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001712956779 1178267548 /nfs/dbraw/zinc/26/75/48/1178267548.db2.gz JFWFVMYTDBHFIF-UHFFFAOYSA-N 2 1 298.390 1.718 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001713539953 1178632599 /nfs/dbraw/zinc/63/25/99/1178632599.db2.gz PFHNHLPYKAGNLR-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001713635946 1178690983 /nfs/dbraw/zinc/69/09/83/1178690983.db2.gz SCGUDZRDINMOTI-HNNXBMFYSA-N 2 1 285.407 1.433 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714469731 1179157135 /nfs/dbraw/zinc/15/71/35/1179157135.db2.gz QZIJUVDPKBQJGH-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714473171 1179158100 /nfs/dbraw/zinc/15/81/00/1179158100.db2.gz OUIDYEZHXGQMRM-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714566341 1179222363 /nfs/dbraw/zinc/22/23/63/1179222363.db2.gz YSEQZBNSLJFCFW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001714566341 1179222367 /nfs/dbraw/zinc/22/23/67/1179222367.db2.gz YSEQZBNSLJFCFW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001714566341 1179222372 /nfs/dbraw/zinc/22/23/72/1179222372.db2.gz YSEQZBNSLJFCFW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001714731202 1179364697 /nfs/dbraw/zinc/36/46/97/1179364697.db2.gz SDHKYPQLFUKKOU-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001714935211 1179462560 /nfs/dbraw/zinc/46/25/60/1179462560.db2.gz QWSIHBMZVXHYMW-HNNXBMFYSA-N 2 1 277.412 1.095 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001715078426 1179543306 /nfs/dbraw/zinc/54/33/06/1179543306.db2.gz ADBUTLUFFPSNMP-HIFRSBDPSA-N 2 1 265.401 1.143 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715368858 1179645991 /nfs/dbraw/zinc/64/59/91/1179645991.db2.gz KWBXRFKFMKGXCQ-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001715504241 1179685742 /nfs/dbraw/zinc/68/57/42/1179685742.db2.gz OHGBZZGHGGKISJ-LSDHHAIUSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715682281 1179763773 /nfs/dbraw/zinc/76/37/73/1179763773.db2.gz JUPCUYJQYYUHNO-DGCLKSJQSA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716062253 1180027901 /nfs/dbraw/zinc/02/79/01/1180027901.db2.gz DSJGAAKTPNYQQL-GOEBONIOSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001716632004 1180315969 /nfs/dbraw/zinc/31/59/69/1180315969.db2.gz SIYRBTSGSGYMOE-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001716661159 1180347005 /nfs/dbraw/zinc/34/70/05/1180347005.db2.gz FTJDACGOCKJCIO-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001716687182 1180370098 /nfs/dbraw/zinc/37/00/98/1180370098.db2.gz PZBXWJUIKRTKFF-AWEZNQCLSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001716820393 1180424555 /nfs/dbraw/zinc/42/45/55/1180424555.db2.gz RIDPVAVRUJHYMK-OAHLLOKOSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717585359 1180750618 /nfs/dbraw/zinc/75/06/18/1180750618.db2.gz PLYWBRBIEHOIJS-CQSZACIVSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001722915897 1181493588 /nfs/dbraw/zinc/49/35/88/1181493588.db2.gz JDUWIOBGNNHFHD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001722915897 1181493594 /nfs/dbraw/zinc/49/35/94/1181493594.db2.gz JDUWIOBGNNHFHD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001723035858 1181512115 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1.376 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)CCC[NH+]1CCCCC1 ZINC001731284150 1182296369 /nfs/dbraw/zinc/29/63/69/1182296369.db2.gz UJKWRZHXGUKJEW-UHFFFAOYSA-N 2 1 293.455 1.714 10 30 CDEEMP C=C(C)C[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001731385966 1182349667 /nfs/dbraw/zinc/34/96/67/1182349667.db2.gz PNMRSSKKDCURMR-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001731677376 1182514453 /nfs/dbraw/zinc/51/44/53/1182514453.db2.gz DQBPVBIOCYMQHU-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001731720700 1182531982 /nfs/dbraw/zinc/53/19/82/1182531982.db2.gz SXINFQBWQOPWNS-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001731720700 1182531985 /nfs/dbraw/zinc/53/19/85/1182531985.db2.gz SXINFQBWQOPWNS-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001731720700 1182531990 /nfs/dbraw/zinc/53/19/90/1182531990.db2.gz SXINFQBWQOPWNS-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001731860596 1182632620 /nfs/dbraw/zinc/63/26/20/1182632620.db2.gz MFTDCBTUZNKDPQ-CQSZACIVSA-N 2 1 265.401 1.096 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001731883308 1182650062 /nfs/dbraw/zinc/65/00/62/1182650062.db2.gz DKGQGXMQLRITOV-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CC1 ZINC001731883308 1182650066 /nfs/dbraw/zinc/65/00/66/1182650066.db2.gz DKGQGXMQLRITOV-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001731885650 1182651923 /nfs/dbraw/zinc/65/19/23/1182651923.db2.gz TZFOUZBQMAZOAO-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731885650 1182651926 /nfs/dbraw/zinc/65/19/26/1182651926.db2.gz TZFOUZBQMAZOAO-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731885650 1182651928 /nfs/dbraw/zinc/65/19/28/1182651928.db2.gz TZFOUZBQMAZOAO-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001732547289 1183002650 /nfs/dbraw/zinc/00/26/50/1183002650.db2.gz MLRXPPLSPQCLRP-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733053260 1183265874 /nfs/dbraw/zinc/26/58/74/1183265874.db2.gz ILAAAUYOFZQRTD-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733360454 1183409817 /nfs/dbraw/zinc/40/98/17/1183409817.db2.gz UFWMIAFZXZRHMJ-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001733451818 1183435970 /nfs/dbraw/zinc/43/59/70/1183435970.db2.gz RROCFVQWEVIRGU-OAHLLOKOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001733846075 1183548105 /nfs/dbraw/zinc/54/81/05/1183548105.db2.gz GUDQQCMFYMDLGE-ZFWWWQNUSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001733943360 1183578495 /nfs/dbraw/zinc/57/84/95/1183578495.db2.gz JIKGKWSSWBONHW-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001733943360 1183578498 /nfs/dbraw/zinc/57/84/98/1183578498.db2.gz JIKGKWSSWBONHW-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001733943360 1183578501 /nfs/dbraw/zinc/57/85/01/1183578501.db2.gz JIKGKWSSWBONHW-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH2+][C@H](CCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001734288316 1183714393 /nfs/dbraw/zinc/71/43/93/1183714393.db2.gz LYDYOPATWUSUQF-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP CN(CCC#N)C(=O)CC[NH+]1CCC(C)([NH+](C)C)CC1 ZINC000709906412 758846307 /nfs/dbraw/zinc/84/63/07/758846307.db2.gz UINYTLCMAGPDME-UHFFFAOYSA-N 2 1 280.416 1.165 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000803121862 759012904 /nfs/dbraw/zinc/01/29/04/759012904.db2.gz MIIAUPFODCDBKJ-UHFFFAOYSA-N 2 1 293.455 1.899 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000928648850 770847911 /nfs/dbraw/zinc/84/79/11/770847911.db2.gz SFTWZJLDKDHYGQ-CQSZACIVSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926489114 771488704 /nfs/dbraw/zinc/48/87/04/771488704.db2.gz DMYFIPQBHFBVBY-GJZGRUSLSA-N 2 1 252.402 1.592 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000926489114 771488720 /nfs/dbraw/zinc/48/87/20/771488720.db2.gz DMYFIPQBHFBVBY-GJZGRUSLSA-N 2 1 252.402 1.592 10 30 CDEEMP C[NH+](C)C1(C)CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000931357183 772066776 /nfs/dbraw/zinc/06/67/76/772066776.db2.gz SIPWYROTTLHNOK-CQSZACIVSA-N 2 1 279.428 1.847 10 30 CDEEMP C[NH+]=C(NCc1ccco1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261949369 772773452 /nfs/dbraw/zinc/77/34/52/772773452.db2.gz GWOHDYFMUBRRGL-GXTWGEPZSA-N 2 1 278.400 1.673 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866702571 773267399 /nfs/dbraw/zinc/26/73/99/773267399.db2.gz CPCDJTXTONODJA-SWLSCSKDSA-N 2 1 267.417 1.374 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001506892614 1167777417 /nfs/dbraw/zinc/77/74/17/1167777417.db2.gz WKOQFIYROYUFAR-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682839 1168032051 /nfs/dbraw/zinc/03/20/51/1168032051.db2.gz OASLPRXDDDTPAT-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001566839052 1168439958 /nfs/dbraw/zinc/43/99/58/1168439958.db2.gz LMJRXFFROSPZBQ-QLFBSQMISA-N 2 1 279.428 1.672 10 30 CDEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001566929942 1168470942 /nfs/dbraw/zinc/47/09/42/1168470942.db2.gz MNLGRUQIVUEYHV-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001566929942 1168470947 /nfs/dbraw/zinc/47/09/47/1168470947.db2.gz MNLGRUQIVUEYHV-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001566929942 1168470949 /nfs/dbraw/zinc/47/09/49/1168470949.db2.gz MNLGRUQIVUEYHV-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001567027894 1168517742 /nfs/dbraw/zinc/51/77/42/1168517742.db2.gz CFODWRHUIVRIRW-CYBMUJFWSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001272456961 913141604 /nfs/dbraw/zinc/14/16/04/913141604.db2.gz LSUPFCVNWHWIPW-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567415628 1168744048 /nfs/dbraw/zinc/74/40/48/1168744048.db2.gz PIABYBOOZRQQFG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001266362665 894571567 /nfs/dbraw/zinc/57/15/67/894571567.db2.gz PEUWKMJZDWEMQA-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362665 894571579 /nfs/dbraw/zinc/57/15/79/894571579.db2.gz PEUWKMJZDWEMQA-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001266362665 894571588 /nfs/dbraw/zinc/57/15/88/894571588.db2.gz PEUWKMJZDWEMQA-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001266530933 895243965 /nfs/dbraw/zinc/24/39/65/895243965.db2.gz OJCIDQGQJTYDTJ-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266638152 895658709 /nfs/dbraw/zinc/65/87/09/895658709.db2.gz JWJSGVBBQSXFLX-LXTVHRRPSA-N 2 1 279.428 1.530 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001266836189 896155781 /nfs/dbraw/zinc/15/57/81/896155781.db2.gz ILMFIJMPOSFHLD-UHFFFAOYSA-N 2 1 289.851 1.765 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267302980 897531289 /nfs/dbraw/zinc/53/12/89/897531289.db2.gz JGXBRFKQVCTEMB-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001267302980 897531301 /nfs/dbraw/zinc/53/13/01/897531301.db2.gz JGXBRFKQVCTEMB-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001267310159 897560176 /nfs/dbraw/zinc/56/01/76/897560176.db2.gz RFELXSJPMXMIGJ-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001267310159 897560186 /nfs/dbraw/zinc/56/01/86/897560186.db2.gz RFELXSJPMXMIGJ-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001267310159 897560199 /nfs/dbraw/zinc/56/01/99/897560199.db2.gz RFELXSJPMXMIGJ-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001267341183 897648826 /nfs/dbraw/zinc/64/88/26/897648826.db2.gz WEIBOQXMLYAYHZ-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001267341183 897648836 /nfs/dbraw/zinc/64/88/36/897648836.db2.gz WEIBOQXMLYAYHZ-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267491891 898146976 /nfs/dbraw/zinc/14/69/76/898146976.db2.gz PMSFZXZVBVYDHR-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001567644476 1168902595 /nfs/dbraw/zinc/90/25/95/1168902595.db2.gz MTUGPPLASYFJOW-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001567644476 1168902599 /nfs/dbraw/zinc/90/25/99/1168902599.db2.gz MTUGPPLASYFJOW-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267654751 899181762 /nfs/dbraw/zinc/18/17/62/899181762.db2.gz GRXAYBOVHTUQLI-TZMCWYRMSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267654751 899181767 /nfs/dbraw/zinc/18/17/67/899181767.db2.gz 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293.455 1.729 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317480270 956670753 /nfs/dbraw/zinc/67/07/53/956670753.db2.gz UDXCIBDTIWKVDH-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317480270 956670754 /nfs/dbraw/zinc/67/07/54/956670754.db2.gz UDXCIBDTIWKVDH-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001317480270 956670759 /nfs/dbraw/zinc/67/07/59/956670759.db2.gz UDXCIBDTIWKVDH-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317097327 957266619 /nfs/dbraw/zinc/26/66/19/957266619.db2.gz SMAIFEZQHXGLJJ-QEJZJMRPSA-N 2 1 290.411 1.783 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001317134719 957297714 /nfs/dbraw/zinc/29/77/14/957297714.db2.gz CBCDCEQOHSXOJS-AWEZNQCLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001331898295 957322334 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C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001320440627 959173408 /nfs/dbraw/zinc/17/34/08/959173408.db2.gz UXKZBJRWUCYQBZ-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001322042913 960065994 /nfs/dbraw/zinc/06/59/94/960065994.db2.gz ZKRXCAMJJKXXDQ-HOCLYGCPSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCc2nccn2C1 ZINC001492978275 961082285 /nfs/dbraw/zinc/08/22/85/961082285.db2.gz QHYAECLKOQXEMZ-ZDUSSCGKSA-N 2 1 276.384 1.070 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001337559298 961276364 /nfs/dbraw/zinc/27/63/64/961276364.db2.gz UYRIAQZMRRPSFL-CALCHBBNSA-N 2 1 291.439 1.439 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001444108099 965739973 /nfs/dbraw/zinc/73/99/73/965739973.db2.gz OEMFIRSSFRUHOK-ZFWWWQNUSA-N 2 1 299.846 1.708 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001569500165 1169901981 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30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001497911031 973574103 /nfs/dbraw/zinc/57/41/03/973574103.db2.gz RMSNPFPMQBUDMB-CJNGLKHVSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001498096844 973677722 /nfs/dbraw/zinc/67/77/22/973677722.db2.gz SDHQSIRXUDIQCV-GXTWGEPZSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001498314201 973824260 /nfs/dbraw/zinc/82/42/60/973824260.db2.gz QDQIPKDDULERJC-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001498314201 973824268 /nfs/dbraw/zinc/82/42/68/973824268.db2.gz QDQIPKDDULERJC-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314201 973824273 /nfs/dbraw/zinc/82/42/73/973824273.db2.gz QDQIPKDDULERJC-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498401556 973886341 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C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001399929252 976755151 /nfs/dbraw/zinc/75/51/51/976755151.db2.gz HGJSLWYKKGPUMN-OCCSQVGLSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001399929252 976755161 /nfs/dbraw/zinc/75/51/61/976755161.db2.gz HGJSLWYKKGPUMN-OCCSQVGLSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001399929252 976755170 /nfs/dbraw/zinc/75/51/70/976755170.db2.gz HGJSLWYKKGPUMN-OCCSQVGLSA-N 2 1 299.846 1.519 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001675458489 1174116832 /nfs/dbraw/zinc/11/68/32/1174116832.db2.gz LTUUXNGHSURXOT-CYBMUJFWSA-N 2 1 276.384 1.355 10 30 CDEEMP C=CC[N@H+]1C[C@@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001675458489 1174116836 /nfs/dbraw/zinc/11/68/36/1174116836.db2.gz LTUUXNGHSURXOT-CYBMUJFWSA-N 2 1 276.384 1.355 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/Cl ZINC001676365584 1174215693 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30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530165 1170181466 /nfs/dbraw/zinc/18/14/66/1170181466.db2.gz FTZMWBZSJHDTKU-BZUAXINKSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001571371292 1170389805 /nfs/dbraw/zinc/38/98/05/1170389805.db2.gz NBIGMNSYGMMNKI-GOEBONIOSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000592346094 342686060 /nfs/dbraw/zinc/68/60/60/342686060.db2.gz PKRJKIRKZNXQRH-HNNXBMFYSA-N 2 1 294.443 1.420 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441673 342907489 /nfs/dbraw/zinc/90/74/89/342907489.db2.gz UMANQRIGPZVIHA-UONOGXRCSA-N 2 1 280.416 1.388 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000600715724 342244097 /nfs/dbraw/zinc/24/40/97/342244097.db2.gz HTNJTICWTVGNMH-RDBSUJKOSA-N 2 1 263.385 1.258 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600719902 342244632 /nfs/dbraw/zinc/24/46/32/342244632.db2.gz FLUAYAORAJXLNA-LSDHHAIUSA-N 2 1 279.428 1.751 10 30 CDEEMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505541 342914793 /nfs/dbraw/zinc/91/47/93/342914793.db2.gz SSPABTXTBLXCAC-QGZVFWFLSA-N 2 1 289.423 1.890 10 30 CDEEMP C=CC[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000629550879 362985401 /nfs/dbraw/zinc/98/54/01/362985401.db2.gz PTYVMXBFOQYRTC-JTQLQIEISA-N 2 1 250.346 1.661 10 30 CDEEMP C=CC[C@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000629550879 362985408 /nfs/dbraw/zinc/98/54/08/362985408.db2.gz PTYVMXBFOQYRTC-JTQLQIEISA-N 2 1 250.346 1.661 10 30 CDEEMP CNC(=[NH2+])NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000153557513 361358417 /nfs/dbraw/zinc/35/84/17/361358417.db2.gz RFPJFIMGWYTQFR-HNNXBMFYSA-N 2 1 260.385 1.575 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001661202318 1172353127 /nfs/dbraw/zinc/35/31/27/1172353127.db2.gz OUAFHLMCZSHOGX-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001661202318 1172353134 /nfs/dbraw/zinc/35/31/34/1172353134.db2.gz OUAFHLMCZSHOGX-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001661202318 1172353137 /nfs/dbraw/zinc/35/31/37/1172353137.db2.gz OUAFHLMCZSHOGX-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001661554513 1172405528 /nfs/dbraw/zinc/40/55/28/1172405528.db2.gz CBNAZLIOBZSJDD-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001661554513 1172405532 /nfs/dbraw/zinc/40/55/32/1172405532.db2.gz CBNAZLIOBZSJDD-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001661554513 1172405535 /nfs/dbraw/zinc/40/55/35/1172405535.db2.gz CBNAZLIOBZSJDD-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001661748042 1172437424 /nfs/dbraw/zinc/43/74/24/1172437424.db2.gz LERIXYLPKUWBAE-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001661748042 1172437433 /nfs/dbraw/zinc/43/74/33/1172437433.db2.gz LERIXYLPKUWBAE-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001661748042 1172437445 /nfs/dbraw/zinc/43/74/45/1172437445.db2.gz LERIXYLPKUWBAE-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001662334991 1172533206 /nfs/dbraw/zinc/53/32/06/1172533206.db2.gz QYGXETXCCGWBSI-GFCCVEGCSA-N 2 1 292.383 1.164 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663422585 1172691661 /nfs/dbraw/zinc/69/16/61/1172691661.db2.gz JUYXSZVSSXSKGU-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663422585 1172691665 /nfs/dbraw/zinc/69/16/65/1172691665.db2.gz JUYXSZVSSXSKGU-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001663422585 1172691668 /nfs/dbraw/zinc/69/16/68/1172691668.db2.gz JUYXSZVSSXSKGU-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1sccc1C#CC[NH3+] ZINC000043683836 175091581 /nfs/dbraw/zinc/09/15/81/175091581.db2.gz WPAPTMYPSZSKIV-LLVKDONJSA-N 2 1 252.383 1.525 10 30 CDEEMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689077 175095677 /nfs/dbraw/zinc/09/56/77/175095677.db2.gz UNZHJZPKDCALFK-AAEUAGOBSA-N 2 1 291.420 1.144 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1C#CC[NH3+] ZINC000044566220 175208400 /nfs/dbraw/zinc/20/84/00/175208400.db2.gz FWYUTQKLOFFKTO-OAHLLOKOSA-N 2 1 285.391 1.211 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=C)C ZINC001668092132 1173367769 /nfs/dbraw/zinc/36/77/69/1173367769.db2.gz JVGWCNZMHGOROB-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=C)C ZINC001668092132 1173367775 /nfs/dbraw/zinc/36/77/75/1173367775.db2.gz JVGWCNZMHGOROB-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCC[NH+](C)C)C2 ZINC001672352456 1173766923 /nfs/dbraw/zinc/76/69/23/1173766923.db2.gz BCNYHTXYCDJYKY-MUJYYYPQSA-N 2 1 293.455 1.873 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NC[C@@H]1CCC[C@H]1O)=[NH+]C ZINC000262776426 330030781 /nfs/dbraw/zinc/03/07/81/330030781.db2.gz JLRCPEYKZKFELK-RRFJBIMHSA-N 2 1 296.459 1.139 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1CC12CC2 ZINC000263090480 330042998 /nfs/dbraw/zinc/04/29/98/330042998.db2.gz ISMJAHUSKFYPPM-RYUDHWBXSA-N 2 1 250.390 1.175 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714570259 1179225618 /nfs/dbraw/zinc/22/56/18/1179225618.db2.gz DYXIDWMAKRJAEJ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714570259 1179225625 /nfs/dbraw/zinc/22/56/25/1179225625.db2.gz DYXIDWMAKRJAEJ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714570259 1179225633 /nfs/dbraw/zinc/22/56/33/1179225633.db2.gz DYXIDWMAKRJAEJ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001733900478 1183563273 /nfs/dbraw/zinc/56/32/73/1183563273.db2.gz OWCWSPGOMHWLTA-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP COc1ccc(C[N@H+]2CCC[C@H]2C)cc1C#CC[NH3+] ZINC000049608286 524030377 /nfs/dbraw/zinc/03/03/77/524030377.db2.gz UZDHCZIAPJNFBV-CYBMUJFWSA-N 2 1 258.365 1.990 10 30 CDEEMP N#Cc1cccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000070188351 526716360 /nfs/dbraw/zinc/71/63/60/526716360.db2.gz GLQCGVGZYIJTDO-UHFFFAOYSA-N 2 1 286.379 1.558 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001689809598 1175267794 /nfs/dbraw/zinc/26/77/94/1175267794.db2.gz AZXKEQZJPFHCCP-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001689809598 1175267797 /nfs/dbraw/zinc/26/77/97/1175267797.db2.gz 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10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716738010 1180389775 /nfs/dbraw/zinc/38/97/75/1180389775.db2.gz PKRKKYIJBITTGV-ZFWWWQNUSA-N 2 1 279.428 1.578 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001716837212 1180430770 /nfs/dbraw/zinc/43/07/70/1180430770.db2.gz ROVBVTIFCSXYBB-HOCLYGCPSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001716837212 1180430773 /nfs/dbraw/zinc/43/07/73/1180430773.db2.gz ROVBVTIFCSXYBB-HOCLYGCPSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001716837212 1180430777 /nfs/dbraw/zinc/43/07/77/1180430777.db2.gz ROVBVTIFCSXYBB-HOCLYGCPSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851754 1180440219 /nfs/dbraw/zinc/44/02/19/1180440219.db2.gz RLRKYPFISXENFW-CQSZACIVSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716851754 1180440225 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C#CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717495799 1180711805 /nfs/dbraw/zinc/71/18/05/1180711805.db2.gz ZGCOMMFLASNWDI-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001717531250 1180724424 /nfs/dbraw/zinc/72/44/24/1180724424.db2.gz GMBRBTOPHDUPOS-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001717564381 1180741728 /nfs/dbraw/zinc/74/17/28/1180741728.db2.gz GLDNORSXRUIHEH-CYBMUJFWSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001717861251 1180898166 /nfs/dbraw/zinc/89/81/66/1180898166.db2.gz VMSBZDKXTVSGGI-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717861251 1180898177 /nfs/dbraw/zinc/89/81/77/1180898177.db2.gz VMSBZDKXTVSGGI-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717861251 1180898187 /nfs/dbraw/zinc/89/81/87/1180898187.db2.gz VMSBZDKXTVSGGI-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001717952589 1180943829 /nfs/dbraw/zinc/94/38/29/1180943829.db2.gz ZQXNHGLRNRNIDN-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001717952589 1180943835 /nfs/dbraw/zinc/94/38/35/1180943835.db2.gz ZQXNHGLRNRNIDN-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001717952589 1180943839 /nfs/dbraw/zinc/94/38/39/1180943839.db2.gz ZQXNHGLRNRNIDN-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001723528973 1181584156 /nfs/dbraw/zinc/58/41/56/1181584156.db2.gz IXEDHELLLFGJJY-KBPBESRZSA-N 2 1 277.412 1.428 10 30 CDEEMP C#CCC[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724021969 1181630177 /nfs/dbraw/zinc/63/01/77/1181630177.db2.gz GQSNSKUMBBBREQ-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)CCc1cnc[nH]1 ZINC001724854077 1181776022 /nfs/dbraw/zinc/77/60/22/1181776022.db2.gz ZRUTWZUBCSSGGP-UHFFFAOYSA-N 2 1 276.384 1.146 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001725051927 1181836430 /nfs/dbraw/zinc/83/64/30/1181836430.db2.gz DZYIMDSHXUJAFU-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001725051927 1181836434 /nfs/dbraw/zinc/83/64/34/1181836434.db2.gz DZYIMDSHXUJAFU-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725051927 1181836440 /nfs/dbraw/zinc/83/64/40/1181836440.db2.gz DZYIMDSHXUJAFU-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725391665 1181986477 /nfs/dbraw/zinc/98/64/77/1181986477.db2.gz UOLHAPUQWHGEMA-OWCLPIDISA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001725510014 1182029828 /nfs/dbraw/zinc/02/98/28/1182029828.db2.gz DYWSPKAAQRRSLH-ZDUSSCGKSA-N 2 1 276.384 1.076 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C ZINC001725740342 1182117691 /nfs/dbraw/zinc/11/76/91/1182117691.db2.gz PHKBNTGHYCIHMR-BZPMIXESSA-N 2 1 288.395 1.267 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731814348 1182601785 /nfs/dbraw/zinc/60/17/85/1182601785.db2.gz WCGLMACKHHRDEU-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731826632 1182612830 /nfs/dbraw/zinc/61/28/30/1182612830.db2.gz GWLIALUQJGVIJY-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731826632 1182612834 /nfs/dbraw/zinc/61/28/34/1182612834.db2.gz GWLIALUQJGVIJY-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001732003031 1182719860 /nfs/dbraw/zinc/71/98/60/1182719860.db2.gz UOPVVLWKSJXQCY-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732165793 1182824521 /nfs/dbraw/zinc/82/45/21/1182824521.db2.gz QKNXZCJLYHMSAE-AWEZNQCLSA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001732739902 1183104828 /nfs/dbraw/zinc/10/48/28/1183104828.db2.gz XYZSQSCEXOEJFX-AWEZNQCLSA-N 2 1 290.411 1.479 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001733106311 1183292187 /nfs/dbraw/zinc/29/21/87/1183292187.db2.gz DNLFJYKPWRYELU-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](C(C)C)CC1 ZINC001733373801 1183411701 /nfs/dbraw/zinc/41/17/01/1183411701.db2.gz KAAZWJYDROJNKA-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606984 1183477821 /nfs/dbraw/zinc/47/78/21/1183477821.db2.gz MPJBPRJLBOXGMP-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001734060518 1183643030 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C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)[C@@H](C)CC ZINC000876750684 774741639 /nfs/dbraw/zinc/74/16/39/774741639.db2.gz XXZSKSDWZLDBQW-WDEREUQCSA-N 2 1 261.797 1.303 10 30 CDEEMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCC#N)[C@H](C)C1 ZINC000815071041 774837740 /nfs/dbraw/zinc/83/77/40/774837740.db2.gz DAFBHADAPMDKAZ-KGLIPLIRSA-N 2 1 253.390 1.579 10 30 CDEEMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCC#N)[C@H](C)C1 ZINC000815071041 774837741 /nfs/dbraw/zinc/83/77/41/774837741.db2.gz DAFBHADAPMDKAZ-KGLIPLIRSA-N 2 1 253.390 1.579 10 30 CDEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCC#N)[C@H](C)C1 ZINC000815071041 774837742 /nfs/dbraw/zinc/83/77/42/774837742.db2.gz DAFBHADAPMDKAZ-KGLIPLIRSA-N 2 1 253.390 1.579 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000876754351 776917924 /nfs/dbraw/zinc/91/79/24/776917924.db2.gz MYSGYSALFGEGPY-VXGBXAGGSA-N 2 1 271.792 1.057 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCC[NH2+]1 ZINC000877451781 777063761 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10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCCC ZINC001329470562 955933898 /nfs/dbraw/zinc/93/38/98/955933898.db2.gz ISCNDVSMYPKFEJ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317458230 956319619 /nfs/dbraw/zinc/31/96/19/956319619.db2.gz LYNYMWSHPGZGQR-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480683573 956534816 /nfs/dbraw/zinc/53/48/16/956534816.db2.gz OQRQINQGGCBXQE-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCCC ZINC001331473838 957087933 /nfs/dbraw/zinc/08/79/33/957087933.db2.gz HUIQEIBJLBHECB-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCCC ZINC001331473838 957087943 /nfs/dbraw/zinc/08/79/43/957087943.db2.gz HUIQEIBJLBHECB-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+](CC)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001316907321 957112774 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TZPSGBONSVTBFV-ZDUSSCGKSA-N 2 1 276.384 1.124 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001495136362 972423280 /nfs/dbraw/zinc/42/32/80/972423280.db2.gz HWNWSIMYRYZYEB-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCC1 ZINC001320756479 959373841 /nfs/dbraw/zinc/37/38/41/959373841.db2.gz ZEYASHJYFRKGAY-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCC1 ZINC001320756479 959373865 /nfs/dbraw/zinc/37/38/65/959373865.db2.gz ZEYASHJYFRKGAY-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001323166575 960492975 /nfs/dbraw/zinc/49/29/75/960492975.db2.gz DEYDESXTTUUBGR-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001437313959 962800492 /nfs/dbraw/zinc/80/04/92/962800492.db2.gz LTHBHIPHWJFTCN-UONOGXRCSA-N 2 1 299.846 1.519 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC001341652625 963496848 /nfs/dbraw/zinc/49/68/48/963496848.db2.gz WALOHOPGDXZDHW-HIFRSBDPSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421449919 963612738 /nfs/dbraw/zinc/61/27/38/963612738.db2.gz MYALEHIGEPLOGJ-DGCLKSJQSA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001441171736 964403306 /nfs/dbraw/zinc/40/33/06/964403306.db2.gz FXRYDZMZQLODEE-STQMWFEESA-N 2 1 285.819 1.318 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001480474343 967952344 /nfs/dbraw/zinc/95/23/44/967952344.db2.gz YPDDODDVSWKOEQ-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001495815677 972648850 /nfs/dbraw/zinc/64/88/50/972648850.db2.gz RKRNRPXOQATSHU-ZDUSSCGKSA-N 2 1 255.406 1.245 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001374962622 974191407 /nfs/dbraw/zinc/19/14/07/974191407.db2.gz VLYMFLMWMRVIPB-RYUDHWBXSA-N 2 1 273.808 1.175 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001569716513 1169974039 /nfs/dbraw/zinc/97/40/39/1169974039.db2.gz SRQDICIPYAYKFY-NVXWUHKLSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001375560363 974422676 /nfs/dbraw/zinc/42/26/76/974422676.db2.gz ZKKJDYHGRRSJDT-IHRRRGAJSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001500457572 974439123 /nfs/dbraw/zinc/43/91/23/974439123.db2.gz QUSOMYWEAXDSQW-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001502968535 974804600 /nfs/dbraw/zinc/80/46/00/974804600.db2.gz MMZFKSLDMOQNOI-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943569 975052816 /nfs/dbraw/zinc/05/28/16/975052816.db2.gz KQQKADOKJWDQQN-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001506014905 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1.658 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001401876365 975963389 /nfs/dbraw/zinc/96/33/89/975963389.db2.gz SXVPOHOPVLYKJX-OCCSQVGLSA-N 2 1 299.846 1.565 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001569824296 1170006850 /nfs/dbraw/zinc/00/68/50/1170006850.db2.gz PMASRQHFTHPBSB-DZGCQCFKSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001676886391 1174285594 /nfs/dbraw/zinc/28/55/94/1174285594.db2.gz JDXRWKFIHXJWBZ-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001569919409 1170036271 /nfs/dbraw/zinc/03/62/71/1170036271.db2.gz CETYXEOTWPJFGV-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001570275274 1170125363 /nfs/dbraw/zinc/12/53/63/1170125363.db2.gz TYMHGEIHEKOHPF-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001570825624 1170290714 /nfs/dbraw/zinc/29/07/14/1170290714.db2.gz WBMFXLCIUFVOFG-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001660372035 1172204948 /nfs/dbraw/zinc/20/49/48/1172204948.db2.gz LDSITABPGNASMP-AWEZNQCLSA-N 2 1 269.433 1.587 10 30 CDEEMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000528433969 356705300 /nfs/dbraw/zinc/70/53/00/356705300.db2.gz XLUAWINISXYVAM-AWEZNQCLSA-N 2 1 277.412 1.601 10 30 CDEEMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)CC1(C#N)CC1)CC2 ZINC000528433969 356705302 /nfs/dbraw/zinc/70/53/02/356705302.db2.gz XLUAWINISXYVAM-AWEZNQCLSA-N 2 1 277.412 1.601 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001662829345 1172600257 /nfs/dbraw/zinc/60/02/57/1172600257.db2.gz YJSFLVFTLIJBBA-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001662829345 1172600262 /nfs/dbraw/zinc/60/02/62/1172600262.db2.gz YJSFLVFTLIJBBA-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001662829345 1172600268 /nfs/dbraw/zinc/60/02/68/1172600268.db2.gz YJSFLVFTLIJBBA-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011572 391241681 /nfs/dbraw/zinc/24/16/81/391241681.db2.gz QIGXAKVGJIDAHL-AWEZNQCLSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011572 391241685 /nfs/dbraw/zinc/24/16/85/391241685.db2.gz QIGXAKVGJIDAHL-AWEZNQCLSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339011572 391241688 /nfs/dbraw/zinc/24/16/88/391241688.db2.gz QIGXAKVGJIDAHL-AWEZNQCLSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339011572 391241691 /nfs/dbraw/zinc/24/16/91/391241691.db2.gz QIGXAKVGJIDAHL-AWEZNQCLSA-N 2 1 253.390 1.580 10 30 CDEEMP C=CCc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc(OC)c1O ZINC000415014785 391724262 /nfs/dbraw/zinc/72/42/62/391724262.db2.gz XMBONENUUAYOCY-MNOVXSKESA-N 2 1 264.369 1.955 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001663537028 1172719041 /nfs/dbraw/zinc/71/90/41/1172719041.db2.gz JDKZOIXCLHGANG-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663537028 1172719049 /nfs/dbraw/zinc/71/90/49/1172719049.db2.gz JDKZOIXCLHGANG-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663537028 1172719051 /nfs/dbraw/zinc/71/90/51/1172719051.db2.gz JDKZOIXCLHGANG-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664009458 1172800093 /nfs/dbraw/zinc/80/00/93/1172800093.db2.gz YLLSQECFHLTBKH-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001664687161 1172885886 /nfs/dbraw/zinc/88/58/86/1172885886.db2.gz PYQGIRUTADUYQS-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001664687161 1172885892 /nfs/dbraw/zinc/88/58/92/1172885892.db2.gz PYQGIRUTADUYQS-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001664687161 1172885900 /nfs/dbraw/zinc/88/59/00/1172885900.db2.gz PYQGIRUTADUYQS-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC1(C)C[N@H+](Cc2ccc(C#CC[NH3+])s2)CCO1 ZINC000043683751 175092265 /nfs/dbraw/zinc/09/22/65/175092265.db2.gz QTHFCZFQFRNEOR-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP CC1(C)C[N@@H+](Cc2ccc(C#CC[NH3+])s2)CCO1 ZINC000043683751 175092266 /nfs/dbraw/zinc/09/22/66/175092266.db2.gz QTHFCZFQFRNEOR-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044531165 175196232 /nfs/dbraw/zinc/19/62/32/175196232.db2.gz JOTWWMYYIXKYJC-AWEZNQCLSA-N 2 1 286.379 1.558 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CCCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190490 176067152 /nfs/dbraw/zinc/06/71/52/176067152.db2.gz RLLBEGIYFXNKQF-MRXNPFEDSA-N 2 1 286.419 1.804 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CCCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190490 176067153 /nfs/dbraw/zinc/06/71/53/176067153.db2.gz RLLBEGIYFXNKQF-MRXNPFEDSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccccc1C#CCCO)C[C@@H]1CC[N@H+](C)C1 ZINC000071190490 176067154 /nfs/dbraw/zinc/06/71/54/176067154.db2.gz RLLBEGIYFXNKQF-MRXNPFEDSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccccc1C#CCCO)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190490 176067155 /nfs/dbraw/zinc/06/71/55/176067155.db2.gz RLLBEGIYFXNKQF-MRXNPFEDSA-N 2 1 286.419 1.804 10 30 CDEEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccccc1C#CC[NH3+] ZINC000071192977 176074809 /nfs/dbraw/zinc/07/48/09/176074809.db2.gz WTNGJFNZVWLFEW-AWEZNQCLSA-N 2 1 285.391 1.021 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855273 424529480 /nfs/dbraw/zinc/52/94/80/424529480.db2.gz WCKAWTUAKUYEIC-XJKSGUPXSA-N 2 1 279.428 1.674 10 30 CDEEMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001671648427 1173700195 /nfs/dbraw/zinc/70/01/95/1173700195.db2.gz HHTJWKZXBSLFLP-HOCLYGCPSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001672353913 1173768089 /nfs/dbraw/zinc/76/80/89/1173768089.db2.gz ZTAMSDSKGNQPPW-MUJYYYPQSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531460 1173782410 /nfs/dbraw/zinc/78/24/10/1173782410.db2.gz VDEKAFLQXVYEFE-CABCVRRESA-N 2 1 291.439 1.580 10 30 CDEEMP C[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000262427181 330009782 /nfs/dbraw/zinc/00/97/82/330009782.db2.gz CZCACYIHYOONCJ-MELADBBJSA-N 2 1 282.432 1.285 10 30 CDEEMP [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000262845612 330035213 /nfs/dbraw/zinc/03/52/13/330035213.db2.gz RRHZMMBHHNJYNC-KGLIPLIRSA-N 2 1 280.416 1.087 10 30 CDEEMP C=CCC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000133037126 334013871 /nfs/dbraw/zinc/01/38/71/334013871.db2.gz MWWFJWYIKUUXHR-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001731558447 1159302741 /nfs/dbraw/zinc/30/27/41/1159302741.db2.gz KHSIZNXFDQCAKD-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482102234 1159981179 /nfs/dbraw/zinc/98/11/79/1159981179.db2.gz RJYPKORGJUWEEZ-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001715948959 1179936263 /nfs/dbraw/zinc/93/62/63/1179936263.db2.gz JQNMAWSBZUHCLN-CYBMUJFWSA-N 2 1 267.417 1.082 10 30 CDEEMP CCCC[N@@H+](CCO)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609650 520523316 /nfs/dbraw/zinc/52/33/16/520523316.db2.gz JRCUYUSBVDJCQB-UHFFFAOYSA-N 2 1 278.371 1.730 10 30 CDEEMP CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])s2)C1 ZINC000049232063 521622710 /nfs/dbraw/zinc/62/27/10/521622710.db2.gz LGMYORDXKHVZHD-GFCCVEGCSA-N 2 1 291.420 1.272 10 30 CDEEMP CC[N@H+]1CCC[C@H](NC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000049232056 521648756 /nfs/dbraw/zinc/64/87/56/521648756.db2.gz SGPGTGVPJRUXHK-INIZCTEOSA-N 2 1 285.391 1.211 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCCO1 ZINC000049609521 523357901 /nfs/dbraw/zinc/35/79/01/523357901.db2.gz YBAZDOAYQMAPMV-KRWDZBQOSA-N 2 1 272.392 1.998 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCCC[C@@H]1CO ZINC000049609781 523512795 /nfs/dbraw/zinc/51/27/95/523512795.db2.gz FRHQBFSYPQYDIF-MRXNPFEDSA-N 2 1 288.391 1.352 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCCC[C@H]1CCO ZINC000049608685 527147545 /nfs/dbraw/zinc/14/75/45/527147545.db2.gz NIDRCUMKVYHNGQ-KRWDZBQOSA-N 2 1 290.382 1.873 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001688967482 1175077518 /nfs/dbraw/zinc/07/75/18/1175077518.db2.gz WETSQHHTGBNBHU-XHSDSOJGSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001689956071 1175321050 /nfs/dbraw/zinc/32/10/50/1175321050.db2.gz DORASLWYXHIGQC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001689956071 1175321058 /nfs/dbraw/zinc/32/10/58/1175321058.db2.gz DORASLWYXHIGQC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001690231167 1175409302 /nfs/dbraw/zinc/40/93/02/1175409302.db2.gz HLZVQUDUMBHGBE-JYJNAYRXSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001690231167 1175409307 /nfs/dbraw/zinc/40/93/07/1175409307.db2.gz HLZVQUDUMBHGBE-JYJNAYRXSA-N 2 1 291.439 1.321 10 30 CDEEMP CC[NH+]=C(NCc1c(C)noc1C)NC[C@H]1CCC[N@H+]1C ZINC000157584662 618003705 /nfs/dbraw/zinc/00/37/05/618003705.db2.gz KXFBYOAFQDFICG-CYBMUJFWSA-N 2 1 293.415 1.441 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458933 625994575 /nfs/dbraw/zinc/99/45/75/625994575.db2.gz NHXQFLYJOZWRGL-HNNXBMFYSA-N 2 1 273.380 1.725 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000903458933 625994578 /nfs/dbraw/zinc/99/45/78/625994578.db2.gz NHXQFLYJOZWRGL-HNNXBMFYSA-N 2 1 273.380 1.725 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001691352435 1159032345 /nfs/dbraw/zinc/03/23/45/1159032345.db2.gz WKHJRPQHAXAXDW-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001691482087 1159377107 /nfs/dbraw/zinc/37/71/07/1159377107.db2.gz ZKRVOTSRVZAZCD-NMWPEEMBSA-N 2 1 279.428 1.530 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001670793911 1159858028 /nfs/dbraw/zinc/85/80/28/1159858028.db2.gz ZHXKJEGUBMRMGF-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268541698 1159966615 /nfs/dbraw/zinc/96/66/15/1159966615.db2.gz HQYMQGQDJBOGNI-HYLRALAJSA-N 2 1 265.401 1.165 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001483175927 1160780969 /nfs/dbraw/zinc/78/09/69/1160780969.db2.gz XSQMWHBZSKBWON-VXGBXAGGSA-N 2 1 264.373 1.259 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001273010578 1161476644 /nfs/dbraw/zinc/47/66/44/1161476644.db2.gz PIUXNIOAIINCOL-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001618273109 1165627439 /nfs/dbraw/zinc/62/74/39/1165627439.db2.gz HONOFPJJFILVQA-STQMWFEESA-N 2 1 253.390 1.045 10 30 CDEEMP C#CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001566827375 1168434743 /nfs/dbraw/zinc/43/47/43/1168434743.db2.gz QRCMSZZLTMMLFG-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001566827375 1168434745 /nfs/dbraw/zinc/43/47/45/1168434745.db2.gz QRCMSZZLTMMLFG-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001566827375 1168434750 /nfs/dbraw/zinc/43/47/50/1168434750.db2.gz QRCMSZZLTMMLFG-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001566939648 1168475536 /nfs/dbraw/zinc/47/55/36/1168475536.db2.gz IVBLZBCRQJKHTL-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001568185556 1169167153 /nfs/dbraw/zinc/16/71/53/1169167153.db2.gz UUQIKQXAANVWDR-HNNXBMFYSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC001568640830 1169411161 /nfs/dbraw/zinc/41/11/61/1169411161.db2.gz KBBYISUGDLMWJE-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001669838303 1173617504 /nfs/dbraw/zinc/61/75/04/1173617504.db2.gz KTWDHRIVSBBGCB-CYBMUJFWSA-N 2 1 298.390 1.716 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669887122 1173625169 /nfs/dbraw/zinc/62/51/69/1173625169.db2.gz AOXCJRUVRUCTNT-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669887122 1173625173 /nfs/dbraw/zinc/62/51/73/1173625173.db2.gz AOXCJRUVRUCTNT-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001673189532 1173834534 /nfs/dbraw/zinc/83/45/34/1173834534.db2.gz LJDXELAFQMASDO-UHFFFAOYSA-N 2 1 262.357 1.006 10 30 CDEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691917464 1175651547 /nfs/dbraw/zinc/65/15/47/1175651547.db2.gz HTJMNESWNSYNTD-OWCLPIDISA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001698862104 1175968697 /nfs/dbraw/zinc/96/86/97/1175968697.db2.gz UEEPZLQEAXHDJJ-HOCLYGCPSA-N 2 1 287.407 1.359 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001698914740 1175983622 /nfs/dbraw/zinc/98/36/22/1175983622.db2.gz QHWTTZCFTKXJBB-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001698920956 1175984931 /nfs/dbraw/zinc/98/49/31/1175984931.db2.gz QQJIWHBJPSJFHF-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001698969028 1176000242 /nfs/dbraw/zinc/00/02/42/1176000242.db2.gz VHFQPBNQNKBAGC-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@@H]21 ZINC001699018558 1176044250 /nfs/dbraw/zinc/04/42/50/1176044250.db2.gz KLBPKADUXULZKX-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC001699024066 1176047442 /nfs/dbraw/zinc/04/74/42/1176047442.db2.gz QERBMUQSMDGMDT-GOEBONIOSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001699188844 1176132848 /nfs/dbraw/zinc/13/28/48/1176132848.db2.gz RGKMLNUTBGLISK-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001699474287 1176433658 /nfs/dbraw/zinc/43/36/58/1176433658.db2.gz MHMCDFAPHVCXPN-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001699474287 1176433661 /nfs/dbraw/zinc/43/36/61/1176433661.db2.gz MHMCDFAPHVCXPN-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001699474287 1176433665 /nfs/dbraw/zinc/43/36/65/1176433665.db2.gz MHMCDFAPHVCXPN-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001699474287 1176433669 /nfs/dbraw/zinc/43/36/69/1176433669.db2.gz MHMCDFAPHVCXPN-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681812 1176567163 /nfs/dbraw/zinc/56/71/63/1176567163.db2.gz BBHLRWACNPOMPR-KGLIPLIRSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001699972688 1176703707 /nfs/dbraw/zinc/70/37/07/1176703707.db2.gz MRLGJWHBMKSXPP-LSDHHAIUSA-N 2 1 281.444 1.588 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700695373 1177080580 /nfs/dbraw/zinc/08/05/80/1177080580.db2.gz GGCBWCOGHVTXOT-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C(C)(C)C ZINC001700989422 1177228488 /nfs/dbraw/zinc/22/84/88/1177228488.db2.gz YUAHHNZVIVHKHJ-AWEZNQCLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001707401317 1178020215 /nfs/dbraw/zinc/02/02/15/1178020215.db2.gz UAICZCLIBJTAKB-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001707401317 1178020222 /nfs/dbraw/zinc/02/02/22/1178020222.db2.gz UAICZCLIBJTAKB-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001713037949 1178322710 /nfs/dbraw/zinc/32/27/10/1178322710.db2.gz QWQWDJXHBGUGEJ-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001713037949 1178322717 /nfs/dbraw/zinc/32/27/17/1178322717.db2.gz QWQWDJXHBGUGEJ-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001713037949 1178322725 /nfs/dbraw/zinc/32/27/25/1178322725.db2.gz QWQWDJXHBGUGEJ-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001713394471 1178534365 /nfs/dbraw/zinc/53/43/65/1178534365.db2.gz UHZYOYKRAALUIW-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001713394471 1178534374 /nfs/dbraw/zinc/53/43/74/1178534374.db2.gz UHZYOYKRAALUIW-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC1 ZINC001713409645 1178544628 /nfs/dbraw/zinc/54/46/28/1178544628.db2.gz DMONPAIOQQFINS-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC1 ZINC001713409645 1178544635 /nfs/dbraw/zinc/54/46/35/1178544635.db2.gz DMONPAIOQQFINS-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001713418821 1178550098 /nfs/dbraw/zinc/55/00/98/1178550098.db2.gz KKQXAMZJCYAFTI-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713517859 1178620788 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1.287 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714004858 1178923803 /nfs/dbraw/zinc/92/38/03/1178923803.db2.gz XGLABXCGLQNAEO-UONOGXRCSA-N 2 1 285.407 1.385 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001714110408 1178977197 /nfs/dbraw/zinc/97/71/97/1178977197.db2.gz CXCLBNCPNNGALN-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714121849 1178982829 /nfs/dbraw/zinc/98/28/29/1178982829.db2.gz CRPZRGDNAKDKDR-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001714170037 1179000644 /nfs/dbraw/zinc/00/06/44/1179000644.db2.gz XCDNSRCWTHJCTG-MRXNPFEDSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC)CC1 ZINC001714268358 1179056472 /nfs/dbraw/zinc/05/64/72/1179056472.db2.gz PMIHMYVZNLNGMS-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC)CC1 ZINC001714268358 1179056480 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C=CCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001715537036 1179707869 /nfs/dbraw/zinc/70/78/69/1179707869.db2.gz NQRSQNCMVOYSOU-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715537036 1179707873 /nfs/dbraw/zinc/70/78/73/1179707873.db2.gz NQRSQNCMVOYSOU-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715537036 1179707876 /nfs/dbraw/zinc/70/78/76/1179707876.db2.gz NQRSQNCMVOYSOU-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001716073658 1180031281 /nfs/dbraw/zinc/03/12/81/1180031281.db2.gz PBNXYJGAIOLFFR-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001716311068 1180150494 /nfs/dbraw/zinc/15/04/94/1180150494.db2.gz LCMPYZRLQZGFSO-DSYXLKISSA-N 2 1 285.819 1.485 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001716395647 1180184218 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C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717367339 1180631620 /nfs/dbraw/zinc/63/16/20/1180631620.db2.gz IJXKDWDAZKFAOE-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001717367339 1180631624 /nfs/dbraw/zinc/63/16/24/1180631624.db2.gz IJXKDWDAZKFAOE-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001717367339 1180631628 /nfs/dbraw/zinc/63/16/28/1180631628.db2.gz IJXKDWDAZKFAOE-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001717496597 1180709947 /nfs/dbraw/zinc/70/99/47/1180709947.db2.gz MOXQFBSIXFKINJ-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001717496597 1180709955 /nfs/dbraw/zinc/70/99/55/1180709955.db2.gz MOXQFBSIXFKINJ-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001717496597 1180709962 /nfs/dbraw/zinc/70/99/62/1180709962.db2.gz MOXQFBSIXFKINJ-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001717495800 1180710779 /nfs/dbraw/zinc/71/07/79/1180710779.db2.gz ZGCOMMFLASNWDI-CQSZACIVSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001717589105 1180750987 /nfs/dbraw/zinc/75/09/87/1180750987.db2.gz LZQJVDDNNBGTPV-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001717589105 1180750992 /nfs/dbraw/zinc/75/09/92/1180750992.db2.gz LZQJVDDNNBGTPV-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001717589105 1180750998 /nfs/dbraw/zinc/75/09/98/1180750998.db2.gz LZQJVDDNNBGTPV-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001724185498 1181650255 /nfs/dbraw/zinc/65/02/55/1181650255.db2.gz ZHRQPDGDEANXGP-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001724185498 1181650260 /nfs/dbraw/zinc/65/02/60/1181650260.db2.gz ZHRQPDGDEANXGP-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001724185498 1181650263 /nfs/dbraw/zinc/65/02/63/1181650263.db2.gz ZHRQPDGDEANXGP-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001725060252 1181832728 /nfs/dbraw/zinc/83/27/28/1181832728.db2.gz SPNDDGLZQJOAFX-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001725060252 1181832732 /nfs/dbraw/zinc/83/27/32/1181832732.db2.gz SPNDDGLZQJOAFX-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725234150 1181930847 /nfs/dbraw/zinc/93/08/47/1181930847.db2.gz LPRWEHDNHSONTH-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001725746146 1182120159 /nfs/dbraw/zinc/12/01/59/1182120159.db2.gz NDXPYNWSZZNRPM-HUUCEWRRSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001731374117 1182342982 /nfs/dbraw/zinc/34/29/82/1182342982.db2.gz FKZNEYKLPLRRAP-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001731542243 1182442081 /nfs/dbraw/zinc/44/20/81/1182442081.db2.gz MNPDIMCHGLHJCM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001731542243 1182442091 /nfs/dbraw/zinc/44/20/91/1182442091.db2.gz MNPDIMCHGLHJCM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001731542243 1182442098 /nfs/dbraw/zinc/44/20/98/1182442098.db2.gz MNPDIMCHGLHJCM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731987903 1182716175 /nfs/dbraw/zinc/71/61/75/1182716175.db2.gz OFRUJWNHAOBRRM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001732217107 1182863915 /nfs/dbraw/zinc/86/39/15/1182863915.db2.gz JYIGCMIEPZFOAC-HOCLYGCPSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001732533458 1182999269 /nfs/dbraw/zinc/99/92/69/1182999269.db2.gz SDKCESBQSSZXAY-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001732574329 1183018156 /nfs/dbraw/zinc/01/81/56/1183018156.db2.gz VYXBNFRNUURGHV-AWEZNQCLSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732810406 1183133210 /nfs/dbraw/zinc/13/32/10/1183133210.db2.gz BTPHAKJATQMLED-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733040890 1183259006 /nfs/dbraw/zinc/25/90/06/1183259006.db2.gz KOZGYFZNXUILLT-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001733049697 1183263035 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C=CC[N@@H+]1CC=C(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001279695540 942401763 /nfs/dbraw/zinc/40/17/63/942401763.db2.gz MVHMJXHQWJHXKG-UHFFFAOYSA-N 2 1 291.439 1.797 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001281957636 942636929 /nfs/dbraw/zinc/63/69/29/942636929.db2.gz SIDONFKBPZQHAT-OAHLLOKOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)CCC ZINC001283702922 942975236 /nfs/dbraw/zinc/97/52/36/942975236.db2.gz DFXSHMQYPQIOMN-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CCOCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001283939867 943032550 /nfs/dbraw/zinc/03/25/50/943032550.db2.gz NSIDSMSLUZXUMM-CABCVRRESA-N 2 1 297.443 1.108 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001263827905 943991976 /nfs/dbraw/zinc/99/19/76/943991976.db2.gz SPXZKGJAQLXSBT-MJBXVCDLSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001263930738 944034695 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CC#CC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001265193249 944266736 /nfs/dbraw/zinc/26/67/36/944266736.db2.gz BQCSRRIHIVWHMM-UHFFFAOYSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265594740 944440754 /nfs/dbraw/zinc/44/07/54/944440754.db2.gz JRIWYJVWUZGRCP-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265594740 944440760 /nfs/dbraw/zinc/44/07/60/944440760.db2.gz JRIWYJVWUZGRCP-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265594740 944440763 /nfs/dbraw/zinc/44/07/63/944440763.db2.gz JRIWYJVWUZGRCP-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001265617690 944449182 /nfs/dbraw/zinc/44/91/82/944449182.db2.gz NMIZXJGUDKWZOR-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001265783597 944508168 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CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001506037925 975096677 /nfs/dbraw/zinc/09/66/77/975096677.db2.gz CQRSATOMLGPAEA-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001506560310 975179313 /nfs/dbraw/zinc/17/93/13/975179313.db2.gz QNTZJRSLIRJIPD-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001507148227 975354782 /nfs/dbraw/zinc/35/47/82/975354782.db2.gz LPDBAPZIOWDEEJ-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001507446292 975474675 /nfs/dbraw/zinc/47/46/75/975474675.db2.gz SGWJYOBIDWZDQH-CQSZACIVSA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001399226017 976388672 /nfs/dbraw/zinc/38/86/72/976388672.db2.gz HZRJRFXOGUVZQN-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)CN1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001399929248 976754694 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CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001570753349 1170272146 /nfs/dbraw/zinc/27/21/46/1170272146.db2.gz HQUZMKFUJWMFPG-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570815675 1170286606 /nfs/dbraw/zinc/28/66/06/1170286606.db2.gz IBHFUDVEKXLUEE-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001571523142 1170461767 /nfs/dbraw/zinc/46/17/67/1170461767.db2.gz ORTVQSWHYQTGNG-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001571523142 1170461768 /nfs/dbraw/zinc/46/17/68/1170461768.db2.gz ORTVQSWHYQTGNG-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001571523142 1170461773 /nfs/dbraw/zinc/46/17/73/1170461773.db2.gz ORTVQSWHYQTGNG-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001571612214 1170494944 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Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600717429 342244339 /nfs/dbraw/zinc/24/43/39/342244339.db2.gz AEGFSWPINCURCP-ZDUSSCGKSA-N 2 1 262.357 1.226 10 30 CDEEMP Cc1ccc(NCCC[NH2+]C[C@@H](O)CC2(C#N)CC2)[nH+]c1 ZINC000600731389 342245821 /nfs/dbraw/zinc/24/58/21/342245821.db2.gz WNGLKSLRHFBMHN-AWEZNQCLSA-N 2 1 288.395 1.258 10 30 CDEEMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594933979 342976061 /nfs/dbraw/zinc/97/60/61/342976061.db2.gz BSAWRECFVIRKNV-INIZCTEOSA-N 2 1 287.407 1.644 10 30 CDEEMP C=C(C)[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705197 364457260 /nfs/dbraw/zinc/45/72/60/364457260.db2.gz UJONUDPWELZCPE-OAHLLOKOSA-N 2 1 261.369 1.531 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001664370077 1172846078 /nfs/dbraw/zinc/84/60/78/1172846078.db2.gz WNVAWGXANNXZSI-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664849631 1172919831 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C#CCC[N@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001673439597 1173856225 /nfs/dbraw/zinc/85/62/25/1173856225.db2.gz YYLDOBRXXJKGQN-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000489442159 332052767 /nfs/dbraw/zinc/05/27/67/332052767.db2.gz SEULVTAJAQNCOL-HNNXBMFYSA-N 2 1 291.439 1.770 10 30 CDEEMP C=C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000489442159 332052769 /nfs/dbraw/zinc/05/27/69/332052769.db2.gz SEULVTAJAQNCOL-HNNXBMFYSA-N 2 1 291.439 1.770 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001493298819 1159191643 /nfs/dbraw/zinc/19/16/43/1159191643.db2.gz CZYIUMMHBRIXDY-UHFFFAOYSA-N 2 1 291.439 1.324 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001731615908 1159315618 /nfs/dbraw/zinc/31/56/18/1159315618.db2.gz DDUVBRKCTYYDTK-XJKSGUPXSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CCCCCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001268445514 1159936833 /nfs/dbraw/zinc/93/68/33/1159936833.db2.gz MCYKHHVPKIZXBN-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725145163 1181882189 /nfs/dbraw/zinc/88/21/89/1181882189.db2.gz AFIWDGBILBEIAS-AWEZNQCLSA-N 2 1 281.444 1.588 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609575 522219854 /nfs/dbraw/zinc/21/98/54/522219854.db2.gz HTLXIWXIRRPGHQ-CYBMUJFWSA-N 2 1 276.380 1.472 10 30 CDEEMP COC[C@H](C)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049609578 522592837 /nfs/dbraw/zinc/59/28/37/522592837.db2.gz AOLUQJQLTCEGNY-AWEZNQCLSA-N 2 1 276.380 1.342 10 30 CDEEMP COc1ccc(CN2CCC[N@@H+](C)CC2)cc1C#CC[NH3+] ZINC000049608759 524026637 /nfs/dbraw/zinc/02/66/37/524026637.db2.gz LQDJURFFBOJOBU-UHFFFAOYSA-N 2 1 287.407 1.143 10 30 CDEEMP C[C@@H]1C[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)C[C@H](C)O1 ZINC000049608427 524959281 /nfs/dbraw/zinc/95/92/81/524959281.db2.gz PBHLEBVKZQNMQK-GASCZTMLSA-N 2 1 288.391 1.485 10 30 CDEEMP C[C@@H]1C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)C[C@H](C)O1 ZINC000049608427 524959291 /nfs/dbraw/zinc/95/92/91/524959291.db2.gz PBHLEBVKZQNMQK-GASCZTMLSA-N 2 1 288.391 1.485 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[NH+]1CCSCC1 ZINC000049608773 527148409 /nfs/dbraw/zinc/14/84/09/527148409.db2.gz ZHMAPICXZNDDFD-UHFFFAOYSA-N 2 1 264.369 1.685 10 30 CDEEMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001689246773 1175128601 /nfs/dbraw/zinc/12/86/01/1175128601.db2.gz YAMHXVXTVUGQHK-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CC[NH+](C)CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001689246773 1175128604 /nfs/dbraw/zinc/12/86/04/1175128604.db2.gz YAMHXVXTVUGQHK-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218426 613018536 /nfs/dbraw/zinc/01/85/36/613018536.db2.gz XMMOHERNOUZBQS-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218426 613018537 /nfs/dbraw/zinc/01/85/37/613018537.db2.gz XMMOHERNOUZBQS-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218426 613018538 /nfs/dbraw/zinc/01/85/38/613018538.db2.gz XMMOHERNOUZBQS-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032272 613259107 /nfs/dbraw/zinc/25/91/07/613259107.db2.gz GWWNSBTYONPDSZ-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032272 613259110 /nfs/dbraw/zinc/25/91/10/613259110.db2.gz GWWNSBTYONPDSZ-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032272 613259113 /nfs/dbraw/zinc/25/91/13/613259113.db2.gz GWWNSBTYONPDSZ-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941221034 613783302 /nfs/dbraw/zinc/78/33/02/613783302.db2.gz KOXIELBTAJHUMN-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941221034 613783303 /nfs/dbraw/zinc/78/33/03/613783303.db2.gz KOXIELBTAJHUMN-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(C#N)ccn1 ZINC000902797040 625417764 /nfs/dbraw/zinc/41/77/64/625417764.db2.gz YRHQYGCCYMMBOZ-UONOGXRCSA-N 2 1 287.411 1.240 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000903473825 626004646 /nfs/dbraw/zinc/00/46/46/626004646.db2.gz AIXQEGMPFDPUPF-UHFFFAOYSA-N 2 1 261.369 1.582 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905276066 626731884 /nfs/dbraw/zinc/73/18/84/626731884.db2.gz VGSVBNMSJZPDDV-IRXDYDNUSA-N 2 1 290.407 1.016 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905276066 626731888 /nfs/dbraw/zinc/73/18/88/626731888.db2.gz VGSVBNMSJZPDDV-IRXDYDNUSA-N 2 1 290.407 1.016 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001691196577 1158954115 /nfs/dbraw/zinc/95/41/15/1158954115.db2.gz ULJDBTIOVWSGAS-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691196577 1158954118 /nfs/dbraw/zinc/95/41/18/1158954118.db2.gz ULJDBTIOVWSGAS-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691196577 1158954121 /nfs/dbraw/zinc/95/41/21/1158954121.db2.gz ULJDBTIOVWSGAS-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001483592224 1160953807 /nfs/dbraw/zinc/95/38/07/1160953807.db2.gz LDSQDXJKKMNRDU-CVEARBPZSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866365786 1164773237 /nfs/dbraw/zinc/77/32/37/1164773237.db2.gz XRFIEEBXZNHTCF-UHFFFAOYSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866365786 1164773243 /nfs/dbraw/zinc/77/32/43/1164773243.db2.gz XRFIEEBXZNHTCF-UHFFFAOYSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876723268 1165901649 /nfs/dbraw/zinc/90/16/49/1165901649.db2.gz QZKQIBWXAWCNCE-UHTWSYAYSA-N 2 1 287.835 1.693 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001566913852 1168465048 /nfs/dbraw/zinc/46/50/48/1168465048.db2.gz VQQNRBSGRVWPIP-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567712735 1168929830 /nfs/dbraw/zinc/92/98/30/1168929830.db2.gz YBMOJYOYTIMSRE-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001568180752 1169164968 /nfs/dbraw/zinc/16/49/68/1169164968.db2.gz XAAAOZKVLOXFPM-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCC1 ZINC001570109838 1170083098 /nfs/dbraw/zinc/08/30/98/1170083098.db2.gz VIWLVBSQPQNMPW-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001571536273 1170469493 /nfs/dbraw/zinc/46/94/93/1170469493.db2.gz MUQOZNCFQPEDRI-KGLIPLIRSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001663683810 1172746525 /nfs/dbraw/zinc/74/65/25/1172746525.db2.gz HDHRJPURKDHULK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001663683810 1172746529 /nfs/dbraw/zinc/74/65/29/1172746529.db2.gz HDHRJPURKDHULK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001663683810 1172746534 /nfs/dbraw/zinc/74/65/34/1172746534.db2.gz HDHRJPURKDHULK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001664185820 1172821146 /nfs/dbraw/zinc/82/11/46/1172821146.db2.gz DEKBOWHXXKXXMO-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001676051863 1174177106 /nfs/dbraw/zinc/17/71/06/1174177106.db2.gz AURKUIJQYBXTPF-HNNXBMFYSA-N 2 1 299.434 1.775 10 30 CDEEMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001681663866 1174590090 /nfs/dbraw/zinc/59/00/90/1174590090.db2.gz WDNWMPJLTARREZ-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001681663866 1174590095 /nfs/dbraw/zinc/59/00/95/1174590095.db2.gz WDNWMPJLTARREZ-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001690012527 1175345418 /nfs/dbraw/zinc/34/54/18/1175345418.db2.gz ICWNWWZWHGALBV-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001690012527 1175345422 /nfs/dbraw/zinc/34/54/22/1175345422.db2.gz ICWNWWZWHGALBV-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001690012527 1175345428 /nfs/dbraw/zinc/34/54/28/1175345428.db2.gz ICWNWWZWHGALBV-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001690459881 1175475693 /nfs/dbraw/zinc/47/56/93/1175475693.db2.gz UPGWORHPBSAZBU-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001690459881 1175475695 /nfs/dbraw/zinc/47/56/95/1175475695.db2.gz UPGWORHPBSAZBU-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001690459881 1175475699 /nfs/dbraw/zinc/47/56/99/1175475699.db2.gz UPGWORHPBSAZBU-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001691897509 1175646276 /nfs/dbraw/zinc/64/62/76/1175646276.db2.gz UXYQRENJUCGIST-LSDHHAIUSA-N 2 1 288.395 1.089 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001691994221 1175664132 /nfs/dbraw/zinc/66/41/32/1175664132.db2.gz AOMJFGZBAFHJAJ-HNNXBMFYSA-N 2 1 290.411 1.548 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001691994221 1175664136 /nfs/dbraw/zinc/66/41/36/1175664136.db2.gz AOMJFGZBAFHJAJ-HNNXBMFYSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001692246024 1175713988 /nfs/dbraw/zinc/71/39/88/1175713988.db2.gz QQLDEUVXWGTXQN-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001692377504 1175755203 /nfs/dbraw/zinc/75/52/03/1175755203.db2.gz UQAQVQOTITYBCQ-CABCVRRESA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001692377504 1175755209 /nfs/dbraw/zinc/75/52/09/1175755209.db2.gz UQAQVQOTITYBCQ-CABCVRRESA-N 2 1 290.411 1.737 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001698861184 1175967722 /nfs/dbraw/zinc/96/77/22/1175967722.db2.gz NAJBJAFGWLGAHY-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001699738357 1176597308 /nfs/dbraw/zinc/59/73/08/1176597308.db2.gz KYSAMSFVNGONTP-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700644220 1177053864 /nfs/dbraw/zinc/05/38/64/1177053864.db2.gz MFJKASBSQULRBS-HDJSIYSDSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001700753436 1177114592 /nfs/dbraw/zinc/11/45/92/1177114592.db2.gz XQRHCOWGOKBTKK-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(C)C ZINC001700754749 1177115404 /nfs/dbraw/zinc/11/54/04/1177115404.db2.gz ZGOROHXNEFPDSU-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(C)C ZINC001700754749 1177115407 /nfs/dbraw/zinc/11/54/07/1177115407.db2.gz ZGOROHXNEFPDSU-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713083095 1178354683 /nfs/dbraw/zinc/35/46/83/1178354683.db2.gz QOOPMIUAFXBACQ-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713083095 1178354688 /nfs/dbraw/zinc/35/46/88/1178354688.db2.gz QOOPMIUAFXBACQ-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713083095 1178354696 /nfs/dbraw/zinc/35/46/96/1178354696.db2.gz QOOPMIUAFXBACQ-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001713245873 1178452066 /nfs/dbraw/zinc/45/20/66/1178452066.db2.gz JNGPQMGRUYZLKB-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713682491 1178707005 /nfs/dbraw/zinc/70/70/05/1178707005.db2.gz BZCMAWZPZGUDLZ-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714005065 1178924201 /nfs/dbraw/zinc/92/42/01/1178924201.db2.gz ZHTZNNOBNRVSRP-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001714005065 1178924209 /nfs/dbraw/zinc/92/42/09/1178924209.db2.gz ZHTZNNOBNRVSRP-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714005065 1178924218 /nfs/dbraw/zinc/92/42/18/1178924218.db2.gz ZHTZNNOBNRVSRP-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714075714 1178961135 /nfs/dbraw/zinc/96/11/35/1178961135.db2.gz ZHBWULRQJPGJJR-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714238287 1179040152 /nfs/dbraw/zinc/04/01/52/1179040152.db2.gz DGIQBBXEQICBCC-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001714905604 1179447675 /nfs/dbraw/zinc/44/76/75/1179447675.db2.gz PGBUKMXIPGQIHM-OAHLLOKOSA-N 2 1 291.439 1.439 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001715024587 1179516818 /nfs/dbraw/zinc/51/68/18/1179516818.db2.gz PUVZYSHDSCFJIU-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001715188364 1179573614 /nfs/dbraw/zinc/57/36/14/1179573614.db2.gz ABLSMWNPZWVWPD-SHTZXODSSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001716007896 1179979633 /nfs/dbraw/zinc/97/96/33/1179979633.db2.gz CCQGKQBYTOCEOD-NSHDSACASA-N 2 1 261.797 1.173 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716784047 1180413927 /nfs/dbraw/zinc/41/39/27/1180413927.db2.gz HIFJDFCTHVDHDX-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001716901665 1180458981 /nfs/dbraw/zinc/45/89/81/1180458981.db2.gz NDZMOYBCZVLKFZ-HOCLYGCPSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001716901665 1180458985 /nfs/dbraw/zinc/45/89/85/1180458985.db2.gz NDZMOYBCZVLKFZ-HOCLYGCPSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001716901665 1180458988 /nfs/dbraw/zinc/45/89/88/1180458988.db2.gz NDZMOYBCZVLKFZ-HOCLYGCPSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CCC1 ZINC001717152266 1180550161 /nfs/dbraw/zinc/55/01/61/1180550161.db2.gz VKFALYHZCKBYPW-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001717292345 1180607220 /nfs/dbraw/zinc/60/72/20/1180607220.db2.gz TVYVWRACHHAZHD-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001717477644 1180696111 /nfs/dbraw/zinc/69/61/11/1180696111.db2.gz BLVDNFBNQHQYDW-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001717477644 1180696113 /nfs/dbraw/zinc/69/61/13/1180696113.db2.gz BLVDNFBNQHQYDW-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001717477644 1180696117 /nfs/dbraw/zinc/69/61/17/1180696117.db2.gz BLVDNFBNQHQYDW-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001717646317 1180772069 /nfs/dbraw/zinc/77/20/69/1180772069.db2.gz HETSUBYVCVJVAZ-VGWMRTNUSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001723528983 1181583648 /nfs/dbraw/zinc/58/36/48/1181583648.db2.gz IXEDHELLLFGJJY-ZIAGYGMSSA-N 2 1 277.412 1.428 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001724696584 1181726353 /nfs/dbraw/zinc/72/63/53/1181726353.db2.gz HIXZOHOUQDDERP-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001724709630 1181731506 /nfs/dbraw/zinc/73/15/06/1181731506.db2.gz VKXHOEWBSSIPQB-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001724896062 1181788738 /nfs/dbraw/zinc/78/87/38/1181788738.db2.gz DRCWAEDXINSHOU-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001724896062 1181788741 /nfs/dbraw/zinc/78/87/41/1181788741.db2.gz DRCWAEDXINSHOU-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001724896062 1181788747 /nfs/dbraw/zinc/78/87/47/1181788747.db2.gz DRCWAEDXINSHOU-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001725071887 1181845544 /nfs/dbraw/zinc/84/55/44/1181845544.db2.gz PPDGAABTVZUFAF-QQFBHYJXSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001725118234 1181871103 /nfs/dbraw/zinc/87/11/03/1181871103.db2.gz OMOUCKSISJEBPY-STQMWFEESA-N 2 1 299.378 1.550 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001725118231 1181871211 /nfs/dbraw/zinc/87/12/11/1181871211.db2.gz OMOUCKSISJEBPY-QWHCGFSZSA-N 2 1 299.378 1.550 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001725458426 1182007702 /nfs/dbraw/zinc/00/77/02/1182007702.db2.gz YAAUJJOBIIFXBT-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001731616619 1182481118 /nfs/dbraw/zinc/48/11/18/1182481118.db2.gz GVGLRIOQTGGJJF-CYBMUJFWSA-N 2 1 267.417 1.082 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731663204 1182507987 /nfs/dbraw/zinc/50/79/87/1182507987.db2.gz LCWIZIUXICDMTK-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731665530 1182509378 /nfs/dbraw/zinc/50/93/78/1182509378.db2.gz ZQVRSQSCDHGHQG-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001731684200 1182516884 /nfs/dbraw/zinc/51/68/84/1182516884.db2.gz GXFFCULIEYYXIF-KRWDZBQOSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001731684200 1182516889 /nfs/dbraw/zinc/51/68/89/1182516889.db2.gz GXFFCULIEYYXIF-KRWDZBQOSA-N 2 1 299.418 1.190 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731853152 1182629233 /nfs/dbraw/zinc/62/92/33/1182629233.db2.gz SWUMVGZNFFZFID-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001732176577 1182833199 /nfs/dbraw/zinc/83/31/99/1182833199.db2.gz VHNSUSXDBMASDG-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001732398278 1182944892 /nfs/dbraw/zinc/94/48/92/1182944892.db2.gz NIXGVJBOBNFUCQ-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001732584582 1183028839 /nfs/dbraw/zinc/02/88/39/1183028839.db2.gz MOPVXRIWCDIOPZ-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001732594656 1183035868 /nfs/dbraw/zinc/03/58/68/1183035868.db2.gz LHFJTGLSUCUQQC-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001733037031 1183254300 /nfs/dbraw/zinc/25/43/00/1183254300.db2.gz CGBNXZKIPBTATG-QLFBSQMISA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001733037031 1183254303 /nfs/dbraw/zinc/25/43/03/1183254303.db2.gz CGBNXZKIPBTATG-QLFBSQMISA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001733037031 1183254307 /nfs/dbraw/zinc/25/43/07/1183254307.db2.gz CGBNXZKIPBTATG-QLFBSQMISA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001733938585 1183575884 /nfs/dbraw/zinc/57/58/84/1183575884.db2.gz IVDXJMGNKHSYLA-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001733938585 1183575886 /nfs/dbraw/zinc/57/58/86/1183575886.db2.gz IVDXJMGNKHSYLA-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733938585 1183575887 /nfs/dbraw/zinc/57/58/87/1183575887.db2.gz IVDXJMGNKHSYLA-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001734094332 1183654895 /nfs/dbraw/zinc/65/48/95/1183654895.db2.gz SJVTUXNPVCIOBU-JKSUJKDBSA-N 2 1 293.455 1.759 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001734301945 1183720349 /nfs/dbraw/zinc/72/03/49/1183720349.db2.gz MGJXXISZMLISDI-CQSZACIVSA-N 2 1 276.384 1.204 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001734328574 1183734831 /nfs/dbraw/zinc/73/48/31/1183734831.db2.gz YEGYULVUNGECHV-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001734359309 1183747351 /nfs/dbraw/zinc/74/73/51/1183747351.db2.gz ZKIPETNMGVNKTQ-ZBFHGGJFSA-N 2 1 289.423 1.912 10 30 CDEEMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240729 1165400970 /nfs/dbraw/zinc/40/09/70/1165400970.db2.gz ZMEAUECJRIQOHN-NVXWUHKLSA-N 2 1 285.391 1.070 10 30 CDEEMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240729 1165400974 /nfs/dbraw/zinc/40/09/74/1165400974.db2.gz ZMEAUECJRIQOHN-NVXWUHKLSA-N 2 1 285.391 1.070 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567689254 1168066748 /nfs/dbraw/zinc/06/67/48/1168066748.db2.gz SECRMCZGDAMZFE-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567689254 1168066753 /nfs/dbraw/zinc/06/67/53/1168066753.db2.gz SECRMCZGDAMZFE-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001566005234 1168212107 /nfs/dbraw/zinc/21/21/07/1168212107.db2.gz PIHWBVYGRBTTSL-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001566877464 1168452691 /nfs/dbraw/zinc/45/26/91/1168452691.db2.gz YKQCNKKCRISUMN-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001567027895 1168518283 /nfs/dbraw/zinc/51/82/83/1168518283.db2.gz CFODWRHUIVRIRW-ZDUSSCGKSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001567307890 1168670094 /nfs/dbraw/zinc/67/00/94/1168670094.db2.gz MGLCJRXMBKSZDT-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001567307890 1168670098 /nfs/dbraw/zinc/67/00/98/1168670098.db2.gz MGLCJRXMBKSZDT-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001567307890 1168670100 /nfs/dbraw/zinc/67/01/00/1168670100.db2.gz MGLCJRXMBKSZDT-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567432496 1168755863 /nfs/dbraw/zinc/75/58/63/1168755863.db2.gz GFKJFQSONKJMPA-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC001567448403 1168770798 /nfs/dbraw/zinc/77/07/98/1168770798.db2.gz NSCWQVRAOXFTSH-UHFFFAOYSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267048529 896631913 /nfs/dbraw/zinc/63/19/13/896631913.db2.gz XUUTZFLTYBEMMR-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267198914 897125667 /nfs/dbraw/zinc/12/56/67/897125667.db2.gz CZQPNGNSGPNQJF-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001267302269 897525083 /nfs/dbraw/zinc/52/50/83/897525083.db2.gz ODIRYJYTAQEYJP-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267589937 898601796 /nfs/dbraw/zinc/60/17/96/898601796.db2.gz ROEGKHPWPZALSH-HZPDHXFCSA-N 2 1 293.455 1.376 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001481045171 898677178 /nfs/dbraw/zinc/67/71/78/898677178.db2.gz HWOGVJHGWMLTTB-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001481183069 899076746 /nfs/dbraw/zinc/07/67/46/899076746.db2.gz JDDJKBQXSJYNJS-UHFFFAOYSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267749496 899569289 /nfs/dbraw/zinc/56/92/89/899569289.db2.gz QWCNJHHESIAQML-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001267749496 899569297 /nfs/dbraw/zinc/56/92/97/899569297.db2.gz QWCNJHHESIAQML-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567687994 1168916543 /nfs/dbraw/zinc/91/65/43/1168916543.db2.gz CMRFONXNMZKDEO-OAHLLOKOSA-N 2 1 291.439 1.581 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864387 899899646 /nfs/dbraw/zinc/89/96/46/899899646.db2.gz CLNSBIODIHMEHF-CJNGLKHVSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481373113 900504106 /nfs/dbraw/zinc/50/41/06/900504106.db2.gz UZWXGDXVUBLFCG-RDJZCZTQSA-N 2 1 299.418 1.409 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481452206 900713455 /nfs/dbraw/zinc/71/34/55/900713455.db2.gz KOGHPAVOTDUBGY-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001481529719 901083360 /nfs/dbraw/zinc/08/33/60/901083360.db2.gz XMAFFGLTQCRXHG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 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263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060195 933306840 /nfs/dbraw/zinc/30/68/40/933306840.db2.gz GUBIHJHBZYCBTG-YUELXQCFSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060195 933306850 /nfs/dbraw/zinc/30/68/50/933306850.db2.gz GUBIHJHBZYCBTG-YUELXQCFSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930060195 933306863 /nfs/dbraw/zinc/30/68/63/933306863.db2.gz GUBIHJHBZYCBTG-YUELXQCFSA-N 2 1 263.385 1.210 10 30 CDEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001276468628 939767824 /nfs/dbraw/zinc/76/78/24/939767824.db2.gz LNRPOOGQVMVWIU-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001276610743 940430120 /nfs/dbraw/zinc/43/01/20/940430120.db2.gz DEPAEFCHBNUPTC-GJZGRUSLSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001276686875 940698318 /nfs/dbraw/zinc/69/83/18/940698318.db2.gz NWDHRLHEDGQYNG-DZGCQCFKSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001277093808 941943483 /nfs/dbraw/zinc/94/34/83/941943483.db2.gz AKMRGOCJZIZZMC-GJZGRUSLSA-N 2 1 289.423 1.265 10 30 CDEEMP C=CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2C)C[C@@H]1C ZINC001281456095 942577968 /nfs/dbraw/zinc/57/79/68/942577968.db2.gz IUQGDMFJKWKWOU-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001281475112 942581981 /nfs/dbraw/zinc/58/19/81/942581981.db2.gz GLEOWRVFNRZBET-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001281939421 942634003 /nfs/dbraw/zinc/63/40/03/942634003.db2.gz FZAHHTPESDIHCD-LSDHHAIUSA-N 2 1 299.434 1.775 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282464788 942717270 /nfs/dbraw/zinc/71/72/70/942717270.db2.gz NISXQTRHVWXDGH-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001265005568 944197737 /nfs/dbraw/zinc/19/77/37/944197737.db2.gz BDGWQWVXNHKVIS-UHFFFAOYSA-N 2 1 298.390 1.718 10 30 CDEEMP C#CCN1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265290939 944323093 /nfs/dbraw/zinc/32/30/93/944323093.db2.gz XGVVCWXGBBLWNB-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265290939 944323100 /nfs/dbraw/zinc/32/31/00/944323100.db2.gz XGVVCWXGBBLWNB-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265290939 944323103 /nfs/dbraw/zinc/32/31/03/944323103.db2.gz XGVVCWXGBBLWNB-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265290939 944323106 /nfs/dbraw/zinc/32/31/06/944323106.db2.gz XGVVCWXGBBLWNB-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265290939 944323109 /nfs/dbraw/zinc/32/31/09/944323109.db2.gz XGVVCWXGBBLWNB-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001265735230 944484668 /nfs/dbraw/zinc/48/46/68/944484668.db2.gz PRVDOSBCVZUOQS-PRLABOORSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001265822985 944526568 /nfs/dbraw/zinc/52/65/68/944526568.db2.gz BNMZDDSMARVGIA-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001479271916 971283022 /nfs/dbraw/zinc/28/30/22/971283022.db2.gz QTUHRKZHZSYSRR-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001479815706 971433886 /nfs/dbraw/zinc/43/38/86/971433886.db2.gz LMSPPAMIEFZPIW-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001479815706 971433890 /nfs/dbraw/zinc/43/38/90/971433890.db2.gz LMSPPAMIEFZPIW-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001278926209 948265052 /nfs/dbraw/zinc/26/50/52/948265052.db2.gz DCMXDGIBEYIPJG-UHFFFAOYSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480600235 971801591 /nfs/dbraw/zinc/80/15/91/971801591.db2.gz UWFNNRJCSOVCTM-ZFWWWQNUSA-N 2 1 275.396 1.570 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)N(C)C ZINC001493061161 971935758 /nfs/dbraw/zinc/93/57/58/971935758.db2.gz BAKJQOIICBUXEZ-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001493061161 971935765 /nfs/dbraw/zinc/93/57/65/971935765.db2.gz BAKJQOIICBUXEZ-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001493061161 971935771 /nfs/dbraw/zinc/93/57/71/971935771.db2.gz BAKJQOIICBUXEZ-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001493150518 971961110 /nfs/dbraw/zinc/96/11/10/971961110.db2.gz DNSDYXLVNHBVHO-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001493150518 971961115 /nfs/dbraw/zinc/96/11/15/971961115.db2.gz DNSDYXLVNHBVHO-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001493150518 971961117 /nfs/dbraw/zinc/96/11/17/971961117.db2.gz DNSDYXLVNHBVHO-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001493146757 971960502 /nfs/dbraw/zinc/96/05/02/971960502.db2.gz IIASLLFPPVWIHM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001493146757 971960507 /nfs/dbraw/zinc/96/05/07/971960507.db2.gz IIASLLFPPVWIHM-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001326420068 954372228 /nfs/dbraw/zinc/37/22/28/954372228.db2.gz YAMAHOUGILOKTC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001493397101 972041578 /nfs/dbraw/zinc/04/15/78/972041578.db2.gz FZJMFVYRIQMZED-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001493397101 972041583 /nfs/dbraw/zinc/04/15/83/972041583.db2.gz FZJMFVYRIQMZED-UHFFFAOYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001493434539 972048659 /nfs/dbraw/zinc/04/86/59/972048659.db2.gz ABRJXOJJWBAULW-UHFFFAOYSA-N 2 1 291.439 1.629 10 30 CDEEMP CC#CC[N@@H+](CCNC(=O)CC[NH+]1CCCCC1)C1CC1 ZINC001493451435 972056482 /nfs/dbraw/zinc/05/64/82/972056482.db2.gz ZMSHFPSNQDROFC-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001328258299 955244596 /nfs/dbraw/zinc/24/45/96/955244596.db2.gz OKYAJYGRGPGVDD-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001328258299 955244604 /nfs/dbraw/zinc/24/46/04/955244604.db2.gz OKYAJYGRGPGVDD-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001328258299 955244612 /nfs/dbraw/zinc/24/46/12/955244612.db2.gz OKYAJYGRGPGVDD-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001492177111 955669686 /nfs/dbraw/zinc/66/96/86/955669686.db2.gz CPUVOIQNRIMLBI-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001492177111 955669697 /nfs/dbraw/zinc/66/96/97/955669697.db2.gz CPUVOIQNRIMLBI-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001329622695 956026481 /nfs/dbraw/zinc/02/64/81/956026481.db2.gz FJTAGYGTAXOIPZ-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001329622695 956026495 /nfs/dbraw/zinc/02/64/95/956026495.db2.gz FJTAGYGTAXOIPZ-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001329622695 956026510 /nfs/dbraw/zinc/02/65/10/956026510.db2.gz FJTAGYGTAXOIPZ-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360687 956395830 /nfs/dbraw/zinc/39/58/30/956395830.db2.gz RVBAXJDCLFRMSK-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360687 956395841 /nfs/dbraw/zinc/39/58/41/956395841.db2.gz RVBAXJDCLFRMSK-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360687 956395856 /nfs/dbraw/zinc/39/58/56/956395856.db2.gz RVBAXJDCLFRMSK-YHUYYLMFSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001480680874 956507046 /nfs/dbraw/zinc/50/70/46/956507046.db2.gz YTRSULRFEQSKIW-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316948577 957144998 /nfs/dbraw/zinc/14/49/98/957144998.db2.gz HBLIQRILZDPETL-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317027288 957211739 /nfs/dbraw/zinc/21/17/39/957211739.db2.gz PSXAIUBBPROJTB-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001317078331 957253431 /nfs/dbraw/zinc/25/34/31/957253431.db2.gz PBQNORLSCLSBIJ-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317172295 957325028 /nfs/dbraw/zinc/32/50/28/957325028.db2.gz HRNTWDOGHZUMNL-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317331420 957424926 /nfs/dbraw/zinc/42/49/26/957424926.db2.gz TYBAFXNBHRGRID-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001332121163 957440364 /nfs/dbraw/zinc/44/03/64/957440364.db2.gz XRVFORAQAGOVOG-GDBMZVCRSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001332121163 957440368 /nfs/dbraw/zinc/44/03/68/957440368.db2.gz XRVFORAQAGOVOG-GDBMZVCRSA-N 2 1 277.412 1.073 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001332205578 957476351 /nfs/dbraw/zinc/47/63/51/957476351.db2.gz KVCGXHYVWRAASI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332205578 957476357 /nfs/dbraw/zinc/47/63/57/957476357.db2.gz KVCGXHYVWRAASI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332205578 957476363 /nfs/dbraw/zinc/47/63/63/957476363.db2.gz KVCGXHYVWRAASI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317450000 957483603 /nfs/dbraw/zinc/48/36/03/957483603.db2.gz NWOHRKCOQMNDGV-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317450000 957483606 /nfs/dbraw/zinc/48/36/06/957483606.db2.gz NWOHRKCOQMNDGV-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317450000 957483610 /nfs/dbraw/zinc/48/36/10/957483610.db2.gz NWOHRKCOQMNDGV-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001317450000 957483615 /nfs/dbraw/zinc/48/36/15/957483615.db2.gz NWOHRKCOQMNDGV-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317539977 957537297 /nfs/dbraw/zinc/53/72/97/957537297.db2.gz DPWVUSFKNDGKNZ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001317539977 957537302 /nfs/dbraw/zinc/53/73/02/957537302.db2.gz DPWVUSFKNDGKNZ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317539977 957537303 /nfs/dbraw/zinc/53/73/03/957537303.db2.gz DPWVUSFKNDGKNZ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317763367 957658693 /nfs/dbraw/zinc/65/86/93/957658693.db2.gz NOTUYMPKPNRRIB-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317763367 957658695 /nfs/dbraw/zinc/65/86/95/957658695.db2.gz NOTUYMPKPNRRIB-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317763367 957658696 /nfs/dbraw/zinc/65/86/96/957658696.db2.gz NOTUYMPKPNRRIB-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cc2[nH]cnc2C)C1 ZINC001317808943 957672092 /nfs/dbraw/zinc/67/20/92/957672092.db2.gz JMUMNNMKSCIJAH-AWEZNQCLSA-N 2 1 288.395 1.112 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)Cc2ncc[nH]2)C1 ZINC001317805116 957672687 /nfs/dbraw/zinc/67/26/87/957672687.db2.gz IUVALSXKJZAXKB-ZDUSSCGKSA-N 2 1 276.384 1.357 10 30 CDEEMP C=CCCCCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318061504 957896032 /nfs/dbraw/zinc/89/60/32/957896032.db2.gz WECUVBCKSVGIJP-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCCCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318061504 957896044 /nfs/dbraw/zinc/89/60/44/957896044.db2.gz WECUVBCKSVGIJP-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001318482807 958125794 /nfs/dbraw/zinc/12/57/94/958125794.db2.gz LVUOHRPVGPHRMH-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001318698715 958235148 /nfs/dbraw/zinc/23/51/48/958235148.db2.gz OTOJOGWMHQMPOZ-QGZVFWFLSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001318700800 958237094 /nfs/dbraw/zinc/23/70/94/958237094.db2.gz GCPNDQXIOVXMFU-XJKCOSOUSA-N 2 1 286.379 1.021 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001569329512 1169767847 /nfs/dbraw/zinc/76/78/47/1169767847.db2.gz OXSOWKKVMMKCIR-HZPDHXFCSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001321113614 959600147 /nfs/dbraw/zinc/60/01/47/959600147.db2.gz ZMLUURRAKRLJPM-QDNWOOLPSA-N 2 1 289.423 1.289 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001420784686 963235618 /nfs/dbraw/zinc/23/56/18/963235618.db2.gz HKAMMVFJHHQMTK-CHWSQXEVSA-N 2 1 285.819 1.175 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001441296360 964454376 /nfs/dbraw/zinc/45/43/76/964454376.db2.gz JWTYSSBZNQCYCB-ZDUSSCGKSA-N 2 1 287.835 1.564 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569478670 1169890946 /nfs/dbraw/zinc/89/09/46/1169890946.db2.gz MDYVQYKTRNACQQ-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)CC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001569492670 1169897993 /nfs/dbraw/zinc/89/79/93/1169897993.db2.gz GYSYEQZJHZZIMO-HNNXBMFYSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC ZINC000849044250 969429978 /nfs/dbraw/zinc/42/99/78/969429978.db2.gz CBZLHRCKJHIONY-MJBXVCDLSA-N 2 1 280.416 1.176 10 30 CDEEMP C[NH+]=C(NCCC[N@@H+](C)CC(C)C)NCc1ccco1 ZINC000849047115 969435157 /nfs/dbraw/zinc/43/51/57/969435157.db2.gz QTYCRESSODJSIS-UHFFFAOYSA-N 2 1 280.416 1.923 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC001466437206 969954835 /nfs/dbraw/zinc/95/48/35/969954835.db2.gz UNTYTDYZJFLLSU-UHFFFAOYSA-N 2 1 265.401 1.191 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001495943543 972713491 /nfs/dbraw/zinc/71/34/91/972713491.db2.gz HIZVUDHVYMBOEM-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001496183021 972828925 /nfs/dbraw/zinc/82/89/25/972828925.db2.gz MCGFEKCNCIQCJA-CQSZACIVSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001496366197 972899933 /nfs/dbraw/zinc/89/99/33/972899933.db2.gz ATXSVSUQJWOASA-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001496645419 973007583 /nfs/dbraw/zinc/00/75/83/973007583.db2.gz UGEKCRWMNZEBOM-KGLIPLIRSA-N 2 1 267.417 1.245 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001569654618 1169955415 /nfs/dbraw/zinc/95/54/15/1169955415.db2.gz JTYRIKRLYXMIQY-INIZCTEOSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001498808668 974067268 /nfs/dbraw/zinc/06/72/68/974067268.db2.gz XDXACQBWEZXAEH-HZPDHXFCSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001499367544 974243587 /nfs/dbraw/zinc/24/35/87/974243587.db2.gz RGFLJDDSXKNXSM-UHFFFAOYSA-N 2 1 290.411 1.821 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001500549820 974448735 /nfs/dbraw/zinc/44/87/35/974448735.db2.gz GIMDFPGUOPOCOA-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001377475050 975043329 /nfs/dbraw/zinc/04/33/29/975043329.db2.gz ODHNHWZVPTZMTK-CYBMUJFWSA-N 2 1 285.819 1.273 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001377475050 975043332 /nfs/dbraw/zinc/04/33/32/975043332.db2.gz ODHNHWZVPTZMTK-CYBMUJFWSA-N 2 1 285.819 1.273 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001505933103 975049219 /nfs/dbraw/zinc/04/92/19/975049219.db2.gz GDYGSIXLMKSDQZ-GFCCVEGCSA-N 2 1 264.373 1.355 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)CCc1cnc[nH]1 ZINC001505933103 975049224 /nfs/dbraw/zinc/04/92/24/975049224.db2.gz GDYGSIXLMKSDQZ-GFCCVEGCSA-N 2 1 264.373 1.355 10 30 CDEEMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001378735008 975463418 /nfs/dbraw/zinc/46/34/18/975463418.db2.gz YDQBJERUKRXJBU-FQUUOJAGSA-N 2 1 299.846 1.373 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001674681170 1173986652 /nfs/dbraw/zinc/98/66/52/1173986652.db2.gz PLNIAJLDDNPXOH-CHWSQXEVSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001674811466 1174011657 /nfs/dbraw/zinc/01/16/57/1174011657.db2.gz BVZLQHJCDYSHFN-UHFFFAOYSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001675343329 1174104433 /nfs/dbraw/zinc/10/44/33/1174104433.db2.gz NKBXDFJGBWHJEU-ZFWWWQNUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001676079001 1174179035 /nfs/dbraw/zinc/17/90/35/1174179035.db2.gz FPDZKFVVDJBYTN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001676079001 1174179045 /nfs/dbraw/zinc/17/90/45/1174179045.db2.gz FPDZKFVVDJBYTN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001676079001 1174179050 /nfs/dbraw/zinc/17/90/50/1174179050.db2.gz FPDZKFVVDJBYTN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653243 1170224637 /nfs/dbraw/zinc/22/46/37/1170224637.db2.gz OSZQCALZRWXDIV-CHWSQXEVSA-N 2 1 255.406 1.386 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001570824897 1170287756 /nfs/dbraw/zinc/28/77/56/1170287756.db2.gz HWUHFBKMPNPSPT-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001656235139 1171798935 /nfs/dbraw/zinc/79/89/35/1171798935.db2.gz PZGJGYZSLQUMTC-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441671 342907417 /nfs/dbraw/zinc/90/74/17/342907417.db2.gz UMANQRIGPZVIHA-KBPBESRZSA-N 2 1 280.416 1.388 10 30 CDEEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C#N)c(OC)c2)C1 ZINC000233517112 356357674 /nfs/dbraw/zinc/35/76/74/356357674.db2.gz OPUVRVXHMBPPEE-CQSZACIVSA-N 2 1 273.380 1.998 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000495089836 366516682 /nfs/dbraw/zinc/51/66/82/366516682.db2.gz GYIYTWMVVKWSCI-AWEZNQCLSA-N 2 1 279.428 1.674 10 30 CDEEMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396923 367824233 /nfs/dbraw/zinc/82/42/33/367824233.db2.gz QDNOVWAOBQVKQL-KGLIPLIRSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396923 367824239 /nfs/dbraw/zinc/82/42/39/367824239.db2.gz QDNOVWAOBQVKQL-KGLIPLIRSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396923 367824247 /nfs/dbraw/zinc/82/42/47/367824247.db2.gz QDNOVWAOBQVKQL-KGLIPLIRSA-N 2 1 265.401 1.315 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001661235907 1172358546 /nfs/dbraw/zinc/35/85/46/1172358546.db2.gz RHJDZMPJDVDVHF-HNNXBMFYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001661262889 1172360264 /nfs/dbraw/zinc/36/02/64/1172360264.db2.gz XIRUBDOPWKANAT-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](CCCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193607527 375877502 /nfs/dbraw/zinc/87/75/02/375877502.db2.gz LEDSOBKNOGTDHT-IYBDPMFKSA-N 2 1 285.391 1.821 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193607527 375877510 /nfs/dbraw/zinc/87/75/10/375877510.db2.gz LEDSOBKNOGTDHT-IYBDPMFKSA-N 2 1 285.391 1.821 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000344219673 379327833 /nfs/dbraw/zinc/32/78/33/379327833.db2.gz MYFUJRYOUCDDGF-DZGCQCFKSA-N 2 1 251.418 1.567 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000344219673 379327839 /nfs/dbraw/zinc/32/78/39/379327839.db2.gz MYFUJRYOUCDDGF-DZGCQCFKSA-N 2 1 251.418 1.567 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001663339224 1172675786 /nfs/dbraw/zinc/67/57/86/1172675786.db2.gz FVRYLOKNASSJFS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001663339224 1172675788 /nfs/dbraw/zinc/67/57/88/1172675788.db2.gz FVRYLOKNASSJFS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001665362578 1172986951 /nfs/dbraw/zinc/98/69/51/1172986951.db2.gz FBMANRJXOGERTH-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001665687211 1173038091 /nfs/dbraw/zinc/03/80/91/1173038091.db2.gz YXBSNSPCWUIAKC-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665687211 1173038097 /nfs/dbraw/zinc/03/80/97/1173038097.db2.gz YXBSNSPCWUIAKC-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001665687211 1173038104 /nfs/dbraw/zinc/03/81/04/1173038104.db2.gz YXBSNSPCWUIAKC-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@H]2CO)s1 ZINC000043683952 175092012 /nfs/dbraw/zinc/09/20/12/175092012.db2.gz YEVCXWCMPZURBA-LBPRGKRZSA-N 2 1 264.394 1.405 10 30 CDEEMP N#Cc1ccsc1NC(=O)CC[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000044530266 175195301 /nfs/dbraw/zinc/19/53/01/175195301.db2.gz YDHVVQASQVIKSM-NSHDSACASA-N 2 1 292.408 1.619 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C#CC[NH3+])cc1 ZINC000044566214 175208559 /nfs/dbraw/zinc/20/85/59/175208559.db2.gz YLGHUBHZMDRGMD-MRXNPFEDSA-N 2 1 285.391 1.211 10 30 CDEEMP [NH3+]CC#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000044679155 175228246 /nfs/dbraw/zinc/22/82/46/175228246.db2.gz MIMXUUTUWXULJH-NSHDSACASA-N 2 1 289.404 1.025 10 30 CDEEMP CCN[C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190765 176068323 /nfs/dbraw/zinc/06/83/23/176068323.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 2 1 266.433 1.542 10 30 CDEEMP CCN[C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190765 176068325 /nfs/dbraw/zinc/06/83/25/176068325.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 2 1 266.433 1.542 10 30 CDEEMP CCN[C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190765 176068326 /nfs/dbraw/zinc/06/83/26/176068326.db2.gz UDGLDVXNXXWOLW-GJZGRUSLSA-N 2 1 266.433 1.542 10 30 CDEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001667439631 1173267719 /nfs/dbraw/zinc/26/77/19/1173267719.db2.gz DEVTZRUCBANLIM-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001667549159 1173285736 /nfs/dbraw/zinc/28/57/36/1173285736.db2.gz LUZDOKXOBYZSNX-CABCVRRESA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001667549159 1173285743 /nfs/dbraw/zinc/28/57/43/1173285743.db2.gz LUZDOKXOBYZSNX-CABCVRRESA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001667549159 1173285747 /nfs/dbraw/zinc/28/57/47/1173285747.db2.gz LUZDOKXOBYZSNX-CABCVRRESA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001667549159 1173285753 /nfs/dbraw/zinc/28/57/53/1173285753.db2.gz LUZDOKXOBYZSNX-CABCVRRESA-N 2 1 297.443 1.062 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCCC=C ZINC001667580413 1173294613 /nfs/dbraw/zinc/29/46/13/1173294613.db2.gz HTPUCXIEFAFTRG-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCCC=C ZINC001667580413 1173294623 /nfs/dbraw/zinc/29/46/23/1173294623.db2.gz HTPUCXIEFAFTRG-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC=C ZINC001667580413 1173294628 /nfs/dbraw/zinc/29/46/28/1173294628.db2.gz HTPUCXIEFAFTRG-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC=C ZINC001667580413 1173294633 /nfs/dbraw/zinc/29/46/33/1173294633.db2.gz HTPUCXIEFAFTRG-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001667634031 1173302544 /nfs/dbraw/zinc/30/25/44/1173302544.db2.gz FCNQXLMWDVVZKV-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001667634031 1173302552 /nfs/dbraw/zinc/30/25/52/1173302552.db2.gz FCNQXLMWDVVZKV-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001667634031 1173302560 /nfs/dbraw/zinc/30/25/60/1173302560.db2.gz FCNQXLMWDVVZKV-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667693961 1173311693 /nfs/dbraw/zinc/31/16/93/1173311693.db2.gz KQCCZHHVVPHLIS-CABCVRRESA-N 2 1 291.439 1.437 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001668062063 1173364576 /nfs/dbraw/zinc/36/45/76/1173364576.db2.gz ZBLRLXCDJNUCRN-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001668215209 1173382729 /nfs/dbraw/zinc/38/27/29/1173382729.db2.gz YFSBCOKQKUWHEF-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001668614537 1173432486 /nfs/dbraw/zinc/43/24/86/1173432486.db2.gz XZUAKIRFLYOKMM-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(=C)C ZINC001670127532 1173655864 /nfs/dbraw/zinc/65/58/64/1173655864.db2.gz DMWLAWIVKFWWPA-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(=C)C ZINC001670127532 1173655876 /nfs/dbraw/zinc/65/58/76/1173655876.db2.gz DMWLAWIVKFWWPA-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCC=C ZINC001673445746 1173858659 /nfs/dbraw/zinc/85/86/59/1173858659.db2.gz LAZFULUIKDPURQ-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCC=C ZINC001673445746 1173858664 /nfs/dbraw/zinc/85/86/64/1173858664.db2.gz LAZFULUIKDPURQ-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC=C ZINC001673445746 1173858670 /nfs/dbraw/zinc/85/86/70/1173858670.db2.gz LAZFULUIKDPURQ-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC=C ZINC001673445746 1173858675 /nfs/dbraw/zinc/85/86/75/1173858675.db2.gz LAZFULUIKDPURQ-INIZCTEOSA-N 2 1 291.439 1.440 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@H]1CNC1=[NH+]CCN1C ZINC000262658992 330024974 /nfs/dbraw/zinc/02/49/74/330024974.db2.gz MKSXABSMLCJBHK-ZDUSSCGKSA-N 2 1 252.406 1.388 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220654 1159186081 /nfs/dbraw/zinc/18/60/81/1159186081.db2.gz ASZVGMVBWXYNAY-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220654 1159186084 /nfs/dbraw/zinc/18/60/84/1159186084.db2.gz ASZVGMVBWXYNAY-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267220654 1159186087 /nfs/dbraw/zinc/18/60/87/1159186087.db2.gz ASZVGMVBWXYNAY-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267220654 1159186089 /nfs/dbraw/zinc/18/60/89/1159186089.db2.gz ASZVGMVBWXYNAY-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001481174802 1159547165 /nfs/dbraw/zinc/54/71/65/1159547165.db2.gz YWUZEZPSSRNAPG-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001481174802 1159547167 /nfs/dbraw/zinc/54/71/67/1159547167.db2.gz YWUZEZPSSRNAPG-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001481174802 1159547171 /nfs/dbraw/zinc/54/71/71/1159547171.db2.gz YWUZEZPSSRNAPG-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000677478435 482501019 /nfs/dbraw/zinc/50/10/19/482501019.db2.gz YHWITXORPWGOHY-ZACQAIPSSA-N 2 1 295.471 1.414 10 30 CDEEMP CC(C)C[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608983 519708802 /nfs/dbraw/zinc/70/88/02/519708802.db2.gz VZUXUOHTXYGFDM-UHFFFAOYSA-N 2 1 260.381 1.963 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001715539852 1179709081 /nfs/dbraw/zinc/70/90/81/1179709081.db2.gz OTFQPYQABKOAIM-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001715826954 1179854250 /nfs/dbraw/zinc/85/42/50/1179854250.db2.gz HICHOZYZYLZRBM-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001715826954 1179854255 /nfs/dbraw/zinc/85/42/55/1179854255.db2.gz HICHOZYZYLZRBM-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001715826954 1179854261 /nfs/dbraw/zinc/85/42/61/1179854261.db2.gz HICHOZYZYLZRBM-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000049608321 527153098 /nfs/dbraw/zinc/15/30/98/527153098.db2.gz NTLGJOZWDIXCBU-CQSZACIVSA-N 2 1 258.365 1.201 10 30 CDEEMP [NH3+]CC#Cc1cccc(OCC[N@H+]2CCCC[C@@H]2CO)c1 ZINC000049609785 527153861 /nfs/dbraw/zinc/15/38/61/527153861.db2.gz QDSNCIFDEUERFW-MRXNPFEDSA-N 2 1 288.391 1.222 10 30 CDEEMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000250636836 536420575 /nfs/dbraw/zinc/42/05/75/536420575.db2.gz SFFSEPVDDJCZIN-GOEBONIOSA-N 2 1 273.380 1.475 10 30 CDEEMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[NH+](C)C1 ZINC000250636836 536420576 /nfs/dbraw/zinc/42/05/76/536420576.db2.gz SFFSEPVDDJCZIN-GOEBONIOSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000250636836 536420579 /nfs/dbraw/zinc/42/05/79/536420579.db2.gz SFFSEPVDDJCZIN-GOEBONIOSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000250636836 536420581 /nfs/dbraw/zinc/42/05/81/536420581.db2.gz SFFSEPVDDJCZIN-GOEBONIOSA-N 2 1 273.380 1.475 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217301 613328460 /nfs/dbraw/zinc/32/84/60/613328460.db2.gz MGBSUOMEOYNDIL-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217301 613328464 /nfs/dbraw/zinc/32/84/64/613328464.db2.gz MGBSUOMEOYNDIL-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217301 613328465 /nfs/dbraw/zinc/32/84/65/613328465.db2.gz MGBSUOMEOYNDIL-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C#C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000895434557 619660596 /nfs/dbraw/zinc/66/05/96/619660596.db2.gz BBXJTYAUVLGPBW-UYTSQGDYSA-N 2 1 262.397 1.630 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCn1cc[nH+]c1C(C)C ZINC000900680871 623368024 /nfs/dbraw/zinc/36/80/24/623368024.db2.gz ROKNAUYXEQZGKB-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000900950283 623665749 /nfs/dbraw/zinc/66/57/49/623665749.db2.gz WRHSWGJDKRECFH-UHFFFAOYSA-N 2 1 262.357 1.594 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000901134339 623892659 /nfs/dbraw/zinc/89/26/59/623892659.db2.gz GOSRCYDNZWMJTL-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[N@H+](CC)CN1C[C@H](c2cncn2C)CC1=O ZINC000902668994 625197528 /nfs/dbraw/zinc/19/75/28/625197528.db2.gz GUHGNZDZCBRNCB-CQSZACIVSA-N 2 1 290.411 1.982 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001691056689 1158852897 /nfs/dbraw/zinc/85/28/97/1158852897.db2.gz ZLTOJHJTDVPPEU-UHFFFAOYSA-N 2 1 281.444 1.877 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)C(C)C ZINC001691384527 1159045152 /nfs/dbraw/zinc/04/51/52/1159045152.db2.gz VCBIGIDJYJIPFH-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001691023723 1158538862 /nfs/dbraw/zinc/53/88/62/1158538862.db2.gz OZTMNAAQBVSTEC-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001691023723 1158538859 /nfs/dbraw/zinc/53/88/59/1158538859.db2.gz OZTMNAAQBVSTEC-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691023723 1158538860 /nfs/dbraw/zinc/53/88/60/1158538860.db2.gz OZTMNAAQBVSTEC-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691180559 1158947709 /nfs/dbraw/zinc/94/77/09/1158947709.db2.gz FAVDPDIRVDGUMR-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001490805086 1164867037 /nfs/dbraw/zinc/86/70/37/1164867037.db2.gz DEBNPLVXABOBLA-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001490805086 1164867043 /nfs/dbraw/zinc/86/70/43/1164867043.db2.gz DEBNPLVXABOBLA-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP N#Cc1cnccc1C[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001647243755 1168484065 /nfs/dbraw/zinc/48/40/65/1168484065.db2.gz PSGWBGAGIMLTKR-UHFFFAOYSA-N 2 1 270.380 1.919 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001566992395 1168489368 /nfs/dbraw/zinc/48/93/68/1168489368.db2.gz UYOKTPLCDVGPCZ-UHFFFAOYSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567324632 1168679718 /nfs/dbraw/zinc/67/97/18/1168679718.db2.gz WBCNFNYUKYTYHH-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001567343637 1168693080 /nfs/dbraw/zinc/69/30/80/1168693080.db2.gz BEAAOSBNJBVIAS-CYBMUJFWSA-N 2 1 255.406 1.197 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001567419016 1168745421 /nfs/dbraw/zinc/74/54/21/1168745421.db2.gz GMBCOAZIAJTVAD-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001567419016 1168745427 /nfs/dbraw/zinc/74/54/27/1168745427.db2.gz GMBCOAZIAJTVAD-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=C)C ZINC001568177085 1169163341 /nfs/dbraw/zinc/16/33/41/1169163341.db2.gz NHLFMBIYTRJNRC-CABCVRRESA-N 2 1 277.412 1.002 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=C)C ZINC001568177085 1169163345 /nfs/dbraw/zinc/16/33/45/1169163345.db2.gz NHLFMBIYTRJNRC-CABCVRRESA-N 2 1 277.412 1.002 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001569267364 1169742759 /nfs/dbraw/zinc/74/27/59/1169742759.db2.gz SJVDUXCNYJNJDE-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001569654280 1169956953 /nfs/dbraw/zinc/95/69/53/1169956953.db2.gz FMSATRYZDYRIBM-INIZCTEOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001569654280 1169956957 /nfs/dbraw/zinc/95/69/57/1169956957.db2.gz FMSATRYZDYRIBM-INIZCTEOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001569654280 1169956962 /nfs/dbraw/zinc/95/69/62/1169956962.db2.gz FMSATRYZDYRIBM-INIZCTEOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCOCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001570184022 1170104669 /nfs/dbraw/zinc/10/46/69/1170104669.db2.gz WCZDICIIQUMLHG-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001570543545 1170185106 /nfs/dbraw/zinc/18/51/06/1170185106.db2.gz JNUTWYNUVLKOTO-OAHLLOKOSA-N 2 1 289.423 1.028 10 30 CDEEMP C#CCC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001571351278 1170379175 /nfs/dbraw/zinc/37/91/75/1170379175.db2.gz NPWXVSCQZBFANV-HZPDHXFCSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001662711860 1172585085 /nfs/dbraw/zinc/58/50/85/1172585085.db2.gz MRQXCOJCOMBXLK-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC001583263215 1172749984 /nfs/dbraw/zinc/74/99/84/1172749984.db2.gz UPFJFNNKFCUAGI-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001669353245 1173538878 /nfs/dbraw/zinc/53/88/78/1173538878.db2.gz IONPVFVRPOBOHE-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001672897562 1173806568 /nfs/dbraw/zinc/80/65/68/1173806568.db2.gz SJJQQKPHLSWJRE-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001676854441 1174279750 /nfs/dbraw/zinc/27/97/50/1174279750.db2.gz UBQZOVNTANJVLK-ARFHVFGLSA-N 2 1 291.439 1.177 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698561442 1175844751 /nfs/dbraw/zinc/84/47/51/1175844751.db2.gz GBCBMQDHWIQRJN-AWEZNQCLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699403422 1176367835 /nfs/dbraw/zinc/36/78/35/1176367835.db2.gz XIEHXLNMZLGGEJ-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001699454577 1176419087 /nfs/dbraw/zinc/41/90/87/1176419087.db2.gz JFXSVHQWQPKEQC-OAHLLOKOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699454577 1176419089 /nfs/dbraw/zinc/41/90/89/1176419089.db2.gz JFXSVHQWQPKEQC-OAHLLOKOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001699454577 1176419099 /nfs/dbraw/zinc/41/90/99/1176419099.db2.gz JFXSVHQWQPKEQC-OAHLLOKOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)C(C)(C)[N@@H+](C)C2CCCC2)CC1 ZINC001699657140 1176554243 /nfs/dbraw/zinc/55/42/43/1176554243.db2.gz FVEZYCLPNOPEQV-UHFFFAOYSA-N 2 1 291.439 1.511 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699750448 1176605372 /nfs/dbraw/zinc/60/53/72/1176605372.db2.gz CVRZLNPNHDXTQI-HRCADAONSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001700358732 1176872904 /nfs/dbraw/zinc/87/29/04/1176872904.db2.gz YZFWHIYNJCRKRL-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001700358732 1176872909 /nfs/dbraw/zinc/87/29/09/1176872909.db2.gz YZFWHIYNJCRKRL-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001700358732 1176872914 /nfs/dbraw/zinc/87/29/14/1176872914.db2.gz YZFWHIYNJCRKRL-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001700447622 1176932719 /nfs/dbraw/zinc/93/27/19/1176932719.db2.gz GXKANKUDLVZTCK-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001707055349 1177927446 /nfs/dbraw/zinc/92/74/46/1177927446.db2.gz ZNQFQLQHONMERM-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001707110228 1177952845 /nfs/dbraw/zinc/95/28/45/1177952845.db2.gz YBBJQJOXXVPETA-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001707255145 1177984288 /nfs/dbraw/zinc/98/42/88/1177984288.db2.gz IEFPKUKXKQLFAF-KGLIPLIRSA-N 2 1 279.428 1.626 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001707269455 1177985705 /nfs/dbraw/zinc/98/57/05/1177985705.db2.gz YWOMPRGCIHPXEM-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001707269455 1177985711 /nfs/dbraw/zinc/98/57/11/1177985711.db2.gz YWOMPRGCIHPXEM-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001707269455 1177985720 /nfs/dbraw/zinc/98/57/20/1177985720.db2.gz YWOMPRGCIHPXEM-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC=C)C1CC1 ZINC001707478743 1178071994 /nfs/dbraw/zinc/07/19/94/1178071994.db2.gz BYYLZXFURFXYFC-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC=C)C1CC1 ZINC001707478743 1178072002 /nfs/dbraw/zinc/07/20/02/1178072002.db2.gz BYYLZXFURFXYFC-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC=C)C1CC1 ZINC001707478743 1178071977 /nfs/dbraw/zinc/07/19/77/1178071977.db2.gz BYYLZXFURFXYFC-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC=C)C1CC1 ZINC001707478743 1178071985 /nfs/dbraw/zinc/07/19/85/1178071985.db2.gz BYYLZXFURFXYFC-INIZCTEOSA-N 2 1 289.423 1.241 10 30 CDEEMP C=CC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001713052722 1178332118 /nfs/dbraw/zinc/33/21/18/1178332118.db2.gz IRIXUWXFSOWUMB-HNNXBMFYSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001713217602 1178439755 /nfs/dbraw/zinc/43/97/55/1178439755.db2.gz FQXAUJITIHBOQI-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001713217602 1178439760 /nfs/dbraw/zinc/43/97/60/1178439760.db2.gz FQXAUJITIHBOQI-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001713217602 1178439766 /nfs/dbraw/zinc/43/97/66/1178439766.db2.gz FQXAUJITIHBOQI-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001713477919 1178594549 /nfs/dbraw/zinc/59/45/49/1178594549.db2.gz JCMYYAUQXKVQQY-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713477919 1178594554 /nfs/dbraw/zinc/59/45/54/1178594554.db2.gz JCMYYAUQXKVQQY-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713477919 1178594560 /nfs/dbraw/zinc/59/45/60/1178594560.db2.gz JCMYYAUQXKVQQY-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713734139 1178728952 /nfs/dbraw/zinc/72/89/52/1178728952.db2.gz CSFMPUGULNDYSA-JKSUJKDBSA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714050085 1178946203 /nfs/dbraw/zinc/94/62/03/1178946203.db2.gz MYTYSUAKVUUUFI-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714050085 1178946208 /nfs/dbraw/zinc/94/62/08/1178946208.db2.gz MYTYSUAKVUUUFI-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714050085 1178946214 /nfs/dbraw/zinc/94/62/14/1178946214.db2.gz MYTYSUAKVUUUFI-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714153083 1178993246 /nfs/dbraw/zinc/99/32/46/1178993246.db2.gz YKWFXKAWCSVKLQ-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714153083 1178993248 /nfs/dbraw/zinc/99/32/48/1178993248.db2.gz YKWFXKAWCSVKLQ-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714153083 1178993252 /nfs/dbraw/zinc/99/32/52/1178993252.db2.gz YKWFXKAWCSVKLQ-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001714176600 1179003058 /nfs/dbraw/zinc/00/30/58/1179003058.db2.gz RIFGPUNNLKVRQI-OAHLLOKOSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001714820914 1179411126 /nfs/dbraw/zinc/41/11/26/1179411126.db2.gz UJTSYAXGMQLOGA-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[N@H+](CCCNC(=O)[C@@H]1C[NH+](C)CCO1)C(C)C ZINC001714820914 1179411128 /nfs/dbraw/zinc/41/11/28/1179411128.db2.gz UJTSYAXGMQLOGA-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001714820914 1179411132 /nfs/dbraw/zinc/41/11/32/1179411132.db2.gz UJTSYAXGMQLOGA-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001714820914 1179411133 /nfs/dbraw/zinc/41/11/33/1179411133.db2.gz UJTSYAXGMQLOGA-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001714828369 1179412382 /nfs/dbraw/zinc/41/23/82/1179412382.db2.gz HYOCDQXXINDOEL-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001714828369 1179412386 /nfs/dbraw/zinc/41/23/86/1179412386.db2.gz HYOCDQXXINDOEL-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001714828369 1179412388 /nfs/dbraw/zinc/41/23/88/1179412388.db2.gz HYOCDQXXINDOEL-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714894305 1179442196 /nfs/dbraw/zinc/44/21/96/1179442196.db2.gz GDTWBKSXIDKJNT-CABCVRRESA-N 2 1 299.434 1.633 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001715518527 1179695866 /nfs/dbraw/zinc/69/58/66/1179695866.db2.gz DIZAZTZASKUWJE-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001716022807 1179997428 /nfs/dbraw/zinc/99/74/28/1179997428.db2.gz GSFGAKJTRISOHU-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001716022807 1179997431 /nfs/dbraw/zinc/99/74/31/1179997431.db2.gz GSFGAKJTRISOHU-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001716022807 1179997436 /nfs/dbraw/zinc/99/74/36/1179997436.db2.gz GSFGAKJTRISOHU-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001716022807 1179997442 /nfs/dbraw/zinc/99/74/42/1179997442.db2.gz GSFGAKJTRISOHU-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001716519926 1180263895 /nfs/dbraw/zinc/26/38/95/1180263895.db2.gz IEFJSIUIWKWHJB-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001716877504 1180450544 /nfs/dbraw/zinc/45/05/44/1180450544.db2.gz ATHSSKHMHJBOGL-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717649540 1180773069 /nfs/dbraw/zinc/77/30/69/1180773069.db2.gz ORFZGWFFPXRRMK-BZUAXINKSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717738598 1180819864 /nfs/dbraw/zinc/81/98/64/1180819864.db2.gz PWWURHNXKXNVFH-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H]1C ZINC001717855862 1180895909 /nfs/dbraw/zinc/89/59/09/1180895909.db2.gz LMZNIDHZCASNSR-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001724704576 1181730486 /nfs/dbraw/zinc/73/04/86/1181730486.db2.gz BVNBPEBVEHDMRM-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001725137826 1181880442 /nfs/dbraw/zinc/88/04/42/1181880442.db2.gz WJVIKUMUXVDNAK-FHERZECASA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725234146 1181931161 /nfs/dbraw/zinc/93/11/61/1181931161.db2.gz LPRWEHDNHSONTH-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001725458421 1182008160 /nfs/dbraw/zinc/00/81/60/1182008160.db2.gz YAAUJJOBIIFXBT-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001725612528 1182072153 /nfs/dbraw/zinc/07/21/53/1182072153.db2.gz XWJQSYGLVGJBLZ-PBHICJAKSA-N 2 1 291.439 1.627 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001731492877 1182418569 /nfs/dbraw/zinc/41/85/69/1182418569.db2.gz JCBZQYMYGYJDDJ-IXDOHACOSA-N 2 1 299.418 1.549 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001731530726 1182437763 /nfs/dbraw/zinc/43/77/63/1182437763.db2.gz LNKPASNHBJYTIJ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001731770832 1182565874 /nfs/dbraw/zinc/56/58/74/1182565874.db2.gz CRWZJCYYRSZVGT-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001731770832 1182565881 /nfs/dbraw/zinc/56/58/81/1182565881.db2.gz CRWZJCYYRSZVGT-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001731770832 1182565884 /nfs/dbraw/zinc/56/58/84/1182565884.db2.gz CRWZJCYYRSZVGT-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731831268 1182614517 /nfs/dbraw/zinc/61/45/17/1182614517.db2.gz HOYLRVZFADYPKQ-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731831268 1182614519 /nfs/dbraw/zinc/61/45/19/1182614519.db2.gz HOYLRVZFADYPKQ-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001731875091 1182643168 /nfs/dbraw/zinc/64/31/68/1182643168.db2.gz KEEFKYKXUIYUNQ-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001731875091 1182643175 /nfs/dbraw/zinc/64/31/75/1182643175.db2.gz KEEFKYKXUIYUNQ-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731875091 1182643182 /nfs/dbraw/zinc/64/31/82/1182643182.db2.gz KEEFKYKXUIYUNQ-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001731875091 1182643187 /nfs/dbraw/zinc/64/31/87/1182643187.db2.gz KEEFKYKXUIYUNQ-INIZCTEOSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001731878804 1182648051 /nfs/dbraw/zinc/64/80/51/1182648051.db2.gz ZVTNTTUWQZJLGL-UHFFFAOYSA-N 2 1 291.439 1.772 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732049354 1182740874 /nfs/dbraw/zinc/74/08/74/1182740874.db2.gz QIXMULFILUVUBJ-CABCVRRESA-N 2 1 297.418 1.128 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001732078751 1182754998 /nfs/dbraw/zinc/75/49/98/1182754998.db2.gz BEJTWFONFGODOC-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@@H+](C)CCC ZINC001732150268 1182809883 /nfs/dbraw/zinc/80/98/83/1182809883.db2.gz RGMUWCBYUBQUFD-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001732150268 1182809894 /nfs/dbraw/zinc/80/98/94/1182809894.db2.gz RGMUWCBYUBQUFD-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001732150268 1182809904 /nfs/dbraw/zinc/80/99/04/1182809904.db2.gz RGMUWCBYUBQUFD-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001732150268 1182809918 /nfs/dbraw/zinc/80/99/18/1182809918.db2.gz RGMUWCBYUBQUFD-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732237599 1182875291 /nfs/dbraw/zinc/87/52/91/1182875291.db2.gz NUWSTRXZCNHPSJ-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001732557917 1183008268 /nfs/dbraw/zinc/00/82/68/1183008268.db2.gz YBUMMBSOYDKICQ-KBPBESRZSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001733108715 1183294504 /nfs/dbraw/zinc/29/45/04/1183294504.db2.gz ULRBONNAQUCJLU-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733347949 1183405426 /nfs/dbraw/zinc/40/54/26/1183405426.db2.gz FEVLPMFPZZOGNQ-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001733943354 1183578745 /nfs/dbraw/zinc/57/87/45/1183578745.db2.gz JIKGKWSSWBONHW-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001733943354 1183578749 /nfs/dbraw/zinc/57/87/49/1183578749.db2.gz JIKGKWSSWBONHW-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001733943354 1183578754 /nfs/dbraw/zinc/57/87/54/1183578754.db2.gz JIKGKWSSWBONHW-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001734242545 1183702032 /nfs/dbraw/zinc/70/20/32/1183702032.db2.gz WRGRBCCSOSMING-AWEZNQCLSA-N 2 1 279.428 1.369 10 30 CDEEMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123351456 784592533 /nfs/dbraw/zinc/59/25/33/784592533.db2.gz DRYHDEANDDAOKH-AWEZNQCLSA-N 2 1 283.379 1.637 10 30 CDEEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123351456 784592562 /nfs/dbraw/zinc/59/25/62/784592562.db2.gz DRYHDEANDDAOKH-AWEZNQCLSA-N 2 1 283.379 1.637 10 30 CDEEMP CN(C)c1cc(NC(=O)C#CC2CC[NH2+]CC2)cc[nH+]1 ZINC000852873304 784804353 /nfs/dbraw/zinc/80/43/53/784804353.db2.gz ZSEOLEZVERKOGI-UHFFFAOYSA-N 2 1 272.352 1.089 10 30 CDEEMP C=CCSCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261889092 784972246 /nfs/dbraw/zinc/97/22/46/784972246.db2.gz GGPFSYHQCGSFCQ-MGPQQGTHSA-N 2 1 270.442 1.652 10 30 CDEEMP C#C[C@H]1CCC[N@@H+](CCOCC[NH+]2CCC[C@@H](C#C)C2)C1 ZINC000847021749 788393262 /nfs/dbraw/zinc/39/32/62/788393262.db2.gz OMDZRBRCHKMENS-HDICACEKSA-N 2 1 288.435 1.693 10 30 CDEEMP C#C[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847021749 788393269 /nfs/dbraw/zinc/39/32/69/788393269.db2.gz OMDZRBRCHKMENS-HDICACEKSA-N 2 1 288.435 1.693 10 30 CDEEMP C#C[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](C#C)C2)C1 ZINC000847021749 788393278 /nfs/dbraw/zinc/39/32/78/788393278.db2.gz OMDZRBRCHKMENS-HDICACEKSA-N 2 1 288.435 1.693 10 30 CDEEMP C[C@@H]1NCCC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000925727577 788745986 /nfs/dbraw/zinc/74/59/86/788745986.db2.gz HXGIJISNBCLSNP-IUIKQTSFSA-N 2 1 255.365 1.756 10 30 CDEEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000925727577 788746000 /nfs/dbraw/zinc/74/60/00/788746000.db2.gz HXGIJISNBCLSNP-IUIKQTSFSA-N 2 1 255.365 1.756 10 30 CDEEMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315439 788864562 /nfs/dbraw/zinc/86/45/62/788864562.db2.gz MHWIDZSIQQFVQY-HOCLYGCPSA-N 2 1 277.412 1.459 10 30 CDEEMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315439 788864563 /nfs/dbraw/zinc/86/45/63/788864563.db2.gz MHWIDZSIQQFVQY-HOCLYGCPSA-N 2 1 277.412 1.459 10 30 CDEEMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315439 788864564 /nfs/dbraw/zinc/86/45/64/788864564.db2.gz MHWIDZSIQQFVQY-HOCLYGCPSA-N 2 1 277.412 1.459 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872073232 789384912 /nfs/dbraw/zinc/38/49/12/789384912.db2.gz NEPUPYBMYWIHOB-GJZGRUSLSA-N 2 1 252.402 1.736 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000872073232 789384922 /nfs/dbraw/zinc/38/49/22/789384922.db2.gz NEPUPYBMYWIHOB-GJZGRUSLSA-N 2 1 252.402 1.736 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000922533233 789819241 /nfs/dbraw/zinc/81/92/41/789819241.db2.gz OXTOEVGPNDXHJS-CQSZACIVSA-N 2 1 294.443 1.112 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566871613 1168453484 /nfs/dbraw/zinc/45/34/84/1168453484.db2.gz HEWRKYKLCDXEIS-CVEARBPZSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001566881402 1168455715 /nfs/dbraw/zinc/45/57/15/1168455715.db2.gz ROBPXADIIPRGGF-INIZCTEOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266285415 894124581 /nfs/dbraw/zinc/12/45/81/894124581.db2.gz XVFGRIRQQRYANT-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266285415 894124589 /nfs/dbraw/zinc/12/45/89/894124589.db2.gz XVFGRIRQQRYANT-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266285415 894124596 /nfs/dbraw/zinc/12/45/96/894124596.db2.gz XVFGRIRQQRYANT-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001266562183 895372847 /nfs/dbraw/zinc/37/28/47/895372847.db2.gz POPAUSSXSPDNSF-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001266622130 895613348 /nfs/dbraw/zinc/61/33/48/895613348.db2.gz QXPJLNQQMXGYLH-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001266622130 895613353 /nfs/dbraw/zinc/61/33/53/895613353.db2.gz QXPJLNQQMXGYLH-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001266622130 895613343 /nfs/dbraw/zinc/61/33/43/895613343.db2.gz QXPJLNQQMXGYLH-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001267012608 896552640 /nfs/dbraw/zinc/55/26/40/896552640.db2.gz VMLYHEFJIYBWRB-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001267315116 897567145 /nfs/dbraw/zinc/56/71/45/897567145.db2.gz YNWWDUQBNFPYPY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001267315116 897567151 /nfs/dbraw/zinc/56/71/51/897567151.db2.gz YNWWDUQBNFPYPY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267315116 897567160 /nfs/dbraw/zinc/56/71/60/897567160.db2.gz YNWWDUQBNFPYPY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267446832 897913851 /nfs/dbraw/zinc/91/38/51/897913851.db2.gz BPLXMHDWZBRLAE-UHFFFAOYSA-N 2 1 285.351 1.115 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267557482 898353567 /nfs/dbraw/zinc/35/35/67/898353567.db2.gz GBCWVAYKLOXGFI-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001267567436 898389103 /nfs/dbraw/zinc/38/91/03/898389103.db2.gz CEKLNTHEYTYBJR-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 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CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320020230 958869278 /nfs/dbraw/zinc/86/92/78/958869278.db2.gz GZABDFHMIYRCRJ-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001320020230 958869293 /nfs/dbraw/zinc/86/92/93/958869293.db2.gz GZABDFHMIYRCRJ-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321057138 959564806 /nfs/dbraw/zinc/56/48/06/959564806.db2.gz NMGLFVWUSQRGMN-NFAHFFEMSA-N 2 1 279.428 1.697 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H](F)CC ZINC001321096065 959591551 /nfs/dbraw/zinc/59/15/51/959591551.db2.gz GAVQFDYFYHYJPL-JGUVHBTRSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@H](F)CC ZINC001321096065 959591566 /nfs/dbraw/zinc/59/15/66/959591566.db2.gz GAVQFDYFYHYJPL-JGUVHBTRSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001495430316 972497362 /nfs/dbraw/zinc/49/73/62/972497362.db2.gz JTNOMOXBNIKMEV-HNNXBMFYSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001324343781 961316045 /nfs/dbraw/zinc/31/60/45/961316045.db2.gz TXXBPGQELACVKY-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001420014180 962344368 /nfs/dbraw/zinc/34/43/68/962344368.db2.gz LMQHQPHKQDOICS-ZDUSSCGKSA-N 2 1 287.835 1.517 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC001461991239 969660132 /nfs/dbraw/zinc/66/01/32/969660132.db2.gz BHEIDVZKJKMBKP-GDBMZVCRSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001496781653 973092785 /nfs/dbraw/zinc/09/27/85/973092785.db2.gz XEDINMLHLCMRIL-HNNXBMFYSA-N 2 1 281.444 1.520 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497663912 973454806 /nfs/dbraw/zinc/45/48/06/973454806.db2.gz WIMFNQRDEWLHOQ-BEVHLOIGSA-N 2 1 265.401 1.165 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001374206274 973808244 /nfs/dbraw/zinc/80/82/44/973808244.db2.gz NIMXGFSDGJZRQA-RYUDHWBXSA-N 2 1 273.808 1.270 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCCC ZINC001498998676 974155975 /nfs/dbraw/zinc/15/59/75/974155975.db2.gz QIGKFKIWDDVHDC-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001499261925 974222839 /nfs/dbraw/zinc/22/28/39/974222839.db2.gz RIWPEYXWKOGOIY-CABCVRRESA-N 2 1 291.439 1.818 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001501147430 974542366 /nfs/dbraw/zinc/54/23/66/974542366.db2.gz XYBWIFQXPDXGND-KBPBESRZSA-N 2 1 267.417 1.198 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001501404562 974577920 /nfs/dbraw/zinc/57/79/20/974577920.db2.gz SJQWBSWIKIAQFL-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001501404562 974577926 /nfs/dbraw/zinc/57/79/26/974577926.db2.gz SJQWBSWIKIAQFL-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001501404562 974577931 /nfs/dbraw/zinc/57/79/31/974577931.db2.gz SJQWBSWIKIAQFL-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001501404563 974579434 /nfs/dbraw/zinc/57/94/34/974579434.db2.gz SJQWBSWIKIAQFL-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001501404563 974579439 /nfs/dbraw/zinc/57/94/39/974579439.db2.gz SJQWBSWIKIAQFL-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001501404563 974579445 /nfs/dbraw/zinc/57/94/45/974579445.db2.gz SJQWBSWIKIAQFL-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001502510874 974745905 /nfs/dbraw/zinc/74/59/05/974745905.db2.gz GYDQHYVKVDNBBT-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001502772803 974781388 /nfs/dbraw/zinc/78/13/88/974781388.db2.gz WOZYTRJCZZFEEU-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001505736398 974976497 /nfs/dbraw/zinc/97/64/97/974976497.db2.gz SNOVWWVALVBORE-VXGBXAGGSA-N 2 1 275.824 1.564 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001506744994 975213956 /nfs/dbraw/zinc/21/39/56/975213956.db2.gz CKKAVMZKMTUGOX-HUUCEWRRSA-N 2 1 293.455 1.423 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507029667 975299668 /nfs/dbraw/zinc/29/96/68/975299668.db2.gz XNTRRQRFKNUIJU-HOCLYGCPSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001507418736 975462574 /nfs/dbraw/zinc/46/25/74/975462574.db2.gz JCJUQXXXVLZWAE-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001393052206 977688338 /nfs/dbraw/zinc/68/83/38/977688338.db2.gz REEZXLRBGQESAT-UONOGXRCSA-N 2 1 299.846 1.804 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001674233529 1173925914 /nfs/dbraw/zinc/92/59/14/1173925914.db2.gz RJQUBSMNTJTTBG-XJKSGUPXSA-N 2 1 297.418 1.317 10 30 CDEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001675139542 1174079700 /nfs/dbraw/zinc/07/97/00/1174079700.db2.gz FMUIXARKDDYLBU-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001677306532 1174347216 /nfs/dbraw/zinc/34/72/16/1174347216.db2.gz KUMXBLDYACCRIF-ZIAGYGMSSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001570702723 1170241594 /nfs/dbraw/zinc/24/15/94/1170241594.db2.gz XLKYZWRACMHMDG-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001570702723 1170241600 /nfs/dbraw/zinc/24/16/00/1170241600.db2.gz XLKYZWRACMHMDG-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001570702723 1170241605 /nfs/dbraw/zinc/24/16/05/1170241605.db2.gz XLKYZWRACMHMDG-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571256921 1170356666 /nfs/dbraw/zinc/35/66/66/1170356666.db2.gz FOEACAUODLMRMS-RBSFLKMASA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656235140 1171799000 /nfs/dbraw/zinc/79/90/00/1171799000.db2.gz PZGJGYZSLQUMTC-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CC[N@H+]1C ZINC000600723791 342245014 /nfs/dbraw/zinc/24/50/14/342245014.db2.gz LZLYLDCRIPYMGM-JHJVBQTASA-N 2 1 251.374 1.113 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777826 412497624 /nfs/dbraw/zinc/49/76/24/412497624.db2.gz ZEZQGQRPUNPDLJ-XIRDDKMYSA-N 2 1 294.439 1.811 10 30 CDEEMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C#N)cc1F ZINC000401713807 349723077 /nfs/dbraw/zinc/72/30/77/349723077.db2.gz GFPOMCVWOBCKHX-UHFFFAOYSA-N 2 1 258.300 1.763 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cn1 ZINC000596364158 343311036 /nfs/dbraw/zinc/31/10/36/343311036.db2.gz YFOWOYXEQKTGIC-ZDUSSCGKSA-N 2 1 275.400 1.059 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C#N)cn1 ZINC000596364158 343311037 /nfs/dbraw/zinc/31/10/37/343311037.db2.gz YFOWOYXEQKTGIC-ZDUSSCGKSA-N 2 1 275.400 1.059 10 30 CDEEMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596651297 343371115 /nfs/dbraw/zinc/37/11/15/343371115.db2.gz MAGXVQXZIFAJML-MELADBBJSA-N 2 1 265.401 1.802 10 30 CDEEMP C=CCN1CC[C@H]([N@H+](C)CC2CC[NH+](CC)CC2)C1=O ZINC001659013629 1172088434 /nfs/dbraw/zinc/08/84/34/1172088434.db2.gz AFCGUBAADQRKIA-HNNXBMFYSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001660409084 1172212492 /nfs/dbraw/zinc/21/24/92/1172212492.db2.gz TZUDNEVOJLXWIM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001660409084 1172212497 /nfs/dbraw/zinc/21/24/97/1172212497.db2.gz TZUDNEVOJLXWIM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001660409084 1172212502 /nfs/dbraw/zinc/21/25/02/1172212502.db2.gz TZUDNEVOJLXWIM-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000344611755 357041630 /nfs/dbraw/zinc/04/16/30/357041630.db2.gz BHNLAXURKJICOK-GXTWGEPZSA-N 2 1 283.379 1.778 10 30 CDEEMP C[C@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000344611755 357041635 /nfs/dbraw/zinc/04/16/35/357041635.db2.gz BHNLAXURKJICOK-GXTWGEPZSA-N 2 1 283.379 1.778 10 30 CDEEMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352835254 374364673 /nfs/dbraw/zinc/36/46/73/374364673.db2.gz OGSUTTOQZQQUPX-LBPRGKRZSA-N 2 1 293.440 1.130 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001663123736 1172637092 /nfs/dbraw/zinc/63/70/92/1172637092.db2.gz JXHVQBJRFZIJDM-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001663123736 1172637095 /nfs/dbraw/zinc/63/70/95/1172637095.db2.gz JXHVQBJRFZIJDM-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001663123736 1172637097 /nfs/dbraw/zinc/63/70/97/1172637097.db2.gz JXHVQBJRFZIJDM-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663119533 1172637457 /nfs/dbraw/zinc/63/74/57/1172637457.db2.gz KECFVGNNPHJUQV-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001663119533 1172637447 /nfs/dbraw/zinc/63/74/47/1172637447.db2.gz KECFVGNNPHJUQV-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663119533 1172637451 /nfs/dbraw/zinc/63/74/51/1172637451.db2.gz KECFVGNNPHJUQV-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001663928201 1172790432 /nfs/dbraw/zinc/79/04/32/1172790432.db2.gz RBOYWTKZTIIWHU-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295146 414620830 /nfs/dbraw/zinc/62/08/30/414620830.db2.gz FNZCCYVERMHKRT-HIFRSBDPSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCN1CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040623271 174355798 /nfs/dbraw/zinc/35/57/98/174355798.db2.gz JTJPRQBDCPNVQE-HNNXBMFYSA-N 2 1 263.429 1.404 10 30 CDEEMP CC[N@@H+](Cc1sccc1C#CC[NH3+])[C@H](C)COC ZINC000043684258 175093155 /nfs/dbraw/zinc/09/31/55/175093155.db2.gz SOVMAQLICOOZBS-GFCCVEGCSA-N 2 1 266.410 1.915 10 30 CDEEMP CN(Cc1cc(C#CC[NH3+])cs1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190467 176066271 /nfs/dbraw/zinc/06/62/71/176066271.db2.gz BDWCJTSLGNDIEH-AWEZNQCLSA-N 2 1 277.437 1.442 10 30 CDEEMP C[N@@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CC[NH+](C)C1 ZINC000071190467 176066272 /nfs/dbraw/zinc/06/62/72/176066272.db2.gz BDWCJTSLGNDIEH-AWEZNQCLSA-N 3 1 277.437 1.442 10 30 CDEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CC[NH+](C)C1 ZINC000071190467 176066273 /nfs/dbraw/zinc/06/62/73/176066273.db2.gz BDWCJTSLGNDIEH-AWEZNQCLSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CC[N@H+](C)C1 ZINC000071190467 176066275 /nfs/dbraw/zinc/06/62/75/176066275.db2.gz BDWCJTSLGNDIEH-AWEZNQCLSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1cc(C#CC[NH3+])cs1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190467 176066277 /nfs/dbraw/zinc/06/62/77/176066277.db2.gz BDWCJTSLGNDIEH-AWEZNQCLSA-N 3 1 277.437 1.442 10 30 CDEEMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000071192975 176074611 /nfs/dbraw/zinc/07/46/11/176074611.db2.gz VZMNGVSPXTYHRA-HNNXBMFYSA-N 2 1 285.391 1.021 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001667306252 1173251100 /nfs/dbraw/zinc/25/11/00/1173251100.db2.gz AWTOFMWAAIDJQI-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001669581007 1173572586 /nfs/dbraw/zinc/57/25/86/1173572586.db2.gz XNMWYQYNKZNOML-DZGCQCFKSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001672863493 1173805337 /nfs/dbraw/zinc/80/53/37/1173805337.db2.gz MXKBTBVJNUCWDM-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262496796 330017883 /nfs/dbraw/zinc/01/78/83/330017883.db2.gz WUVVWQUHHFLSHN-KBPBESRZSA-N 2 1 296.459 1.532 10 30 CDEEMP CN1CCC(CNC(=[NH2+])NC2CC2)([NH+]2CCCCC2)CC1 ZINC000262661817 330025069 /nfs/dbraw/zinc/02/50/69/330025069.db2.gz LYPROQQDOKKBFO-UHFFFAOYSA-N 2 1 293.459 1.003 10 30 CDEEMP C[NH+]=C(NCC1(O)CCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262766563 330030116 /nfs/dbraw/zinc/03/01/16/330030116.db2.gz GFCCXZDSWXIFAQ-AGUYFDCRSA-N 2 1 294.443 1.082 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262823707 330034285 /nfs/dbraw/zinc/03/42/85/330034285.db2.gz ZBYLLQRMXPUAAM-AWEZNQCLSA-N 2 1 294.443 1.159 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CC12CCOCC2 ZINC000262852472 330035334 /nfs/dbraw/zinc/03/53/34/330035334.db2.gz XETGDPHGDDHXPA-ZIAGYGMSSA-N 2 1 294.443 1.192 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268069700 1159774450 /nfs/dbraw/zinc/77/44/50/1159774450.db2.gz ZQNPIMPLDBXRAD-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001671695194 1161402197 /nfs/dbraw/zinc/40/21/97/1161402197.db2.gz ZWHTWCIIVCWZAZ-MRXNPFEDSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671695194 1161402201 /nfs/dbraw/zinc/40/22/01/1161402201.db2.gz ZWHTWCIIVCWZAZ-MRXNPFEDSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671695194 1161402205 /nfs/dbraw/zinc/40/22/05/1161402205.db2.gz ZWHTWCIIVCWZAZ-MRXNPFEDSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713310574 1178489186 /nfs/dbraw/zinc/48/91/86/1178489186.db2.gz XJXXUTGMCUIPOO-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001731876229 1182646070 /nfs/dbraw/zinc/64/60/70/1182646070.db2.gz DVEGREOZNQTOSH-UHFFFAOYSA-N 2 1 265.401 1.237 10 30 CDEEMP CCN[C@@H](C#N)CC[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000063121597 520058360 /nfs/dbraw/zinc/05/83/60/520058360.db2.gz WROQELMJBUZYLM-CQSZACIVSA-N 2 1 252.406 1.152 10 30 CDEEMP CN(C)C[C@H]1CCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000061652282 521869405 /nfs/dbraw/zinc/86/94/05/521869405.db2.gz QMLLVVHGSUSXFX-CQSZACIVSA-N 2 1 277.437 1.584 10 30 CDEEMP CN(C)C[C@H]1CCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000061652282 521869415 /nfs/dbraw/zinc/86/94/15/521869415.db2.gz QMLLVVHGSUSXFX-CQSZACIVSA-N 2 1 277.437 1.584 10 30 CDEEMP COc1ccc(C[N@@H+](C)CC2CC2)cc1C#CC[NH3+] ZINC000049609432 524001803 /nfs/dbraw/zinc/00/18/03/524001803.db2.gz POUSBVIBAKPZCP-UHFFFAOYSA-N 2 1 258.365 1.847 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000049609815 527147492 /nfs/dbraw/zinc/14/74/92/527147492.db2.gz ADMFXMCUTCUYGB-HNNXBMFYSA-N 2 1 262.328 1.093 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926491675 617899454 /nfs/dbraw/zinc/89/94/54/617899454.db2.gz YWWZSAPGSZPLKW-HZPDHXFCSA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CCCOC1 ZINC000926491675 617899455 /nfs/dbraw/zinc/89/94/55/617899455.db2.gz YWWZSAPGSZPLKW-HZPDHXFCSA-N 2 1 264.413 1.736 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000903449473 626000107 /nfs/dbraw/zinc/00/01/07/626000107.db2.gz CVAPBLITPUVIOD-GASCZTMLSA-N 2 1 255.365 1.826 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001266409601 1158534951 /nfs/dbraw/zinc/53/49/51/1158534951.db2.gz MURIECTZVATLHV-JKSUJKDBSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001691034825 1158644329 /nfs/dbraw/zinc/64/43/29/1158644329.db2.gz WUYXKHWHVSWDCR-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001691989261 1158654018 /nfs/dbraw/zinc/65/40/18/1158654018.db2.gz CRPGJPFXTSXTNB-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001691989261 1158654024 /nfs/dbraw/zinc/65/40/24/1158654024.db2.gz CRPGJPFXTSXTNB-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001691989261 1158654028 /nfs/dbraw/zinc/65/40/28/1158654028.db2.gz CRPGJPFXTSXTNB-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001670475797 1158615859 /nfs/dbraw/zinc/61/58/59/1158615859.db2.gz ZFCWHVDXAFNYPM-BMFZPTHFSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC001267671276 1159564702 /nfs/dbraw/zinc/56/47/02/1159564702.db2.gz AJRKRSBAMNFSBO-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001267671276 1159564704 /nfs/dbraw/zinc/56/47/04/1159564704.db2.gz AJRKRSBAMNFSBO-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732369429 1160523728 /nfs/dbraw/zinc/52/37/28/1160523728.db2.gz GBVWKEGZVRIRIU-UONOGXRCSA-N 2 1 267.417 1.246 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=C)C)C1 ZINC001567128900 1168587707 /nfs/dbraw/zinc/58/77/07/1168587707.db2.gz XIKNILUDUDVCDS-CVEARBPZSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=C)C)C1 ZINC001567128900 1168587728 /nfs/dbraw/zinc/58/77/28/1168587728.db2.gz XIKNILUDUDVCDS-CVEARBPZSA-N 2 1 289.423 1.098 10 30 CDEEMP C=CC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001663731520 1172752905 /nfs/dbraw/zinc/75/29/05/1172752905.db2.gz ZQKXNPCBBNFGPN-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001663731520 1172752910 /nfs/dbraw/zinc/75/29/10/1172752910.db2.gz ZQKXNPCBBNFGPN-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001663731520 1172752913 /nfs/dbraw/zinc/75/29/13/1172752913.db2.gz ZQKXNPCBBNFGPN-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001665792665 1173062292 /nfs/dbraw/zinc/06/22/92/1173062292.db2.gz ILNNJRRQSLVIOY-HZSPNIEDSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001665810228 1173066059 /nfs/dbraw/zinc/06/60/59/1173066059.db2.gz RCMUHRMFVXHPKU-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001690197873 1175401025 /nfs/dbraw/zinc/40/10/25/1175401025.db2.gz XEFRRRZRKJJWGW-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001690197873 1175401039 /nfs/dbraw/zinc/40/10/39/1175401039.db2.gz XEFRRRZRKJJWGW-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001690197873 1175401051 /nfs/dbraw/zinc/40/10/51/1175401051.db2.gz XEFRRRZRKJJWGW-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001690459727 1175476167 /nfs/dbraw/zinc/47/61/67/1175476167.db2.gz SBLUXCDQSCVELZ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001690459727 1175476172 /nfs/dbraw/zinc/47/61/72/1175476172.db2.gz SBLUXCDQSCVELZ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001690459727 1175476176 /nfs/dbraw/zinc/47/61/76/1175476176.db2.gz SBLUXCDQSCVELZ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698668758 1175892046 /nfs/dbraw/zinc/89/20/46/1175892046.db2.gz UBZCOQCILNHITN-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001698831832 1175954913 /nfs/dbraw/zinc/95/49/13/1175954913.db2.gz IKLAXPAXUYTPDK-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001699215259 1176143468 /nfs/dbraw/zinc/14/34/68/1176143468.db2.gz KWTVFZOTEARCTL-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001699466692 1176428246 /nfs/dbraw/zinc/42/82/46/1176428246.db2.gz DSWLYSLKPVMKMM-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001699466692 1176428252 /nfs/dbraw/zinc/42/82/52/1176428252.db2.gz DSWLYSLKPVMKMM-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001699590612 1176489530 /nfs/dbraw/zinc/48/95/30/1176489530.db2.gz TYDRXUIPXHUFSW-DZGCQCFKSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001699702500 1176571145 /nfs/dbraw/zinc/57/11/45/1176571145.db2.gz YZCKFTMWSILUAL-MRXNPFEDSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203925 1176796568 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C=CCC[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731885487 1182652579 /nfs/dbraw/zinc/65/25/79/1182652579.db2.gz ODUJITAOFLDHFQ-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001731885651 1182652827 /nfs/dbraw/zinc/65/28/27/1182652827.db2.gz TZFOUZBQMAZOAO-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731885651 1182652832 /nfs/dbraw/zinc/65/28/32/1182652832.db2.gz TZFOUZBQMAZOAO-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001731885651 1182652834 /nfs/dbraw/zinc/65/28/34/1182652834.db2.gz TZFOUZBQMAZOAO-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732003211 1182720228 /nfs/dbraw/zinc/72/02/28/1182720228.db2.gz YULYRIPKIXLUPB-HOCLYGCPSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001732076401 1182753642 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CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317467504 956340373 /nfs/dbraw/zinc/34/03/73/956340373.db2.gz UXGWIIFCEQMRBI-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317467504 956340386 /nfs/dbraw/zinc/34/03/86/956340386.db2.gz UXGWIIFCEQMRBI-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316990688 956918865 /nfs/dbraw/zinc/91/88/65/956918865.db2.gz JIJNMPKPXRWODM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316990688 956918874 /nfs/dbraw/zinc/91/88/74/956918874.db2.gz JIJNMPKPXRWODM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316990688 956918885 /nfs/dbraw/zinc/91/88/85/956918885.db2.gz JIJNMPKPXRWODM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001316806677 957029195 /nfs/dbraw/zinc/02/91/95/957029195.db2.gz LEQZCNFPHVTYGA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001316806677 957029212 /nfs/dbraw/zinc/02/92/12/957029212.db2.gz LEQZCNFPHVTYGA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001316806677 957029222 /nfs/dbraw/zinc/02/92/22/957029222.db2.gz LEQZCNFPHVTYGA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001331927506 957340599 /nfs/dbraw/zinc/34/05/99/957340599.db2.gz CFLJPOSAQFUPQD-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317245225 957375741 /nfs/dbraw/zinc/37/57/41/957375741.db2.gz GGGXUIASNYKHNV-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001332121166 957441095 /nfs/dbraw/zinc/44/10/95/957441095.db2.gz XRVFORAQAGOVOG-ZBFHGGJFSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001332121166 957441100 /nfs/dbraw/zinc/44/11/00/957441100.db2.gz XRVFORAQAGOVOG-ZBFHGGJFSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CCC ZINC001317540494 957536468 /nfs/dbraw/zinc/53/64/68/957536468.db2.gz IONKTZGXFIMNSE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CCC ZINC001317540494 957536473 /nfs/dbraw/zinc/53/64/73/957536473.db2.gz IONKTZGXFIMNSE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001317562267 957556205 /nfs/dbraw/zinc/55/62/05/957556205.db2.gz XHXAZHOOOGKZMK-KBPBESRZSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001317562267 957556213 /nfs/dbraw/zinc/55/62/13/957556213.db2.gz XHXAZHOOOGKZMK-KBPBESRZSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317560826 957556918 /nfs/dbraw/zinc/55/69/18/957556918.db2.gz BSWCBIYNTGMQJL-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001332806591 957850301 /nfs/dbraw/zinc/85/03/01/957850301.db2.gz LQAQIZSHFOJOJP-HUUCEWRRSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001318373797 958067808 /nfs/dbraw/zinc/06/78/08/958067808.db2.gz GVLFGRNUTOOVEU-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001318998510 958335621 /nfs/dbraw/zinc/33/56/21/958335621.db2.gz ILCGPBZQTDNRFC-UHFFFAOYSA-N 2 1 298.390 1.784 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001320464420 959188370 /nfs/dbraw/zinc/18/83/70/959188370.db2.gz ODGPJMGIMMFEID-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001569329083 1169768262 /nfs/dbraw/zinc/76/82/62/1169768262.db2.gz FSLDUAQIBGGFNW-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001321418752 959775506 /nfs/dbraw/zinc/77/55/06/959775506.db2.gz IMAVBWURRKUXRS-ZPIQOJFGSA-N 2 1 277.412 1.146 10 30 CDEEMP C[C@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001321480108 959809279 /nfs/dbraw/zinc/80/92/79/959809279.db2.gz WXWYWXTZZGMKRY-WBVHZDCISA-N 2 1 299.418 1.227 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001322167874 960118198 /nfs/dbraw/zinc/11/81/98/960118198.db2.gz HLVSPQYILNUEIK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001322167874 960118210 /nfs/dbraw/zinc/11/82/10/960118210.db2.gz HLVSPQYILNUEIK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001322167874 960118219 /nfs/dbraw/zinc/11/82/19/960118219.db2.gz HLVSPQYILNUEIK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001495379978 972485511 /nfs/dbraw/zinc/48/55/11/972485511.db2.gz PCHFBWVBRUFCQI-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001324286885 961285210 /nfs/dbraw/zinc/28/52/10/961285210.db2.gz VDYWQRJPOVPBFY-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496846092 973119814 /nfs/dbraw/zinc/11/98/14/973119814.db2.gz ZPDROGJFUDTPLX-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498401558 973886635 /nfs/dbraw/zinc/88/66/35/973886635.db2.gz ZRBLNJASDYBFGS-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001507289607 975400587 /nfs/dbraw/zinc/40/05/87/975400587.db2.gz SLPOGYYKWOJABG-UONOGXRCSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001675478691 1174118947 /nfs/dbraw/zinc/11/89/47/1174118947.db2.gz CKKAVMZKMTUGOX-CABCVRRESA-N 2 1 293.455 1.423 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001675958607 1174168750 /nfs/dbraw/zinc/16/87/50/1174168750.db2.gz IIVBOEGCXLAIDQ-ILXRZTDVSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569989873 1170056323 /nfs/dbraw/zinc/05/63/23/1170056323.db2.gz MCILTQONMCVODK-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570751898 1170270457 /nfs/dbraw/zinc/27/04/57/1170270457.db2.gz RKAOHTKHWMOULR-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001570751898 1170270462 /nfs/dbraw/zinc/27/04/62/1170270462.db2.gz RKAOHTKHWMOULR-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001570751898 1170270469 /nfs/dbraw/zinc/27/04/69/1170270469.db2.gz RKAOHTKHWMOULR-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001656241084 1171798205 /nfs/dbraw/zinc/79/82/05/1171798205.db2.gz MVXUJCLZYRGYNO-LDKKBFSKSA-N 2 1 293.455 1.920 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CC[C@H](C#N)C1)CCO2 ZINC000592184284 342679637 /nfs/dbraw/zinc/67/96/37/342679637.db2.gz IHTAEDMDVSEGLJ-UONOGXRCSA-N 2 1 263.385 1.475 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000592490279 342696030 /nfs/dbraw/zinc/69/60/30/342696030.db2.gz AENGSVXRAYHZPI-CQSZACIVSA-N 2 1 270.380 1.775 10 30 CDEEMP C[N@@H+](CCCC[NH2+]Cc1nc(C#N)cs1)C1CC1 ZINC000453594972 252328306 /nfs/dbraw/zinc/32/83/06/252328306.db2.gz IYWVZTIFLYSTMX-UHFFFAOYSA-N 2 1 264.398 1.979 10 30 CDEEMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594948304 342981396 /nfs/dbraw/zinc/98/13/96/342981396.db2.gz ZEUGNQYJTBSVJQ-QGZVFWFLSA-N 2 1 285.391 1.398 10 30 CDEEMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(C3(C#N)CC3)cc2)C1 ZINC000594948304 342981398 /nfs/dbraw/zinc/98/13/98/342981398.db2.gz ZEUGNQYJTBSVJQ-QGZVFWFLSA-N 2 1 285.391 1.398 10 30 CDEEMP C=CCC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507568 345679123 /nfs/dbraw/zinc/67/91/23/345679123.db2.gz AHMPSRCQHHDQHU-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CCC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507568 345679126 /nfs/dbraw/zinc/67/91/26/345679126.db2.gz AHMPSRCQHHDQHU-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000357524742 367046660 /nfs/dbraw/zinc/04/66/60/367046660.db2.gz CGJGBHRGRAHNGA-UHFFFAOYSA-N 2 1 277.412 1.380 10 30 CDEEMP C=CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000357524742 367046666 /nfs/dbraw/zinc/04/66/66/367046666.db2.gz CGJGBHRGRAHNGA-UHFFFAOYSA-N 2 1 277.412 1.380 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555067 1172405502 /nfs/dbraw/zinc/40/55/02/1172405502.db2.gz IMDNHXSGSZBPNA-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCCC#N)C2)CC1 ZINC000136068132 375752707 /nfs/dbraw/zinc/75/27/07/375752707.db2.gz NISWYZYJWJTBML-INIZCTEOSA-N 2 1 278.444 1.782 10 30 CDEEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCCC#N)C2)CC1 ZINC000136068132 375752715 /nfs/dbraw/zinc/75/27/15/375752715.db2.gz NISWYZYJWJTBML-INIZCTEOSA-N 2 1 278.444 1.782 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CCC[NH2+]1 ZINC000662746680 413423119 /nfs/dbraw/zinc/42/31/19/413423119.db2.gz QQWGKVWRMUWAHT-HIFRSBDPSA-N 2 1 265.401 1.143 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001665227386 1172965716 /nfs/dbraw/zinc/96/57/16/1172965716.db2.gz CURZBRVXVUFHRL-QWHCGFSZSA-N 2 1 265.401 1.093 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001665793559 1173062550 /nfs/dbraw/zinc/06/25/50/1173062550.db2.gz PKIZJWOVXMTDSW-KGLIPLIRSA-N 2 1 290.411 1.514 10 30 CDEEMP [NH3+]CC#Cc1cccc(C[N@H+]2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000043427224 175040870 /nfs/dbraw/zinc/04/08/70/175040870.db2.gz RVWPXOGEIRVFRC-DLBZAZTESA-N 2 1 270.376 1.750 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190475 176066326 /nfs/dbraw/zinc/06/63/26/176066326.db2.gz IJYMKCIINBNMNV-KRWDZBQOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190475 176066328 /nfs/dbraw/zinc/06/63/28/176066328.db2.gz IJYMKCIINBNMNV-KRWDZBQOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190475 176066329 /nfs/dbraw/zinc/06/63/29/176066329.db2.gz IJYMKCIINBNMNV-KRWDZBQOSA-N 3 1 271.408 1.380 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190475 176066330 /nfs/dbraw/zinc/06/63/30/176066330.db2.gz IJYMKCIINBNMNV-KRWDZBQOSA-N 2 1 271.408 1.380 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190475 176066331 /nfs/dbraw/zinc/06/63/31/176066331.db2.gz IJYMKCIINBNMNV-KRWDZBQOSA-N 2 1 271.408 1.380 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000262240345 330002492 /nfs/dbraw/zinc/00/24/92/330002492.db2.gz XXSNFDMLNJEDTP-LXTVHRRPSA-N 2 1 296.459 1.579 10 30 CDEEMP CNC(=[NH2+])N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000270131656 330074003 /nfs/dbraw/zinc/07/40/03/330074003.db2.gz PAZWSEFJPGEPJO-OCCSQVGLSA-N 2 1 260.385 1.574 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001496487038 1159926097 /nfs/dbraw/zinc/92/60/97/1159926097.db2.gz KHNHCMZHVPKJEH-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000677480880 482684085 /nfs/dbraw/zinc/68/40/85/482684085.db2.gz WRTXBWDPFZLINP-GJZGRUSLSA-N 2 1 252.402 1.731 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000677480880 482684089 /nfs/dbraw/zinc/68/40/89/482684089.db2.gz WRTXBWDPFZLINP-GJZGRUSLSA-N 2 1 252.402 1.731 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001715648267 1179752200 /nfs/dbraw/zinc/75/22/00/1179752200.db2.gz ZIVYBZFFUUHCDW-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715765751 1179796781 /nfs/dbraw/zinc/79/67/81/1179796781.db2.gz BINQYJSLGZSYAU-ZDUSSCGKSA-N 2 1 287.835 1.519 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001715842314 1179865460 /nfs/dbraw/zinc/86/54/60/1179865460.db2.gz WAFUHSWYNKERLZ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001715842314 1179865470 /nfs/dbraw/zinc/86/54/70/1179865470.db2.gz WAFUHSWYNKERLZ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001715842314 1179865484 /nfs/dbraw/zinc/86/54/84/1179865484.db2.gz WAFUHSWYNKERLZ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001732626350 1183053667 /nfs/dbraw/zinc/05/36/67/1183053667.db2.gz QZXGETSADWKUKD-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP CCc1[nH+]ccn1Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049610288 522586724 /nfs/dbraw/zinc/58/67/24/522586724.db2.gz GKSIPYMFOASRMR-UHFFFAOYSA-N 2 1 257.312 1.943 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CCc1nccn1C ZINC001688881456 1175049928 /nfs/dbraw/zinc/04/99/28/1175049928.db2.gz SKZNZAKLJDNMJS-AWEZNQCLSA-N 2 1 290.411 1.462 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690040030 1175354998 /nfs/dbraw/zinc/35/49/98/1175354998.db2.gz COTZCTYIRWRAIG-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621152 613745944 /nfs/dbraw/zinc/74/59/44/613745944.db2.gz PDJOKEAYNBIHQF-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621152 613745946 /nfs/dbraw/zinc/74/59/46/613745946.db2.gz PDJOKEAYNBIHQF-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621152 613745948 /nfs/dbraw/zinc/74/59/48/613745948.db2.gz PDJOKEAYNBIHQF-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccccc1C#N)C2 ZINC000903494965 626011771 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C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001266691190 1158766786 /nfs/dbraw/zinc/76/67/86/1158766786.db2.gz YHAHTWDTVQQHMC-WCVJEAGWSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001266691190 1158766791 /nfs/dbraw/zinc/76/67/91/1158766791.db2.gz YHAHTWDTVQQHMC-WCVJEAGWSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001700257393 1158943602 /nfs/dbraw/zinc/94/36/02/1158943602.db2.gz AAOBGHWKROIPLY-DZGCQCFKSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691167337 1158942157 /nfs/dbraw/zinc/94/21/57/1158942157.db2.gz TYGCXBBJHQGFPI-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001269236094 1160044614 /nfs/dbraw/zinc/04/46/14/1160044614.db2.gz VOFQUCXLBIUDFJ-RBSFLKMASA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C 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C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713085963 1178360432 /nfs/dbraw/zinc/36/04/32/1178360432.db2.gz QQTGFOCTCPNOOQ-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713436037 1178559871 /nfs/dbraw/zinc/55/98/71/1178559871.db2.gz CSPBZGVKGPAAJW-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713436037 1178559875 /nfs/dbraw/zinc/55/98/75/1178559875.db2.gz CSPBZGVKGPAAJW-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713436037 1178559878 /nfs/dbraw/zinc/55/98/78/1178559878.db2.gz CSPBZGVKGPAAJW-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713758996 1178741711 /nfs/dbraw/zinc/74/17/11/1178741711.db2.gz ITZDVNBTNFHHJH-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713758996 1178741716 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10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001725059430 1181838449 /nfs/dbraw/zinc/83/84/49/1181838449.db2.gz PPTAMZUWIITHCP-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001725059430 1181838453 /nfs/dbraw/zinc/83/84/53/1181838453.db2.gz PPTAMZUWIITHCP-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001725084777 1181851588 /nfs/dbraw/zinc/85/15/88/1181851588.db2.gz CONSDXWGIJHRPN-QWHCGFSZSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001725210976 1181924292 /nfs/dbraw/zinc/92/42/92/1181924292.db2.gz AFQBFQPZZZAMIF-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001731338194 1182328366 /nfs/dbraw/zinc/32/83/66/1182328366.db2.gz UKOUUMWNKLMHKO-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001731479167 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1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732184104 1182837713 /nfs/dbraw/zinc/83/77/13/1182837713.db2.gz DDGGQVQBHVADRZ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732184104 1182837718 /nfs/dbraw/zinc/83/77/18/1182837718.db2.gz DDGGQVQBHVADRZ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001733037032 1183253633 /nfs/dbraw/zinc/25/36/33/1183253633.db2.gz CGBNXZKIPBTATG-SOUVJXGZSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001733037032 1183253638 /nfs/dbraw/zinc/25/36/38/1183253638.db2.gz CGBNXZKIPBTATG-SOUVJXGZSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001733037032 1183253642 /nfs/dbraw/zinc/25/36/42/1183253642.db2.gz CGBNXZKIPBTATG-SOUVJXGZSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001733251140 1183369857 /nfs/dbraw/zinc/36/98/57/1183369857.db2.gz UQTMSTIHHWDNSH-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001733759955 1183522627 /nfs/dbraw/zinc/52/26/27/1183522627.db2.gz IPGTXOWGJHXTOP-HUUCEWRRSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001734001575 1183610564 /nfs/dbraw/zinc/61/05/64/1183610564.db2.gz OFQZRVLQYMMITN-QWHCGFSZSA-N 2 1 255.406 1.387 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)Cc2cnc[nH]2)C1 ZINC001734215125 1183693249 /nfs/dbraw/zinc/69/32/49/1183693249.db2.gz MATVPHGCYFHNKZ-IHRRRGAJSA-N 2 1 290.411 1.649 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001750927711 1184783159 /nfs/dbraw/zinc/78/31/59/1184783159.db2.gz SHRVHOQLNTWLAB-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001691708816 1164428494 /nfs/dbraw/zinc/42/84/94/1164428494.db2.gz IELYVBHDMZRLQA-OWCLPIDISA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872073234 1165377065 /nfs/dbraw/zinc/37/70/65/1165377065.db2.gz NEPUPYBMYWIHOB-LSDHHAIUSA-N 2 1 252.402 1.736 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000872073234 1165377068 /nfs/dbraw/zinc/37/70/68/1165377068.db2.gz NEPUPYBMYWIHOB-LSDHHAIUSA-N 2 1 252.402 1.736 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000876739879 796457595 /nfs/dbraw/zinc/45/75/95/796457595.db2.gz JUMMRFHACIYKQL-OLZOCXBDSA-N 2 1 287.835 1.693 10 30 CDEEMP C[C@@H](C#N)OCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785016 797635775 /nfs/dbraw/zinc/63/57/75/797635775.db2.gz NURIGHBEOHKRCU-WODVXLOZSA-N 2 1 280.372 1.286 10 30 CDEEMP C[C@@H](C#N)OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785016 797635784 /nfs/dbraw/zinc/63/57/84/797635784.db2.gz NURIGHBEOHKRCU-WODVXLOZSA-N 2 1 280.372 1.286 10 30 CDEEMP C[C@@H](C#N)OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785016 797635789 /nfs/dbraw/zinc/63/57/89/797635789.db2.gz NURIGHBEOHKRCU-WODVXLOZSA-N 2 1 280.372 1.286 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc(C#N)cn2)[C@H]2CCC[C@@H]21 ZINC000927161988 797963561 /nfs/dbraw/zinc/96/35/61/797963561.db2.gz AOFLMFAYBOVOEW-PMPSAXMXSA-N 2 1 299.422 1.828 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001566738972 1168406048 /nfs/dbraw/zinc/40/60/48/1168406048.db2.gz RDOVJMMRHYWMIG-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001566738972 1168406050 /nfs/dbraw/zinc/40/60/50/1168406050.db2.gz RDOVJMMRHYWMIG-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001566810744 1168430885 /nfs/dbraw/zinc/43/08/85/1168430885.db2.gz FMTZXMWVMATQQX-HDJSIYSDSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566871408 1168452590 /nfs/dbraw/zinc/45/25/90/1168452590.db2.gz BRQFRKNOVBIOTR-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871408 1168452597 /nfs/dbraw/zinc/45/25/97/1168452597.db2.gz BRQFRKNOVBIOTR-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871408 1168452602 /nfs/dbraw/zinc/45/26/02/1168452602.db2.gz BRQFRKNOVBIOTR-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001566928818 1168471750 /nfs/dbraw/zinc/47/17/50/1168471750.db2.gz NGJAAYWTQYGBBA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001566928818 1168471753 /nfs/dbraw/zinc/47/17/53/1168471753.db2.gz NGJAAYWTQYGBBA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001566928818 1168471757 /nfs/dbraw/zinc/47/17/57/1168471757.db2.gz NGJAAYWTQYGBBA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001483693973 912868695 /nfs/dbraw/zinc/86/86/95/912868695.db2.gz JDSQGTWFJILGLY-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480865675 894184926 /nfs/dbraw/zinc/18/49/26/894184926.db2.gz LMOTWRPARFYTDR-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865675 894184932 /nfs/dbraw/zinc/18/49/32/894184932.db2.gz LMOTWRPARFYTDR-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480865675 894184944 /nfs/dbraw/zinc/18/49/44/894184944.db2.gz LMOTWRPARFYTDR-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001266344488 894474577 /nfs/dbraw/zinc/47/45/77/894474577.db2.gz LDLAGJZMDSTZGJ-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266391065 894662952 /nfs/dbraw/zinc/66/29/52/894662952.db2.gz XWKOMNMPHNOCJM-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266391065 894662945 /nfs/dbraw/zinc/66/29/45/894662945.db2.gz XWKOMNMPHNOCJM-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266391065 894662948 /nfs/dbraw/zinc/66/29/48/894662948.db2.gz XWKOMNMPHNOCJM-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001266488651 895040233 /nfs/dbraw/zinc/04/02/33/895040233.db2.gz MXKMKIWCJKNGOE-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266544528 895299225 /nfs/dbraw/zinc/29/92/25/895299225.db2.gz CMKKRHSKIKYYJO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266544528 895299234 /nfs/dbraw/zinc/29/92/34/895299234.db2.gz CMKKRHSKIKYYJO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266544528 895299241 /nfs/dbraw/zinc/29/92/41/895299241.db2.gz CMKKRHSKIKYYJO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001266874288 896261351 /nfs/dbraw/zinc/26/13/51/896261351.db2.gz IZIYVPLTPUUUOL-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266974477 896474713 /nfs/dbraw/zinc/47/47/13/896474713.db2.gz FGHPWEDWMAWUGK-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001480913436 896582854 /nfs/dbraw/zinc/58/28/54/896582854.db2.gz OAAZZYQOESHORC-UHFFFAOYSA-N 2 1 292.383 1.118 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001480913436 896582866 /nfs/dbraw/zinc/58/28/66/896582866.db2.gz OAAZZYQOESHORC-UHFFFAOYSA-N 2 1 292.383 1.118 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267039160 896617237 /nfs/dbraw/zinc/61/72/37/896617237.db2.gz MXFBXPNYDWIHLD-HUUCEWRRSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267044420 896627575 /nfs/dbraw/zinc/62/75/75/896627575.db2.gz RBEWTEDIJGEOOK-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C[NH+]1CCCC1 ZINC001267256195 897355351 /nfs/dbraw/zinc/35/53/51/897355351.db2.gz MVFOEVQVEBGRFX-UHFFFAOYSA-N 2 1 253.390 1.096 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001567574100 1168864896 /nfs/dbraw/zinc/86/48/96/1168864896.db2.gz XGQSOXBZHAZUIH-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001267331202 897611942 /nfs/dbraw/zinc/61/19/42/897611942.db2.gz AWFXOBMTFSVNKX-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001267331202 897611948 /nfs/dbraw/zinc/61/19/48/897611948.db2.gz AWFXOBMTFSVNKX-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001267331202 897611953 /nfs/dbraw/zinc/61/19/53/897611953.db2.gz AWFXOBMTFSVNKX-GJZGRUSLSA-N 2 1 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931526678 /nfs/dbraw/zinc/52/66/78/931526678.db2.gz AXJXAOXYCDPAOB-LSDHHAIUSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001275678912 931950812 /nfs/dbraw/zinc/95/08/12/931950812.db2.gz ALRMZCJMNSYPFJ-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001275678912 931950814 /nfs/dbraw/zinc/95/08/14/931950814.db2.gz ALRMZCJMNSYPFJ-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001275858367 932098193 /nfs/dbraw/zinc/09/81/93/932098193.db2.gz JQDYNPCAHJPWFJ-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442973 933563204 /nfs/dbraw/zinc/56/32/04/933563204.db2.gz RFGKMNRQQWWWIP-ILXRZTDVSA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442973 933563207 /nfs/dbraw/zinc/56/32/07/933563207.db2.gz RFGKMNRQQWWWIP-ILXRZTDVSA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442973 933563210 /nfs/dbraw/zinc/56/32/10/933563210.db2.gz RFGKMNRQQWWWIP-ILXRZTDVSA-N 2 1 277.412 1.315 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001277210162 942178370 /nfs/dbraw/zinc/17/83/70/942178370.db2.gz JFVXVCYPICVQBS-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277282499 942285024 /nfs/dbraw/zinc/28/50/24/942285024.db2.gz BZIMUHGHXXEZAK-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001280533532 942458600 /nfs/dbraw/zinc/45/86/00/942458600.db2.gz ARMQHEIKCAEDHF-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001281714134 942613127 /nfs/dbraw/zinc/61/31/27/942613127.db2.gz PRYRCUMRPIHLEE-BFHYXJOUSA-N 2 1 267.417 1.387 10 30 CDEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001282045486 942650600 /nfs/dbraw/zinc/65/06/00/942650600.db2.gz HETSUBYVCVJVAZ-UIDBIOKJSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277725801 943420883 /nfs/dbraw/zinc/42/08/83/943420883.db2.gz BXCGAKCLYFCTNQ-GJZGRUSLSA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265092534 944227407 /nfs/dbraw/zinc/22/74/07/944227407.db2.gz RZQCEBYYJXLUPK-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265636658 944451359 /nfs/dbraw/zinc/45/13/59/944451359.db2.gz MMGCRUDMRGCTLD-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001479241580 971271857 /nfs/dbraw/zinc/27/18/57/971271857.db2.gz QVYVZXHBNJKGCM-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)[C@H]1C ZINC001479715155 971380427 /nfs/dbraw/zinc/38/04/27/971380427.db2.gz RUGRNLGJVOWMDB-QLFBSQMISA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001479715155 971380435 /nfs/dbraw/zinc/38/04/35/971380435.db2.gz RUGRNLGJVOWMDB-QLFBSQMISA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001479715155 971380441 /nfs/dbraw/zinc/38/04/41/971380441.db2.gz RUGRNLGJVOWMDB-QLFBSQMISA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001324453168 953396678 /nfs/dbraw/zinc/39/66/78/953396678.db2.gz IVQGVXMJNIDQIT-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001328858867 955518039 /nfs/dbraw/zinc/51/80/39/955518039.db2.gz FADBVILBXDQLCU-UYSNPLJNSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329500286 955952279 /nfs/dbraw/zinc/95/22/79/955952279.db2.gz GPZMTSPKXWYXCY-AWEZNQCLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001316859329 956646429 /nfs/dbraw/zinc/64/64/29/956646429.db2.gz NVEQZAHDRPOYKX-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494294024 972207044 /nfs/dbraw/zinc/20/70/44/972207044.db2.gz JWLLBWIURWKFFF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494294024 972207050 /nfs/dbraw/zinc/20/70/50/972207050.db2.gz JWLLBWIURWKFFF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001423583402 956879788 /nfs/dbraw/zinc/87/97/88/956879788.db2.gz JXDXUZKTMGHKEP-UKRRQHHQSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001423583402 956879795 /nfs/dbraw/zinc/87/97/95/956879795.db2.gz JXDXUZKTMGHKEP-UKRRQHHQSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001423583402 956879804 /nfs/dbraw/zinc/87/98/04/956879804.db2.gz JXDXUZKTMGHKEP-UKRRQHHQSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001423583402 956879816 /nfs/dbraw/zinc/87/98/16/956879816.db2.gz JXDXUZKTMGHKEP-UKRRQHHQSA-N 2 1 299.846 1.661 10 30 CDEEMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001316727671 956956896 /nfs/dbraw/zinc/95/68/96/956956896.db2.gz VLDSCLVIULIDMU-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317202075 957340347 /nfs/dbraw/zinc/34/03/47/957340347.db2.gz DUVWTUZVXQGEEM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001317202075 957340356 /nfs/dbraw/zinc/34/03/56/957340356.db2.gz DUVWTUZVXQGEEM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001317202075 957340364 /nfs/dbraw/zinc/34/03/64/957340364.db2.gz DUVWTUZVXQGEEM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317509065 957517775 /nfs/dbraw/zinc/51/77/75/957517775.db2.gz LTZQZBCRBFRKKD-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001317615237 957599536 /nfs/dbraw/zinc/59/95/36/957599536.db2.gz VQFRKRNKWKBOBF-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317795762 957666727 /nfs/dbraw/zinc/66/67/27/957666727.db2.gz OEEDFDBWLTUDKU-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318415048 958090151 /nfs/dbraw/zinc/09/01/51/958090151.db2.gz WBCGJWWLYISJAF-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494828278 972318669 /nfs/dbraw/zinc/31/86/69/972318669.db2.gz CMCQUBOTLKGPIY-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494828278 972318672 /nfs/dbraw/zinc/31/86/72/972318672.db2.gz CMCQUBOTLKGPIY-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494828278 972318674 /nfs/dbraw/zinc/31/86/74/972318674.db2.gz CMCQUBOTLKGPIY-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001494901695 972332499 /nfs/dbraw/zinc/33/24/99/972332499.db2.gz VVZZOMXOEOZQHY-HUUCEWRRSA-N 2 1 299.434 1.775 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001333354243 958277695 /nfs/dbraw/zinc/27/76/95/958277695.db2.gz GQTKJPYKNRNVQH-INIZCTEOSA-N 2 1 291.439 1.344 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001368888009 959228784 /nfs/dbraw/zinc/22/87/84/959228784.db2.gz AEFUQSSTTBGEFI-NEPJUHHUSA-N 2 1 275.824 1.562 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001320922665 959459766 /nfs/dbraw/zinc/45/97/66/959459766.db2.gz VKVJZAUDUPUSOF-LBPRGKRZSA-N 2 1 273.808 1.129 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001322373738 960197661 /nfs/dbraw/zinc/19/76/61/960197661.db2.gz ZXBSBWXCMKVWKU-LSDHHAIUSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001323613715 960864759 /nfs/dbraw/zinc/86/47/59/960864759.db2.gz JMOBPYSFTBVKBB-KBPBESRZSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001441362950 964475959 /nfs/dbraw/zinc/47/59/59/964475959.db2.gz HHEHMLVVRSUTDJ-MRVWCRGKSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354201232 968533621 /nfs/dbraw/zinc/53/36/21/968533621.db2.gz HCJJADYTRZGOJV-XQLPTFJDSA-N 2 1 297.443 1.284 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354201232 968533627 /nfs/dbraw/zinc/53/36/27/968533627.db2.gz HCJJADYTRZGOJV-XQLPTFJDSA-N 2 1 297.443 1.284 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001496845447 973120707 /nfs/dbraw/zinc/12/07/07/973120707.db2.gz RNJBVKNENKUZQX-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497222274 973251122 /nfs/dbraw/zinc/25/11/22/973251122.db2.gz VGVSGPDTFNLHKI-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001373823527 973657590 /nfs/dbraw/zinc/65/75/90/973657590.db2.gz YDVXBMUROXIROC-OLZOCXBDSA-N 2 1 287.835 1.565 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001498399892 973886859 /nfs/dbraw/zinc/88/68/59/973886859.db2.gz ROCUYPFGONZHKS-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498454869 973925496 /nfs/dbraw/zinc/92/54/96/973925496.db2.gz FQRSNPOSPIRHCY-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498454869 973925511 /nfs/dbraw/zinc/92/55/11/973925511.db2.gz FQRSNPOSPIRHCY-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001498771379 974057918 /nfs/dbraw/zinc/05/79/18/974057918.db2.gz YFZORDVSISBDIT-JKSUJKDBSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271442 974414964 /nfs/dbraw/zinc/41/49/64/974414964.db2.gz FYPHARORUBMGSZ-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001502390485 974732479 /nfs/dbraw/zinc/73/24/79/974732479.db2.gz GNQNNGXLLMAXTH-ZDUSSCGKSA-N 2 1 255.406 1.293 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001506065015 975105856 /nfs/dbraw/zinc/10/58/56/975105856.db2.gz HFKLZPAIEWOLKY-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377766479 975131882 /nfs/dbraw/zinc/13/18/82/975131882.db2.gz NMRULVVPRTXSDC-UONOGXRCSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001377766479 975131888 /nfs/dbraw/zinc/13/18/88/975131888.db2.gz NMRULVVPRTXSDC-UONOGXRCSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377766479 975131891 /nfs/dbraw/zinc/13/18/91/975131891.db2.gz NMRULVVPRTXSDC-UONOGXRCSA-N 2 1 299.846 1.471 10 30 CDEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001506576161 975182242 /nfs/dbraw/zinc/18/22/42/975182242.db2.gz QQUPXJWXPAZOQD-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001506576161 975182244 /nfs/dbraw/zinc/18/22/44/975182244.db2.gz QQUPXJWXPAZOQD-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001506576161 975182246 /nfs/dbraw/zinc/18/22/46/975182246.db2.gz QQUPXJWXPAZOQD-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001507419572 975462483 /nfs/dbraw/zinc/46/24/83/975462483.db2.gz VEMJVARPJLJCEQ-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001401866344 975958191 /nfs/dbraw/zinc/95/81/91/975958191.db2.gz JJJSIOMYJXZNNL-FZMZJTMJSA-N 2 1 299.846 1.565 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001390535972 976356226 /nfs/dbraw/zinc/35/62/26/976356226.db2.gz GNUDFMFBYRNZRW-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001674396556 1173937894 /nfs/dbraw/zinc/93/78/94/1173937894.db2.gz YMPMXBXINQTECI-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001570208895 1170111860 /nfs/dbraw/zinc/11/18/60/1170111860.db2.gz WMKVMOZQYMYJIU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001570208895 1170111865 /nfs/dbraw/zinc/11/18/65/1170111865.db2.gz WMKVMOZQYMYJIU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001570363542 1170143090 /nfs/dbraw/zinc/14/30/90/1170143090.db2.gz CRIKZZUCFXMQTD-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001654156133 1171595048 /nfs/dbraw/zinc/59/50/48/1171595048.db2.gz GQPIIAGSNZEZGJ-GDBMZVCRSA-N 2 1 287.407 1.407 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001654156136 1171595999 /nfs/dbraw/zinc/59/59/99/1171595999.db2.gz GQPIIAGSNZEZGJ-ZBFHGGJFSA-N 2 1 287.407 1.407 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001656991428 1171910693 /nfs/dbraw/zinc/91/06/93/1171910693.db2.gz MUGCYDVUIDVXIW-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(C#N)CC2)CC1 ZINC000590174978 342524082 /nfs/dbraw/zinc/52/40/82/342524082.db2.gz OLZDLZRYAVIYMU-UHFFFAOYSA-N 2 1 299.378 1.466 10 30 CDEEMP C[N@@H+](CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600738202 342246512 /nfs/dbraw/zinc/24/65/12/342246512.db2.gz ZCLVCKODJHSJCQ-AWEZNQCLSA-N 2 1 265.401 1.505 10 30 CDEEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCC#N)CCO1 ZINC000595907759 343188835 /nfs/dbraw/zinc/18/88/35/343188835.db2.gz XRBHETHVVHWUEP-AWEZNQCLSA-N 2 1 253.390 1.723 10 30 CDEEMP Cc1cc(C)c(C#N)c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596425890 343311956 /nfs/dbraw/zinc/31/19/56/343311956.db2.gz YEARTKMFAXCWHJ-UHFFFAOYSA-N 2 1 289.427 1.866 10 30 CDEEMP Cc1cc(C)c(C#N)c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596425890 343311958 /nfs/dbraw/zinc/31/19/58/343311958.db2.gz YEARTKMFAXCWHJ-UHFFFAOYSA-N 2 1 289.427 1.866 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634702233 357374088 /nfs/dbraw/zinc/37/40/88/357374088.db2.gz CKXZUEMDQDCQRW-IRXDYDNUSA-N 2 1 296.455 1.529 10 30 CDEEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc(C#N)cs1 ZINC000352836423 374367343 /nfs/dbraw/zinc/36/73/43/374367343.db2.gz TYVNDWNNIKVFJV-SNVBAGLBSA-N 2 1 275.381 1.946 10 30 CDEEMP C=C1CC(C)(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)C1 ZINC000631277258 392722822 /nfs/dbraw/zinc/72/28/22/392722822.db2.gz XSFHJCCBHNVLJF-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C1CC(C)(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000631277258 392722825 /nfs/dbraw/zinc/72/28/25/392722825.db2.gz XSFHJCCBHNVLJF-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001663928202 1172790188 /nfs/dbraw/zinc/79/01/88/1172790188.db2.gz RBOYWTKZTIIWHU-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001664894477 1172923863 /nfs/dbraw/zinc/92/38/63/1172923863.db2.gz XNKNPBHNJHJJPS-INIZCTEOSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001664894477 1172923868 /nfs/dbraw/zinc/92/38/68/1172923868.db2.gz XNKNPBHNJHJJPS-INIZCTEOSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001664894477 1172923870 /nfs/dbraw/zinc/92/38/70/1172923870.db2.gz XNKNPBHNJHJJPS-INIZCTEOSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703801 413349508 /nfs/dbraw/zinc/34/95/08/413349508.db2.gz UVDFYIFIOULUHJ-DOMZBBRYSA-N 2 1 263.385 1.038 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665676009 1173035598 /nfs/dbraw/zinc/03/55/98/1173035598.db2.gz HIGUBFJHPJXJKY-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])C1CCOCC1 ZINC000043683758 175091677 /nfs/dbraw/zinc/09/16/77/175091677.db2.gz DUEIGOBBWIVOAW-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP N#Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000044531159 175195856 /nfs/dbraw/zinc/19/58/56/175195856.db2.gz PLXVNAAGLYIHEY-CYBMUJFWSA-N 2 1 286.379 1.558 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001669622548 1173577781 /nfs/dbraw/zinc/57/77/81/1173577781.db2.gz NPYHPSXQOZKNLS-HNNXBMFYSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001669899659 1173625995 /nfs/dbraw/zinc/62/59/95/1173625995.db2.gz YOLHAMYLUXHSAX-CQSZACIVSA-N 2 1 292.427 1.984 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001669899659 1173626003 /nfs/dbraw/zinc/62/60/03/1173626003.db2.gz YOLHAMYLUXHSAX-CQSZACIVSA-N 2 1 292.427 1.984 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001670154097 1173659013 /nfs/dbraw/zinc/65/90/13/1173659013.db2.gz VNWBHFZNLXAGPD-UHFFFAOYSA-N 2 1 294.399 1.364 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876644 329161404 /nfs/dbraw/zinc/16/14/04/329161404.db2.gz JWSSIYPQXYLZLA-HNNXBMFYSA-N 2 1 251.418 1.664 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174876644 329161406 /nfs/dbraw/zinc/16/14/06/329161406.db2.gz JWSSIYPQXYLZLA-HNNXBMFYSA-N 2 1 251.418 1.664 10 30 CDEEMP C[NH+]=C(NC1CCC1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000262809508 330033240 /nfs/dbraw/zinc/03/32/40/330033240.db2.gz URSDEGBOYZUERW-CMPLNLGQSA-N 2 1 250.390 1.329 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267667238 1159562334 /nfs/dbraw/zinc/56/23/34/1159562334.db2.gz QJOHHYMIXVWKPF-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001677603118 1174376653 /nfs/dbraw/zinc/37/66/53/1174376653.db2.gz HQQHPXBOMLQLKR-HNNXBMFYSA-N 2 1 289.423 1.100 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001677603118 1174376657 /nfs/dbraw/zinc/37/66/57/1174376657.db2.gz HQQHPXBOMLQLKR-HNNXBMFYSA-N 2 1 289.423 1.100 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001677603118 1174376660 /nfs/dbraw/zinc/37/66/60/1174376660.db2.gz HQQHPXBOMLQLKR-HNNXBMFYSA-N 2 1 289.423 1.100 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001483272103 1160889280 /nfs/dbraw/zinc/88/92/80/1160889280.db2.gz KDPOERVNBZKWKN-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001716221034 1180108730 /nfs/dbraw/zinc/10/87/30/1180108730.db2.gz ZOQZKGPSFQUJCH-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001717589106 1180750742 /nfs/dbraw/zinc/75/07/42/1180750742.db2.gz LZQJVDDNNBGTPV-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001717589106 1180750745 /nfs/dbraw/zinc/75/07/45/1180750745.db2.gz LZQJVDDNNBGTPV-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001717589106 1180750752 /nfs/dbraw/zinc/75/07/52/1180750752.db2.gz LZQJVDDNNBGTPV-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001724859237 1181780345 /nfs/dbraw/zinc/78/03/45/1181780345.db2.gz AMZWVELGDOXAAF-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001724859237 1181780348 /nfs/dbraw/zinc/78/03/48/1181780348.db2.gz AMZWVELGDOXAAF-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001724859237 1181780358 /nfs/dbraw/zinc/78/03/58/1181780358.db2.gz AMZWVELGDOXAAF-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001732165292 1182823804 /nfs/dbraw/zinc/82/38/04/1182823804.db2.gz MIXMGHLUVRGNOS-ZDUSSCGKSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001734326587 1183733827 /nfs/dbraw/zinc/73/38/27/1183733827.db2.gz MQPFDYXSUYMAIW-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C[N@H+](CC(=O)N1CCCC1)Cc1ccccc1C#CC[NH3+] ZINC000049609592 522433051 /nfs/dbraw/zinc/43/30/51/522433051.db2.gz UYXBGJINYXPDCS-UHFFFAOYSA-N 2 1 285.391 1.051 10 30 CDEEMP C[N@@H+](CC(=O)N1CCCC1)Cc1ccccc1C#CC[NH3+] ZINC000049609592 522433059 /nfs/dbraw/zinc/43/30/59/522433059.db2.gz UYXBGJINYXPDCS-UHFFFAOYSA-N 2 1 285.391 1.051 10 30 CDEEMP C[N@@H+](Cc1cccc(C#CC[NH3+])c1)[C@H]1CCSC1 ZINC000049609008 523292044 /nfs/dbraw/zinc/29/20/44/523292044.db2.gz ABZGIITWFURIPJ-HNNXBMFYSA-N 2 1 260.406 1.934 10 30 CDEEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000049609833 523344488 /nfs/dbraw/zinc/34/44/88/523344488.db2.gz KQKQYESBRYZEJW-YOEHRIQHSA-N 2 1 272.392 1.996 10 30 CDEEMP C[C@@H]1COCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609125 525127818 /nfs/dbraw/zinc/12/78/18/525127818.db2.gz BHRWQWPETVKGAC-CQSZACIVSA-N 2 1 274.364 1.096 10 30 CDEEMP C[C@@H]1COCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609125 525127823 /nfs/dbraw/zinc/12/78/23/525127823.db2.gz BHRWQWPETVKGAC-CQSZACIVSA-N 2 1 274.364 1.096 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000049608684 527147457 /nfs/dbraw/zinc/14/74/57/527147457.db2.gz NIDRCUMKVYHNGQ-QGZVFWFLSA-N 2 1 290.382 1.873 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001691760137 1174688323 /nfs/dbraw/zinc/68/83/23/1174688323.db2.gz LHJJCKYWAMAYOQ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001691760137 1174688326 /nfs/dbraw/zinc/68/83/26/1174688326.db2.gz LHJJCKYWAMAYOQ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001691760137 1174688329 /nfs/dbraw/zinc/68/83/29/1174688329.db2.gz LHJJCKYWAMAYOQ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001689965474 1174706075 /nfs/dbraw/zinc/70/60/75/1174706075.db2.gz UMEKIIMNONILGG-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001689965474 1174706081 /nfs/dbraw/zinc/70/60/81/1174706081.db2.gz UMEKIIMNONILGG-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001689965474 1174706085 /nfs/dbraw/zinc/70/60/85/1174706085.db2.gz UMEKIIMNONILGG-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+](CC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001689944837 1175318209 /nfs/dbraw/zinc/31/82/09/1175318209.db2.gz UATOBRILYPMQOF-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001689944837 1175318214 /nfs/dbraw/zinc/31/82/14/1175318214.db2.gz UATOBRILYPMQOF-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000909436407 619262086 /nfs/dbraw/zinc/26/20/86/619262086.db2.gz MPWYXTXVTLLIPO-AWEZNQCLSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000900782581 623473953 /nfs/dbraw/zinc/47/39/53/623473953.db2.gz NSHMCQGZVPGZDF-UHFFFAOYSA-N 2 1 293.455 1.971 10 30 CDEEMP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ccc(C#N)cc2)CC1 ZINC000903476211 626005330 /nfs/dbraw/zinc/00/53/30/626005330.db2.gz QIDCDPGOVRAOPF-ZBFHGGJFSA-N 2 1 284.407 1.536 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001691000878 1158524867 /nfs/dbraw/zinc/52/48/67/1158524867.db2.gz VYMDEXYDDCMVIC-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001691000878 1158524869 /nfs/dbraw/zinc/52/48/69/1158524869.db2.gz VYMDEXYDDCMVIC-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CC ZINC001691066772 1158877941 /nfs/dbraw/zinc/87/79/41/1158877941.db2.gz VAPILAXNCBYMAW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691066772 1158877954 /nfs/dbraw/zinc/87/79/54/1158877954.db2.gz VAPILAXNCBYMAW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CC ZINC001691066772 1158877965 /nfs/dbraw/zinc/87/79/65/1158877965.db2.gz VAPILAXNCBYMAW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001691173301 1158944453 /nfs/dbraw/zinc/94/44/53/1158944453.db2.gz DWXPANHWVQAGCO-KRWDZBQOSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001691173301 1158944461 /nfs/dbraw/zinc/94/44/61/1158944461.db2.gz DWXPANHWVQAGCO-KRWDZBQOSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001691173301 1158944466 /nfs/dbraw/zinc/94/44/66/1158944466.db2.gz DWXPANHWVQAGCO-KRWDZBQOSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001691173301 1158944473 /nfs/dbraw/zinc/94/44/73/1158944473.db2.gz DWXPANHWVQAGCO-KRWDZBQOSA-N 2 1 299.418 1.190 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872200946 1165393253 /nfs/dbraw/zinc/39/32/53/1165393253.db2.gz OWXQPMHLIVBZHT-AWEZNQCLSA-N 2 1 270.417 1.138 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000877452288 1166039065 /nfs/dbraw/zinc/03/90/65/1166039065.db2.gz WJPLAAJDAJPTKA-QJPTWQEYSA-N 2 1 271.792 1.151 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001691747742 1167351293 /nfs/dbraw/zinc/35/12/93/1167351293.db2.gz COHGMBWUPXJGQA-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001691747742 1167351302 /nfs/dbraw/zinc/35/13/02/1167351302.db2.gz COHGMBWUPXJGQA-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP 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CDEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001698951688 1175993634 /nfs/dbraw/zinc/99/36/34/1175993634.db2.gz GHMHIFZUYJEJFW-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001699377960 1176338583 /nfs/dbraw/zinc/33/85/83/1176338583.db2.gz SUVKVQAVHPNZBJ-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001699419253 1176384699 /nfs/dbraw/zinc/38/46/99/1176384699.db2.gz GTKCSWVYDMVCSS-AAEUAGOBSA-N 2 1 276.384 1.034 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001699450203 1176413435 /nfs/dbraw/zinc/41/34/35/1176413435.db2.gz IWSFMPLKHIJOBU-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699450203 1176413444 /nfs/dbraw/zinc/41/34/44/1176413444.db2.gz IWSFMPLKHIJOBU-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001699450203 1176413450 /nfs/dbraw/zinc/41/34/50/1176413450.db2.gz IWSFMPLKHIJOBU-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699469533 1176432358 /nfs/dbraw/zinc/43/23/58/1176432358.db2.gz MEHXDQKCQIYPJG-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001699665323 1176559298 /nfs/dbraw/zinc/55/92/98/1176559298.db2.gz JZGOCRUYVWRRNX-UHFFFAOYSA-N 2 1 290.411 1.821 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001699972686 1176703343 /nfs/dbraw/zinc/70/33/43/1176703343.db2.gz MRLGJWHBMKSXPP-CABCVRRESA-N 2 1 281.444 1.588 10 30 CDEEMP C#CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001700099855 1176746449 /nfs/dbraw/zinc/74/64/49/1176746449.db2.gz RNBAMAZHJGUXGJ-PBHICJAKSA-N 2 1 299.418 1.538 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001700440070 1176929470 /nfs/dbraw/zinc/92/94/70/1176929470.db2.gz MDFFQJUFONOURE-ZIAGYGMSSA-N 2 1 281.444 1.587 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CCC=C)CC1 ZINC001700486948 1176976086 /nfs/dbraw/zinc/97/60/86/1176976086.db2.gz HMKUCGQXOFIHCR-OAHLLOKOSA-N 2 1 291.439 1.344 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001700988451 1177228547 /nfs/dbraw/zinc/22/85/47/1177228547.db2.gz QJVKKILGKSKOKQ-LSDHHAIUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001713491239 1178604278 /nfs/dbraw/zinc/60/42/78/1178604278.db2.gz FPFXUOVRZGCYOA-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713510503 1178617114 /nfs/dbraw/zinc/61/71/14/1178617114.db2.gz AXGDZTYHKZLGLT-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541871 1178634747 /nfs/dbraw/zinc/63/47/47/1178634747.db2.gz OJVGFLCJBONDPC-JKSUJKDBSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)C(C)C ZINC001713692740 1178712918 /nfs/dbraw/zinc/71/29/18/1178712918.db2.gz GBTLVRHWZHTYDE-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001714090710 1178968488 /nfs/dbraw/zinc/96/84/88/1178968488.db2.gz AEJOYROKMWTEIZ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714148893 1178991335 /nfs/dbraw/zinc/99/13/35/1178991335.db2.gz BHOQUEQJDKMANS-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001715059946 1179535110 /nfs/dbraw/zinc/53/51/10/1179535110.db2.gz LNEMPSUCZFHIAO-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001715115376 1179556535 /nfs/dbraw/zinc/55/65/35/1179556535.db2.gz SJBITOUTPWOWKV-QGZVFWFLSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001715272219 1179604746 /nfs/dbraw/zinc/60/47/46/1179604746.db2.gz OHHFPANWRHHRKO-ZDUSSCGKSA-N 2 1 278.400 1.500 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715928730 1179922587 /nfs/dbraw/zinc/92/25/87/1179922587.db2.gz WULLQUCUBNWKFQ-ZIAGYGMSSA-N 2 1 267.417 1.530 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716038282 1180012983 /nfs/dbraw/zinc/01/29/83/1180012983.db2.gz MGJBTTZKXZHGMN-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716038282 1180012989 /nfs/dbraw/zinc/01/29/89/1180012989.db2.gz MGJBTTZKXZHGMN-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001716038282 1180012994 /nfs/dbraw/zinc/01/29/94/1180012994.db2.gz MGJBTTZKXZHGMN-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001716522185 1180265864 /nfs/dbraw/zinc/26/58/64/1180265864.db2.gz MYQUKLUPECMCBQ-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001716693503 1180374909 /nfs/dbraw/zinc/37/49/09/1180374909.db2.gz KMTKVXOYKCZJOC-INIZCTEOSA-N 2 1 297.418 1.623 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CCCC1 ZINC001716820392 1180424321 /nfs/dbraw/zinc/42/43/21/1180424321.db2.gz RIDPVAVRUJHYMK-HNNXBMFYSA-N 2 1 288.395 1.089 10 30 CDEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001716897514 1180457182 /nfs/dbraw/zinc/45/71/82/1180457182.db2.gz CQKAGBSKOPOUPF-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001717202026 1180570257 /nfs/dbraw/zinc/57/02/57/1180570257.db2.gz MVHITIOJACVYQF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001717202026 1180570260 /nfs/dbraw/zinc/57/02/60/1180570260.db2.gz MVHITIOJACVYQF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001717202026 1180570263 /nfs/dbraw/zinc/57/02/63/1180570263.db2.gz MVHITIOJACVYQF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479505 1180697857 /nfs/dbraw/zinc/69/78/57/1180697857.db2.gz QJEDNEAYEJABQB-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717492644 1180707755 /nfs/dbraw/zinc/70/77/55/1180707755.db2.gz HNNIKFJFLJDJFV-CQSZACIVSA-N 2 1 287.407 1.432 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001717732720 1180814926 /nfs/dbraw/zinc/81/49/26/1180814926.db2.gz RMYXHTVDQDQOMA-MRXNPFEDSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001717747865 1180826606 /nfs/dbraw/zinc/82/66/06/1180826606.db2.gz VUDZXBJRKIVVTE-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001723528981 1181583713 /nfs/dbraw/zinc/58/37/13/1181583713.db2.gz IXEDHELLLFGJJY-UONOGXRCSA-N 2 1 277.412 1.428 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001723632681 1181592680 /nfs/dbraw/zinc/59/26/80/1181592680.db2.gz RUNWZYGVFIGPIN-CABCVRRESA-N 2 1 289.423 1.027 10 30 CDEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001724284163 1181660726 /nfs/dbraw/zinc/66/07/26/1181660726.db2.gz ZEWBKQSETCSNAL-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC1 ZINC001725172659 1181902507 /nfs/dbraw/zinc/90/25/07/1181902507.db2.gz QBHFHPAANZWQRC-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC1 ZINC001725172659 1181902511 /nfs/dbraw/zinc/90/25/11/1181902511.db2.gz QBHFHPAANZWQRC-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC1CCC1 ZINC001725172659 1181902516 /nfs/dbraw/zinc/90/25/16/1181902516.db2.gz QBHFHPAANZWQRC-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC1CCC1 ZINC001725172659 1181902524 /nfs/dbraw/zinc/90/25/24/1181902524.db2.gz QBHFHPAANZWQRC-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001725194467 1181918131 /nfs/dbraw/zinc/91/81/31/1181918131.db2.gz JUKJSPMWFDZKFA-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001725495094 1182023662 /nfs/dbraw/zinc/02/36/62/1182023662.db2.gz LPLWVMGDKWPPLX-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725636431 1182080759 /nfs/dbraw/zinc/08/07/59/1182080759.db2.gz QZXFJEFELZTAFJ-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731270973 1182287364 /nfs/dbraw/zinc/28/73/64/1182287364.db2.gz FMMIORSSHFCHNR-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731270973 1182287370 /nfs/dbraw/zinc/28/73/70/1182287370.db2.gz FMMIORSSHFCHNR-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001731270973 1182287376 /nfs/dbraw/zinc/28/73/76/1182287376.db2.gz FMMIORSSHFCHNR-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001731433912 1182382241 /nfs/dbraw/zinc/38/22/41/1182382241.db2.gz LRMKHYJAJOMORM-KKUMJFAQSA-N 2 1 295.402 1.023 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC[C@H](C)F)C1 ZINC001731433912 1182382246 /nfs/dbraw/zinc/38/22/46/1182382246.db2.gz LRMKHYJAJOMORM-KKUMJFAQSA-N 2 1 295.402 1.023 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001731556728 1182446874 /nfs/dbraw/zinc/44/68/74/1182446874.db2.gz BIGRKCQJCZVVON-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001731556728 1182446878 /nfs/dbraw/zinc/44/68/78/1182446878.db2.gz BIGRKCQJCZVVON-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001731805212 1182596049 /nfs/dbraw/zinc/59/60/49/1182596049.db2.gz PMHKIZFBPWSJJP-ZIAGYGMSSA-N 2 1 290.411 1.918 10 30 CDEEMP C=C(C)CC[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001731805212 1182596054 /nfs/dbraw/zinc/59/60/54/1182596054.db2.gz PMHKIZFBPWSJJP-ZIAGYGMSSA-N 2 1 290.411 1.918 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001731805212 1182596057 /nfs/dbraw/zinc/59/60/57/1182596057.db2.gz PMHKIZFBPWSJJP-ZIAGYGMSSA-N 2 1 290.411 1.918 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731961454 1182702233 /nfs/dbraw/zinc/70/22/33/1182702233.db2.gz PLHVFHMWGRXMBK-KBPBESRZSA-N 2 1 299.846 1.804 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001732070082 1182751494 /nfs/dbraw/zinc/75/14/94/1182751494.db2.gz BCYKZZBWWXTCGB-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001732073195 1182751521 /nfs/dbraw/zinc/75/15/21/1182751521.db2.gz XITCBMBVHXUTGI-CYBMUJFWSA-N 2 1 296.374 1.590 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001732591676 1183033970 /nfs/dbraw/zinc/03/39/70/1183033970.db2.gz ARSIHXBSMNURQH-UHFFFAOYSA-N 2 1 281.444 1.378 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001732591676 1183033979 /nfs/dbraw/zinc/03/39/79/1183033979.db2.gz ARSIHXBSMNURQH-UHFFFAOYSA-N 2 1 281.444 1.378 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732591676 1183033984 /nfs/dbraw/zinc/03/39/84/1183033984.db2.gz ARSIHXBSMNURQH-UHFFFAOYSA-N 2 1 281.444 1.378 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001733028267 1183247331 /nfs/dbraw/zinc/24/73/31/1183247331.db2.gz VBTCOLAUWXCJJN-ZFWWWQNUSA-N 2 1 273.380 1.017 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001733130355 1183301740 /nfs/dbraw/zinc/30/17/40/1183301740.db2.gz CHPOTMIIKWAJEA-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733226124 1183351464 /nfs/dbraw/zinc/35/14/64/1183351464.db2.gz PDUNXULTIHNTRG-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001733226124 1183351471 /nfs/dbraw/zinc/35/14/71/1183351471.db2.gz PDUNXULTIHNTRG-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001733226124 1183351476 /nfs/dbraw/zinc/35/14/76/1183351476.db2.gz PDUNXULTIHNTRG-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733938115 1183574877 /nfs/dbraw/zinc/57/48/77/1183574877.db2.gz NUKHVKCDGFVVSF-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733938115 1183574878 /nfs/dbraw/zinc/57/48/78/1183574878.db2.gz NUKHVKCDGFVVSF-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733938115 1183574879 /nfs/dbraw/zinc/57/48/79/1183574879.db2.gz NUKHVKCDGFVVSF-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001733943356 1183578336 /nfs/dbraw/zinc/57/83/36/1183578336.db2.gz JIKGKWSSWBONHW-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001733943356 1183578340 /nfs/dbraw/zinc/57/83/40/1183578340.db2.gz JIKGKWSSWBONHW-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001733943356 1183578342 /nfs/dbraw/zinc/57/83/42/1183578342.db2.gz JIKGKWSSWBONHW-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C[C@@H](C[NH2+]Cc1cc(C#N)ccc1N(C)C)C[NH+](C)C ZINC000865578208 1164666719 /nfs/dbraw/zinc/66/67/19/1164666719.db2.gz VYPOSGVRSXSJPP-ZDUSSCGKSA-N 2 1 274.412 1.912 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000876723269 1165900869 /nfs/dbraw/zinc/90/08/69/1165900869.db2.gz QZKQIBWXAWCNCE-WXHSDQCUSA-N 2 1 287.835 1.693 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000876726926 811858175 /nfs/dbraw/zinc/85/81/75/811858175.db2.gz BSMSUURITGOWSS-ZYHUDNBSSA-N 2 1 271.792 1.057 10 30 CDEEMP C#C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CCOCC1 ZINC000827554187 813341409 /nfs/dbraw/zinc/34/14/09/813341409.db2.gz ADFRENJUFWYAQK-INIZCTEOSA-N 2 1 262.397 1.631 10 30 CDEEMP C#CCNC(=O)CC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879952154 813572954 /nfs/dbraw/zinc/57/29/54/813572954.db2.gz TZIPCOOSBULFNY-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926491425 813796164 /nfs/dbraw/zinc/79/61/64/813796164.db2.gz WIGILNYBKYJUSY-LSDHHAIUSA-N 2 1 254.418 1.861 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C[C@](C)(O)CC ZINC000926491425 813796177 /nfs/dbraw/zinc/79/61/77/813796177.db2.gz WIGILNYBKYJUSY-LSDHHAIUSA-N 2 1 254.418 1.861 10 30 CDEEMP C#CC[C@@H](CCOC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335126 814005937 /nfs/dbraw/zinc/00/59/37/814005937.db2.gz VXMAXGQFTIBHHW-UONOGXRCSA-N 2 1 252.402 1.877 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926489116 814129262 /nfs/dbraw/zinc/12/92/62/814129262.db2.gz DMYFIPQBHFBVBY-HUUCEWRRSA-N 2 1 252.402 1.592 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000926489116 814129280 /nfs/dbraw/zinc/12/92/80/814129280.db2.gz DMYFIPQBHFBVBY-HUUCEWRRSA-N 2 1 252.402 1.592 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000876723266 816820729 /nfs/dbraw/zinc/82/07/29/816820729.db2.gz QZKQIBWXAWCNCE-DRZSPHRISA-N 2 1 287.835 1.693 10 30 CDEEMP C=CC[C@@H](C)[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000878247419 817810338 /nfs/dbraw/zinc/81/03/38/817810338.db2.gz XXNABJIMLGQYCS-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682838 1168032081 /nfs/dbraw/zinc/03/20/81/1168032081.db2.gz OASLPRXDDDTPAT-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001272292595 912714791 /nfs/dbraw/zinc/71/47/91/912714791.db2.gz WRCYOSAFTCSENE-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001266489218 895040591 /nfs/dbraw/zinc/04/05/91/895040591.db2.gz YVDCGWJDRRPUKK-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001266499132 895074488 /nfs/dbraw/zinc/07/44/88/895074488.db2.gz PVDSEBZCHUYXJM-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001266499132 895074497 /nfs/dbraw/zinc/07/44/97/895074497.db2.gz PVDSEBZCHUYXJM-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266517820 895195739 /nfs/dbraw/zinc/19/57/39/895195739.db2.gz NYNPXANOPAUWPH-GJZGRUSLSA-N 2 1 281.444 1.587 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001266560390 895362370 /nfs/dbraw/zinc/36/23/70/895362370.db2.gz KOLLSFYCAWKNEX-OAHLLOKOSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(C)C ZINC001266949216 896414337 /nfs/dbraw/zinc/41/43/37/896414337.db2.gz IEMPUKFQDHQBFJ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(C)C ZINC001266949216 896414348 /nfs/dbraw/zinc/41/43/48/896414348.db2.gz IEMPUKFQDHQBFJ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266974475 896474584 /nfs/dbraw/zinc/47/45/84/896474584.db2.gz FGHPWEDWMAWUGK-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC001267209763 897156567 /nfs/dbraw/zinc/15/65/67/897156567.db2.gz KWCQIGNITNERAI-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC001267209763 897156573 /nfs/dbraw/zinc/15/65/73/897156573.db2.gz KWCQIGNITNERAI-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001267209763 897156579 /nfs/dbraw/zinc/15/65/79/897156579.db2.gz KWCQIGNITNERAI-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267302978 897530818 /nfs/dbraw/zinc/53/08/18/897530818.db2.gz JGXBRFKQVCTEMB-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267302978 897530836 /nfs/dbraw/zinc/53/08/36/897530836.db2.gz JGXBRFKQVCTEMB-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001267596274 898651836 /nfs/dbraw/zinc/65/18/36/898651836.db2.gz LTFDKKSCXSQLMF-MRXNPFEDSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001481066877 898725711 /nfs/dbraw/zinc/72/57/11/898725711.db2.gz ICVJNEHXIBEGLX-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001481066877 898725678 /nfs/dbraw/zinc/72/56/78/898725678.db2.gz ICVJNEHXIBEGLX-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001481066877 898725694 /nfs/dbraw/zinc/72/56/94/898725694.db2.gz 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C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001263820928 943988421 /nfs/dbraw/zinc/98/84/21/943988421.db2.gz JSUJZWSONRDSMI-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001263820928 943988425 /nfs/dbraw/zinc/98/84/25/943988425.db2.gz JSUJZWSONRDSMI-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001263820928 943988429 /nfs/dbraw/zinc/98/84/29/943988429.db2.gz JSUJZWSONRDSMI-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001277915164 944003182 /nfs/dbraw/zinc/00/31/82/944003182.db2.gz WIHPOWSCGLDWSL-RDBSUJKOSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001265786438 944508321 /nfs/dbraw/zinc/50/83/21/944508321.db2.gz NIJFVSWMGQQBRM-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001265822982 944526393 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C#CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001278437264 948031625 /nfs/dbraw/zinc/03/16/25/948031625.db2.gz BJIYVHONTCASJA-MRXNPFEDSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001278437264 948031632 /nfs/dbraw/zinc/03/16/32/948031632.db2.gz BJIYVHONTCASJA-MRXNPFEDSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001479913368 971485631 /nfs/dbraw/zinc/48/56/31/971485631.db2.gz YUOMIDKISHBVIH-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001279039734 948632803 /nfs/dbraw/zinc/63/28/03/948632803.db2.gz YQKIJHKEUFQJPK-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001278521360 949704634 /nfs/dbraw/zinc/70/46/34/949704634.db2.gz NGRBBOKVAASGQZ-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480324074 971672566 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C=CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491834227 955458931 /nfs/dbraw/zinc/45/89/31/955458931.db2.gz CGFFVBBAZVUWPH-CQSZACIVSA-N 2 1 281.444 1.588 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001492450391 955894166 /nfs/dbraw/zinc/89/41/66/955894166.db2.gz PKAHSOAZWLBWAZ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001492450391 955894177 /nfs/dbraw/zinc/89/41/77/955894177.db2.gz PKAHSOAZWLBWAZ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001317304998 956045549 /nfs/dbraw/zinc/04/55/49/956045549.db2.gz WJNGXWZVDBTRFF-KKUMJFAQSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)C[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001331226241 956899622 /nfs/dbraw/zinc/89/96/22/956899622.db2.gz QOCXKVJMKGXACX-OAHLLOKOSA-N 2 1 292.427 1.888 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001317153459 956989147 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C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001322262566 960157283 /nfs/dbraw/zinc/15/72/83/960157283.db2.gz QFPSRRAOZDVBJP-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001322262566 960157288 /nfs/dbraw/zinc/15/72/88/960157288.db2.gz QFPSRRAOZDVBJP-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001322373735 960197564 /nfs/dbraw/zinc/19/75/64/960197564.db2.gz ZXBSBWXCMKVWKU-CABCVRRESA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354201231 968533570 /nfs/dbraw/zinc/53/35/70/968533570.db2.gz HCJJADYTRZGOJV-KBXIAJHMSA-N 2 1 297.443 1.284 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001354201231 968533576 /nfs/dbraw/zinc/53/35/76/968533576.db2.gz HCJJADYTRZGOJV-KBXIAJHMSA-N 2 1 297.443 1.284 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)CCc1ncc[nH]1 ZINC001467727315 970093650 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C=CC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721406 357458464 /nfs/dbraw/zinc/45/84/64/357458464.db2.gz YFNQKIKCVBLJCH-SJORKVTESA-N 2 1 290.407 1.150 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721406 357458469 /nfs/dbraw/zinc/45/84/69/357458469.db2.gz YFNQKIKCVBLJCH-SJORKVTESA-N 2 1 290.407 1.150 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000678049681 538886018 /nfs/dbraw/zinc/88/60/18/538886018.db2.gz ORRKTMBHLAPRQZ-KRWDZBQOSA-N 2 1 298.471 1.994 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872742 1172605613 /nfs/dbraw/zinc/60/56/13/1172605613.db2.gz RXPJYBHVMUOREP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662872742 1172605621 /nfs/dbraw/zinc/60/56/21/1172605621.db2.gz RXPJYBHVMUOREP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001662872742 1172605625 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C=CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001664667546 1172883328 /nfs/dbraw/zinc/88/33/28/1172883328.db2.gz MNZIRFHWHWFPCL-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001665088458 1172937135 /nfs/dbraw/zinc/93/71/35/1172937135.db2.gz AESJJDJQBZVZIJ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665088458 1172937139 /nfs/dbraw/zinc/93/71/39/1172937139.db2.gz AESJJDJQBZVZIJ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001665088458 1172937143 /nfs/dbraw/zinc/93/71/43/1172937143.db2.gz AESJJDJQBZVZIJ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001665687081 1173040177 /nfs/dbraw/zinc/04/01/77/1173040177.db2.gz WOIXIMIPBWVKSV-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=C(CC)CNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665062711 413828552 /nfs/dbraw/zinc/82/85/52/413828552.db2.gz HPCVMOBOJCTJCO-AWEZNQCLSA-N 2 1 284.448 1.524 10 30 CDEEMP C=C(CC)CNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665062711 413828558 /nfs/dbraw/zinc/82/85/58/413828558.db2.gz HPCVMOBOJCTJCO-AWEZNQCLSA-N 2 1 284.448 1.524 10 30 CDEEMP C=CC[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299615 414625166 /nfs/dbraw/zinc/62/51/66/414625166.db2.gz SHZAKRCOTBITGH-UONOGXRCSA-N 2 1 250.386 1.796 10 30 CDEEMP COCC[N@@H+](Cc1sccc1C#CC[NH3+])[C@@H](C)COC ZINC000043684203 175092728 /nfs/dbraw/zinc/09/27/28/175092728.db2.gz BOSNXTDTJWOPGV-ZDUSSCGKSA-N 2 1 296.436 1.542 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001666173088 1173116495 /nfs/dbraw/zinc/11/64/95/1173116495.db2.gz QMRAWOPWCCACMN-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001666390214 1173131161 /nfs/dbraw/zinc/13/11/61/1173131161.db2.gz ZRHMNYNRNQSBIZ-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCSCC#N)CC1 ZINC000173885574 261172515 /nfs/dbraw/zinc/17/25/15/261172515.db2.gz DUAJSKJCFZYOBB-AWEZNQCLSA-N 2 1 299.484 1.658 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001666991256 1173218011 /nfs/dbraw/zinc/21/80/11/1173218011.db2.gz AKTOWSDCSKZCEH-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001667198275 1173244961 /nfs/dbraw/zinc/24/49/61/1173244961.db2.gz OSGFNOWLXJPJJJ-HUUCEWRRSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001669572253 1173571692 /nfs/dbraw/zinc/57/16/92/1173571692.db2.gz SWAIZMIBIICTLP-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001672328435 1173766516 /nfs/dbraw/zinc/76/65/16/1173766516.db2.gz NZJDSQYXYOFITQ-LSDHHAIUSA-N 2 1 279.428 1.036 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001672911721 1173809125 /nfs/dbraw/zinc/80/91/25/1173809125.db2.gz YXCMTDCSTVGYBO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001673449576 1173858022 /nfs/dbraw/zinc/85/80/22/1173858022.db2.gz GVZXOLANZXRJCY-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N[C@H]1CC1(C)C ZINC000262512767 330019099 /nfs/dbraw/zinc/01/90/99/330019099.db2.gz BUMCILYLXGOOKY-STQMWFEESA-N 2 1 266.433 1.824 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@@H]1C[C@H]1C ZINC000262776470 330030859 /nfs/dbraw/zinc/03/08/59/330030859.db2.gz KBKRREGYTRHDRD-HZSPNIEDSA-N 2 1 266.433 1.824 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526668 1159765367 /nfs/dbraw/zinc/76/53/67/1159765367.db2.gz XKOWKVMRCJGIEE-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001481526668 1159765373 /nfs/dbraw/zinc/76/53/73/1159765373.db2.gz XKOWKVMRCJGIEE-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 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1.263 10 30 CDEEMP CC1(C)COCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609893 520504618 /nfs/dbraw/zinc/50/46/18/520504618.db2.gz MHBOVFGJTPWNRD-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP CC1(C)COCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609893 520504622 /nfs/dbraw/zinc/50/46/22/520504622.db2.gz MHBOVFGJTPWNRD-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP CC[N@H+]1CCC[C@@H](NC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000049232053 521624016 /nfs/dbraw/zinc/62/40/16/521624016.db2.gz AKUPBPYOBBHOIB-OAHLLOKOSA-N 2 1 285.391 1.211 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609673 523360015 /nfs/dbraw/zinc/36/00/15/523360015.db2.gz VQARENQAIGPMRZ-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001686993979 1174816050 /nfs/dbraw/zinc/81/60/50/1174816050.db2.gz PBJBDZMUDFXHRA-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C=C(C)CC[NH+]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001686993979 1174816056 /nfs/dbraw/zinc/81/60/56/1174816056.db2.gz 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C=CC[N@@H+](CCCNC(=O)Cc1cnc[nH]1)C1CC1 ZINC001713045711 1178329685 /nfs/dbraw/zinc/32/96/85/1178329685.db2.gz GOAOTHBVKQPYCN-UHFFFAOYSA-N 2 1 262.357 1.109 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001713060851 1178339090 /nfs/dbraw/zinc/33/90/90/1178339090.db2.gz IDLVQBZVJZXOFL-KBPBESRZSA-N 2 1 285.407 1.433 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001713252920 1178454794 /nfs/dbraw/zinc/45/47/94/1178454794.db2.gz JFPXSRNYPZAROZ-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001713252920 1178454799 /nfs/dbraw/zinc/45/47/99/1178454799.db2.gz JFPXSRNYPZAROZ-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001713252920 1178454802 /nfs/dbraw/zinc/45/48/02/1178454802.db2.gz JFPXSRNYPZAROZ-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001713279752 1178463753 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10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714053282 1178948630 /nfs/dbraw/zinc/94/86/30/1178948630.db2.gz JLKPYARLVSNHCM-OAHLLOKOSA-N 2 1 277.412 1.028 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001714093151 1178968721 /nfs/dbraw/zinc/96/87/21/1178968721.db2.gz CAMMVHITDBULGI-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001714151483 1178993475 /nfs/dbraw/zinc/99/34/75/1178993475.db2.gz QAHNWMXALYUHPL-UHFFFAOYSA-N 2 1 276.384 1.396 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001714731203 1179363806 /nfs/dbraw/zinc/36/38/06/1179363806.db2.gz SDHKYPQLFUKKOU-OCCSQVGLSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001715079530 1179542659 /nfs/dbraw/zinc/54/26/59/1179542659.db2.gz KESUUSUKIMDLAE-ZDUSSCGKSA-N 2 1 264.373 1.252 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001715101398 1179550867 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C=CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716850181 1180438779 /nfs/dbraw/zinc/43/87/79/1180438779.db2.gz BQAGKIYBLUZRHD-HNNXBMFYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716850181 1180438785 /nfs/dbraw/zinc/43/87/85/1180438785.db2.gz BQAGKIYBLUZRHD-HNNXBMFYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001716902667 1180458246 /nfs/dbraw/zinc/45/82/46/1180458246.db2.gz LIRPDQGFSVFRRX-MRXNPFEDSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001716902667 1180458256 /nfs/dbraw/zinc/45/82/56/1180458256.db2.gz LIRPDQGFSVFRRX-MRXNPFEDSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001716902667 1180458258 /nfs/dbraw/zinc/45/82/58/1180458258.db2.gz LIRPDQGFSVFRRX-MRXNPFEDSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585577 1180749938 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C=CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001724861328 1181780712 /nfs/dbraw/zinc/78/07/12/1181780712.db2.gz SPPCIWHYSGEMAP-GASCZTMLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001725134583 1181878668 /nfs/dbraw/zinc/87/86/68/1181878668.db2.gz WNYCMBNTIYIYKY-NWDGAFQWSA-N 2 1 264.373 1.250 10 30 CDEEMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001725284270 1181951007 /nfs/dbraw/zinc/95/10/07/1181951007.db2.gz BMTGUKMXXFEMGH-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001725284270 1181951015 /nfs/dbraw/zinc/95/10/15/1181951015.db2.gz BMTGUKMXXFEMGH-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001725284270 1181951024 /nfs/dbraw/zinc/95/10/24/1181951024.db2.gz BMTGUKMXXFEMGH-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001725442131 1182002098 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C=CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001731455792 1182397472 /nfs/dbraw/zinc/39/74/72/1182397472.db2.gz LVEGCODSGRHCFS-JOCQHMNTSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001731878183 1182646424 /nfs/dbraw/zinc/64/64/24/1182646424.db2.gz UQXGBVFENGCAGG-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001731878183 1182646427 /nfs/dbraw/zinc/64/64/27/1182646427.db2.gz UQXGBVFENGCAGG-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001731878183 1182646431 /nfs/dbraw/zinc/64/64/31/1182646431.db2.gz UQXGBVFENGCAGG-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001731878183 1182646436 /nfs/dbraw/zinc/64/64/36/1182646436.db2.gz UQXGBVFENGCAGG-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001732206154 1182857152 /nfs/dbraw/zinc/85/71/52/1182857152.db2.gz AZMLXLODJMQKDB-KGLIPLIRSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732328315 1182907457 /nfs/dbraw/zinc/90/74/57/1182907457.db2.gz FEVLPMFPZZOGNQ-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001732370660 1182931779 /nfs/dbraw/zinc/93/17/79/1182931779.db2.gz VGFFTVXKZIAGGZ-GFCCVEGCSA-N 2 1 264.373 1.110 10 30 CDEEMP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001732542390 1183000840 /nfs/dbraw/zinc/00/08/40/1183000840.db2.gz YUWKYVGQKLKEFX-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732775428 1183120831 /nfs/dbraw/zinc/12/08/31/1183120831.db2.gz SEZVRFBAKFUYOT-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732849761 1183157990 /nfs/dbraw/zinc/15/79/90/1183157990.db2.gz OQJAKVOEXGLKOB-JBZXTQMFSA-N 2 1 279.428 1.555 10 30 CDEEMP C=C(C)C[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001733298267 1183383349 /nfs/dbraw/zinc/38/33/49/1183383349.db2.gz URGAQYWCKGDUKX-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733298267 1183383357 /nfs/dbraw/zinc/38/33/57/1183383357.db2.gz URGAQYWCKGDUKX-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001733298267 1183383363 /nfs/dbraw/zinc/38/33/63/1183383363.db2.gz URGAQYWCKGDUKX-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001733603365 1183477219 /nfs/dbraw/zinc/47/72/19/1183477219.db2.gz NTIWDMRMWPYVKR-HOTGVXAUSA-N 2 1 291.439 1.415 10 30 CDEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001733603365 1183477220 /nfs/dbraw/zinc/47/72/20/1183477220.db2.gz NTIWDMRMWPYVKR-HOTGVXAUSA-N 2 1 291.439 1.415 10 30 CDEEMP CC#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001733603365 1183477224 /nfs/dbraw/zinc/47/72/24/1183477224.db2.gz NTIWDMRMWPYVKR-HOTGVXAUSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001733649971 1183489487 /nfs/dbraw/zinc/48/94/87/1183489487.db2.gz VYVKMCBLJVHZMY-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001733778645 1183530268 /nfs/dbraw/zinc/53/02/68/1183530268.db2.gz MCUDJZPXDPKJKH-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733778645 1183530271 /nfs/dbraw/zinc/53/02/71/1183530271.db2.gz MCUDJZPXDPKJKH-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001733778645 1183530274 /nfs/dbraw/zinc/53/02/74/1183530274.db2.gz MCUDJZPXDPKJKH-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733878336 1183557662 /nfs/dbraw/zinc/55/76/62/1183557662.db2.gz HRIFBAOVFCTEFI-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001733878336 1183557667 /nfs/dbraw/zinc/55/76/67/1183557667.db2.gz HRIFBAOVFCTEFI-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001733878336 1183557669 /nfs/dbraw/zinc/55/76/69/1183557669.db2.gz HRIFBAOVFCTEFI-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001733934464 1183574061 /nfs/dbraw/zinc/57/40/61/1183574061.db2.gz YNGJPEVLRPIAPV-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001734064691 1183644766 /nfs/dbraw/zinc/64/47/66/1183644766.db2.gz DOTZNAHSRORWBX-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001734130623 1183670244 /nfs/dbraw/zinc/67/02/44/1183670244.db2.gz JLTQWIRAZWCUTN-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH+]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC001734147151 1183675672 /nfs/dbraw/zinc/67/56/72/1183675672.db2.gz ZOLSOTHAKXGDCI-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001734147151 1183675673 /nfs/dbraw/zinc/67/56/73/1183675673.db2.gz ZOLSOTHAKXGDCI-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001734147151 1183675674 /nfs/dbraw/zinc/67/56/74/1183675674.db2.gz ZOLSOTHAKXGDCI-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001734154286 1183676620 /nfs/dbraw/zinc/67/66/20/1183676620.db2.gz LNFDCAPRWFIXIZ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001734154286 1183676628 /nfs/dbraw/zinc/67/66/28/1183676628.db2.gz LNFDCAPRWFIXIZ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001734154286 1183676631 /nfs/dbraw/zinc/67/66/31/1183676631.db2.gz LNFDCAPRWFIXIZ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001734347545 1183742099 /nfs/dbraw/zinc/74/20/99/1183742099.db2.gz YOVOZBBNEXKVIH-ZDUSSCGKSA-N 2 1 276.384 1.041 10 30 CDEEMP CC1CCN(C(=[NH2+])NCC[N@@H+](C)C2CCCC2)CC1 ZINC000304761901 818156222 /nfs/dbraw/zinc/15/62/22/818156222.db2.gz VCFLDQJSWBSALN-UHFFFAOYSA-N 2 1 266.433 1.907 10 30 CDEEMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923386741 818786019 /nfs/dbraw/zinc/78/60/19/818786019.db2.gz RDLWOCOXPABSEJ-ZIAGYGMSSA-N 2 1 250.386 1.653 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000876781059 819350174 /nfs/dbraw/zinc/35/01/74/819350174.db2.gz ITDUYFBMHPEBOP-FOGDFJRCSA-N 2 1 271.792 1.198 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000923388511 819814483 /nfs/dbraw/zinc/81/44/83/819814483.db2.gz RHRUOVVHMQKLCS-JONQDZQNSA-N 2 1 282.428 1.674 10 30 CDEEMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315437 821892932 /nfs/dbraw/zinc/89/29/32/821892932.db2.gz MHWIDZSIQQFVQY-GDBMZVCRSA-N 2 1 277.412 1.459 10 30 CDEEMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315437 821892933 /nfs/dbraw/zinc/89/29/33/821892933.db2.gz MHWIDZSIQQFVQY-GDBMZVCRSA-N 2 1 277.412 1.459 10 30 CDEEMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315437 821892935 /nfs/dbraw/zinc/89/29/35/821892935.db2.gz MHWIDZSIQQFVQY-GDBMZVCRSA-N 2 1 277.412 1.459 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876723215 822043364 /nfs/dbraw/zinc/04/33/64/822043364.db2.gz PZDWRYWXLQYCGW-PWSUYJOCSA-N 2 1 273.808 1.304 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)CCCC ZINC000876746330 822216743 /nfs/dbraw/zinc/21/67/43/822216743.db2.gz KBBSZNVFFCSGLM-LLVKDONJSA-N 2 1 261.797 1.304 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001566124939 1168242193 /nfs/dbraw/zinc/24/21/93/1168242193.db2.gz NJXGMFOTPFPVLU-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001566124939 1168242199 /nfs/dbraw/zinc/24/21/99/1168242199.db2.gz NJXGMFOTPFPVLU-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001567155125 1168600538 /nfs/dbraw/zinc/60/05/38/1168600538.db2.gz MEYBAJHJAXAUEM-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001567178144 1168606662 /nfs/dbraw/zinc/60/66/62/1168606662.db2.gz ZLOCIWIXQKURDH-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001567246245 1168637687 /nfs/dbraw/zinc/63/76/87/1168637687.db2.gz DNRGJGPMXATWAX-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567246245 1168637690 /nfs/dbraw/zinc/63/76/90/1168637690.db2.gz DNRGJGPMXATWAX-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001567246245 1168637694 /nfs/dbraw/zinc/63/76/94/1168637694.db2.gz DNRGJGPMXATWAX-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001266360304 894563154 /nfs/dbraw/zinc/56/31/54/894563154.db2.gz VWAGTICYDPBKTD-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001266360304 894563162 /nfs/dbraw/zinc/56/31/62/894563162.db2.gz VWAGTICYDPBKTD-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266546830 895304618 /nfs/dbraw/zinc/30/46/18/895304618.db2.gz XUXWQCBNXIRBSQ-CABCVRRESA-N 2 1 279.428 1.034 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107827 896813972 /nfs/dbraw/zinc/81/39/72/896813972.db2.gz KABMKNLWCXTFPU-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267107827 896813981 /nfs/dbraw/zinc/81/39/81/896813981.db2.gz KABMKNLWCXTFPU-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001267257666 897361693 /nfs/dbraw/zinc/36/16/93/897361693.db2.gz POMPFEPTKMVFJE-MRXNPFEDSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001567574097 1168866901 /nfs/dbraw/zinc/86/69/01/1168866901.db2.gz XGQSOXBZHAZUIH-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267568298 898392613 /nfs/dbraw/zinc/39/26/13/898392613.db2.gz IJCOOBCAOILQRI-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001567615158 1168889470 /nfs/dbraw/zinc/88/94/70/1168889470.db2.gz KQPRGXVGFNNXBO-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001567615158 1168889483 /nfs/dbraw/zinc/88/94/83/1168889483.db2.gz KQPRGXVGFNNXBO-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267596332 898651602 /nfs/dbraw/zinc/65/16/02/898651602.db2.gz YHYOIBVACMNYNS-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001481489004 900905817 /nfs/dbraw/zinc/90/58/17/900905817.db2.gz YKRWTRARZVUWAY-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001268176662 901529730 /nfs/dbraw/zinc/52/97/30/901529730.db2.gz DIXHNQYCCRMXPH-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001567752017 1168951842 /nfs/dbraw/zinc/95/18/42/1168951842.db2.gz BBARFFWIRYGVPI-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001567752017 1168951850 /nfs/dbraw/zinc/95/18/50/1168951850.db2.gz BBARFFWIRYGVPI-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001567752017 1168951856 /nfs/dbraw/zinc/95/18/56/1168951856.db2.gz BBARFFWIRYGVPI-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481702174 901837213 /nfs/dbraw/zinc/83/72/13/901837213.db2.gz CNQLIBBFBXMFJR-KGLIPLIRSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CCCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268348075 901910469 /nfs/dbraw/zinc/91/04/69/901910469.db2.gz GBDOOICYXDRRFX-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001482108788 902655120 /nfs/dbraw/zinc/65/51/20/902655120.db2.gz WXQCOFVMUFGSCB-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001493551820 915287291 /nfs/dbraw/zinc/28/72/91/915287291.db2.gz UQLAXAFEHUZDBP-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268739516 903060180 /nfs/dbraw/zinc/06/01/80/903060180.db2.gz BKKGNFOQDIUAGN-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268739516 903060193 /nfs/dbraw/zinc/06/01/93/903060193.db2.gz BKKGNFOQDIUAGN-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001268761747 903102752 /nfs/dbraw/zinc/10/27/52/903102752.db2.gz CMOFFUOGPHTBDU-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+](C)CCC)CCCC1 ZINC001269587799 903954061 /nfs/dbraw/zinc/95/40/61/903954061.db2.gz GFWRSPBECORUET-UHFFFAOYSA-N 2 1 281.444 1.923 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001270605253 904784458 /nfs/dbraw/zinc/78/44/58/904784458.db2.gz XOCWKFFVQKPVAX-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001271837827 906881157 /nfs/dbraw/zinc/88/11/57/906881157.db2.gz LWUBQUBDOQFWLZ-RRFJBIMHSA-N 2 1 281.444 1.633 10 30 CDEEMP CC#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001567976878 1169104080 /nfs/dbraw/zinc/10/40/80/1169104080.db2.gz MBGPIFQLTYVNJY-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483130533 909723349 /nfs/dbraw/zinc/72/33/49/909723349.db2.gz XFQMPDXNAZGJKA-HZSPNIEDSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507026237 909861521 /nfs/dbraw/zinc/86/15/21/909861521.db2.gz ARUOXRUFRJMBMI-ZFWWWQNUSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354689 910967679 /nfs/dbraw/zinc/96/76/79/910967679.db2.gz YMJANDULBKFIAI-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483354689 910967695 /nfs/dbraw/zinc/96/76/95/910967695.db2.gz YMJANDULBKFIAI-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483354689 910967706 /nfs/dbraw/zinc/96/77/06/910967706.db2.gz YMJANDULBKFIAI-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483410748 911082957 /nfs/dbraw/zinc/08/29/57/911082957.db2.gz WMUDOCLLENMTAY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483410748 911082974 /nfs/dbraw/zinc/08/29/74/911082974.db2.gz WMUDOCLLENMTAY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483410748 911082983 /nfs/dbraw/zinc/08/29/83/911082983.db2.gz WMUDOCLLENMTAY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484067332 915371996 /nfs/dbraw/zinc/37/19/96/915371996.db2.gz IVWXFTRIMJTOPW-MRXNPFEDSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001484747259 916132753 /nfs/dbraw/zinc/13/27/53/916132753.db2.gz OFOMVWKXUTVMSG-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484747259 916132769 /nfs/dbraw/zinc/13/27/69/916132769.db2.gz OFOMVWKXUTVMSG-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001484747259 916132778 /nfs/dbraw/zinc/13/27/78/916132778.db2.gz OFOMVWKXUTVMSG-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP CCCCNC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303885212 935046887 /nfs/dbraw/zinc/04/68/87/935046887.db2.gz JNTOIMUIDBOFSE-UHFFFAOYSA-N 2 1 254.422 1.955 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001485299412 916781218 /nfs/dbraw/zinc/78/12/18/916781218.db2.gz JYVOJCFGFTZUAQ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001486518773 921094024 /nfs/dbraw/zinc/09/40/24/921094024.db2.gz IIHGSCVRDBYFTH-HNNXBMFYSA-N 2 1 279.428 1.651 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001491538637 936931465 /nfs/dbraw/zinc/93/14/65/936931465.db2.gz MICFINMBZWNGGV-AWEZNQCLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001489331623 926873169 /nfs/dbraw/zinc/87/31/69/926873169.db2.gz 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281.444 1.729 10 30 CDEEMP C=C(C)CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001282888221 942766564 /nfs/dbraw/zinc/76/65/64/942766564.db2.gz IOOBDMIFWOUHBI-PHZGNYQRSA-N 2 1 293.455 1.588 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001282888221 942766568 /nfs/dbraw/zinc/76/65/68/942766568.db2.gz IOOBDMIFWOUHBI-PHZGNYQRSA-N 2 1 293.455 1.588 10 30 CDEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001282888221 942766572 /nfs/dbraw/zinc/76/65/72/942766572.db2.gz IOOBDMIFWOUHBI-PHZGNYQRSA-N 2 1 293.455 1.588 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001284097427 943076349 /nfs/dbraw/zinc/07/63/49/943076349.db2.gz RBPWSOGENXBZLE-ARFHVFGLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001284321995 943146303 /nfs/dbraw/zinc/14/63/03/943146303.db2.gz FCSKLHSEJLRLAW-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001284921081 943289304 /nfs/dbraw/zinc/28/93/04/943289304.db2.gz QSRSFEFOOHTFNE-HNNXBMFYSA-N 2 1 297.418 1.601 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001277669684 943289450 /nfs/dbraw/zinc/28/94/50/943289450.db2.gz OHJSZUHFSJPUMD-OAHLLOKOSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264146513 944087838 /nfs/dbraw/zinc/08/78/38/944087838.db2.gz AKCQIWRBFKNCPW-RDBSUJKOSA-N 2 1 267.417 1.338 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)C[C@@H]2C1 ZINC001264655853 944158869 /nfs/dbraw/zinc/15/88/69/944158869.db2.gz QONUIKJROACCKH-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265208026 944275627 /nfs/dbraw/zinc/27/56/27/944275627.db2.gz OSLWUASGRVISGE-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265208026 944275631 /nfs/dbraw/zinc/27/56/31/944275631.db2.gz OSLWUASGRVISGE-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265208026 944275635 /nfs/dbraw/zinc/27/56/35/944275635.db2.gz OSLWUASGRVISGE-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265225487 944285687 /nfs/dbraw/zinc/28/56/87/944285687.db2.gz YTFLXMRAYRNVFB-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265225487 944285692 /nfs/dbraw/zinc/28/56/92/944285692.db2.gz YTFLXMRAYRNVFB-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001265225487 944285699 /nfs/dbraw/zinc/28/56/99/944285699.db2.gz YTFLXMRAYRNVFB-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265394653 944373568 /nfs/dbraw/zinc/37/35/68/944373568.db2.gz GDFDHIPLGHZJPF-HNNXBMFYSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001265456331 944394512 /nfs/dbraw/zinc/39/45/12/944394512.db2.gz PFAYMZHZLBMEBQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001265571254 944432776 /nfs/dbraw/zinc/43/27/76/944432776.db2.gz JGPJYWSXGVGTIL-NMWPEEMBSA-N 2 1 277.412 1.119 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001265617689 944448917 /nfs/dbraw/zinc/44/89/17/944448917.db2.gz NMIZXJGUDKWZOR-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001265786439 944508107 /nfs/dbraw/zinc/50/81/07/944508107.db2.gz NIJFVSWMGQQBRM-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001265978725 944611025 /nfs/dbraw/zinc/61/10/25/944611025.db2.gz WBSXWCZJVDRIJA-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001265978725 944611030 /nfs/dbraw/zinc/61/10/30/944611030.db2.gz WBSXWCZJVDRIJA-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001265978725 944611036 /nfs/dbraw/zinc/61/10/36/944611036.db2.gz WBSXWCZJVDRIJA-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001479717623 971379822 /nfs/dbraw/zinc/37/98/22/971379822.db2.gz LANUGQTWFYFQMK-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001479955154 971507327 /nfs/dbraw/zinc/50/73/27/971507327.db2.gz MBFQQXYWTMUIGT-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001480263753 971651421 /nfs/dbraw/zinc/65/14/21/971651421.db2.gz VUHFKSVMYMTNAQ-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051439 955652105 /nfs/dbraw/zinc/65/21/05/955652105.db2.gz BQICRFDUYGDDRJ-RYUDHWBXSA-N 2 1 253.390 1.140 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001492334666 955808278 /nfs/dbraw/zinc/80/82/78/955808278.db2.gz QRVZLWDPJSYWPU-UHFFFAOYSA-N 2 1 285.351 1.115 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC/C=C/CC ZINC001492293404 955814746 /nfs/dbraw/zinc/81/47/46/955814746.db2.gz OOVAHLHDQPFGSY-MOEXGYKKSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC/C=C/CC ZINC001492293404 955814760 /nfs/dbraw/zinc/81/47/60/955814760.db2.gz OOVAHLHDQPFGSY-MOEXGYKKSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C/CC ZINC001492293404 955814776 /nfs/dbraw/zinc/81/47/76/955814776.db2.gz OOVAHLHDQPFGSY-MOEXGYKKSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC/C=C/CC ZINC001492293404 955814790 /nfs/dbraw/zinc/81/47/90/955814790.db2.gz OOVAHLHDQPFGSY-MOEXGYKKSA-N 2 1 291.439 1.488 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001330685696 956565064 /nfs/dbraw/zinc/56/50/64/956565064.db2.gz AFXZJQOJRQXVPL-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC2CC2)CC1 ZINC001317492566 956696405 /nfs/dbraw/zinc/69/64/05/956696405.db2.gz ORMWDIMCCXTYOJ-UHFFFAOYSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001316786326 957019422 /nfs/dbraw/zinc/01/94/22/957019422.db2.gz IQZOZUAFULYCEN-OAGGEKHMSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001316786326 957019432 /nfs/dbraw/zinc/01/94/32/957019432.db2.gz IQZOZUAFULYCEN-OAGGEKHMSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001316786326 957019446 /nfs/dbraw/zinc/01/94/46/957019446.db2.gz IQZOZUAFULYCEN-OAGGEKHMSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001331559977 957137051 /nfs/dbraw/zinc/13/70/51/957137051.db2.gz IBMGFYNSMVNPLZ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317153691 957310041 /nfs/dbraw/zinc/31/00/41/957310041.db2.gz GSYUEGAGKIHHPF-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317214739 957349117 /nfs/dbraw/zinc/34/91/17/957349117.db2.gz GPQLGJMSEQFWJL-YMAMQOFZSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001317264427 957390593 /nfs/dbraw/zinc/39/05/93/957390593.db2.gz KMBODQSUZBWJNV-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317403882 957455659 /nfs/dbraw/zinc/45/56/59/957455659.db2.gz HKCMQEVWEQBPGG-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001332197609 957475181 /nfs/dbraw/zinc/47/51/81/957475181.db2.gz DHLUKRFWFDNUNJ-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)Cc1c[nH]cn1)C(C)C ZINC001317702160 957642133 /nfs/dbraw/zinc/64/21/33/957642133.db2.gz SQJOWNGLVPKROP-UHFFFAOYSA-N 2 1 276.384 1.192 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317800079 957668488 /nfs/dbraw/zinc/66/84/88/957668488.db2.gz DYSPLMQEXROOJH-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317800079 957668497 /nfs/dbraw/zinc/66/84/97/957668497.db2.gz DYSPLMQEXROOJH-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317800079 957668502 /nfs/dbraw/zinc/66/85/02/957668502.db2.gz DYSPLMQEXROOJH-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001494738302 972299186 /nfs/dbraw/zinc/29/91/86/972299186.db2.gz VILKOVABKLNRQJ-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001318415046 958091950 /nfs/dbraw/zinc/09/19/50/958091950.db2.gz WBCGJWWLYISJAF-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001494874113 972328117 /nfs/dbraw/zinc/32/81/17/972328117.db2.gz DPMJUMNLUUAGFV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001494874113 972328119 /nfs/dbraw/zinc/32/81/19/972328119.db2.gz DPMJUMNLUUAGFV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001494874113 972328122 /nfs/dbraw/zinc/32/81/22/972328122.db2.gz DPMJUMNLUUAGFV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001318669173 958218575 /nfs/dbraw/zinc/21/85/75/958218575.db2.gz AULLIEXPYVRAJZ-UHFFFAOYSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001318727790 958246580 /nfs/dbraw/zinc/24/65/80/958246580.db2.gz MZMYIAMLAZCRKM-CJNGLKHVSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCC[NH2+]C[C@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001318729749 958247715 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C=C(Cl)C[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001419787528 962109141 /nfs/dbraw/zinc/10/91/41/962109141.db2.gz HKDHVZGKDCSPBL-SNVBAGLBSA-N 2 1 270.764 1.038 10 30 CDEEMP CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001349821915 966486073 /nfs/dbraw/zinc/48/60/73/966486073.db2.gz BLRHIFVXQWIPIM-KBPBESRZSA-N 2 1 280.416 1.246 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001448503994 967133176 /nfs/dbraw/zinc/13/31/76/967133176.db2.gz UGURUXJXHCZFJN-MGPQQGTHSA-N 2 1 299.846 1.708 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001569614259 1169937590 /nfs/dbraw/zinc/93/75/90/1169937590.db2.gz PUKIMQFZOLQQLU-JKSUJKDBSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001358137539 969699296 /nfs/dbraw/zinc/69/92/96/969699296.db2.gz BMXKCBJZWHPOHM-BFHYXJOUSA-N 2 1 297.468 1.366 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001358137539 969699297 /nfs/dbraw/zinc/69/92/97/969699297.db2.gz BMXKCBJZWHPOHM-BFHYXJOUSA-N 2 1 297.468 1.366 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCC1 ZINC001495958517 972719056 /nfs/dbraw/zinc/71/90/56/972719056.db2.gz JEDTYHFIVZNJDD-UHFFFAOYSA-N 2 1 279.428 1.370 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001496630934 973000398 /nfs/dbraw/zinc/00/03/98/973000398.db2.gz SYHJWXRJJPUKIZ-RDJZCZTQSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001497749615 973486953 /nfs/dbraw/zinc/48/69/53/973486953.db2.gz JWQHBXDHDAXATD-PSKZRQQASA-N 2 1 265.401 1.166 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001497843590 973546642 /nfs/dbraw/zinc/54/66/42/973546642.db2.gz TUAIQCNXAMWDDF-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001499000710 974154643 /nfs/dbraw/zinc/15/46/43/974154643.db2.gz UKQKSAXVKASOEN-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001499000710 974154648 /nfs/dbraw/zinc/15/46/48/974154648.db2.gz UKQKSAXVKASOEN-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499131990 974192839 /nfs/dbraw/zinc/19/28/39/974192839.db2.gz NKIOUESENFJRKB-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001499131990 974192842 /nfs/dbraw/zinc/19/28/42/974192842.db2.gz NKIOUESENFJRKB-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001375519837 974411251 /nfs/dbraw/zinc/41/12/51/974411251.db2.gz COWBAOQBABPYON-GFCCVEGCSA-N 2 1 285.819 1.319 10 30 CDEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001501240696 974552541 /nfs/dbraw/zinc/55/25/41/974552541.db2.gz RLZQYAIAQNOHAM-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001501240696 974552551 /nfs/dbraw/zinc/55/25/51/974552551.db2.gz RLZQYAIAQNOHAM-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001501240696 974552560 /nfs/dbraw/zinc/55/25/60/974552560.db2.gz RLZQYAIAQNOHAM-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001506752020 975217103 /nfs/dbraw/zinc/21/71/03/975217103.db2.gz NBMWMCUJONPHGE-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506752020 975217111 /nfs/dbraw/zinc/21/71/11/975217111.db2.gz NBMWMCUJONPHGE-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506752020 975217116 /nfs/dbraw/zinc/21/71/16/975217116.db2.gz NBMWMCUJONPHGE-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001506885917 975246634 /nfs/dbraw/zinc/24/66/34/975246634.db2.gz WNZDNMWGYXSRLT-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001506959214 975274331 /nfs/dbraw/zinc/27/43/31/975274331.db2.gz ZGVOZWQFNOBTPO-HNNXBMFYSA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001398686226 976107933 /nfs/dbraw/zinc/10/79/33/976107933.db2.gz JOIBSKWXYLWXAP-KBPBESRZSA-N 2 1 299.846 1.661 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001675958608 1174168963 /nfs/dbraw/zinc/16/89/63/1174168963.db2.gz IIVBOEGCXLAIDQ-KKUMJFAQSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001676369985 1174216062 /nfs/dbraw/zinc/21/60/62/1174216062.db2.gz YZNQVPPJDMJXMB-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001571466464 1170440470 /nfs/dbraw/zinc/44/04/70/1170440470.db2.gz VRPYRLNFHRPJKK-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000593912298 342856043 /nfs/dbraw/zinc/85/60/43/342856043.db2.gz CXJUMGLFLMMCLD-ZDUSSCGKSA-N 2 1 268.405 1.102 10 30 CDEEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438039 342905805 /nfs/dbraw/zinc/90/58/05/342905805.db2.gz MIUAZXVGXQONOM-CABCVRRESA-N 2 1 294.443 1.778 10 30 CDEEMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600735564 342246341 /nfs/dbraw/zinc/24/63/41/342246341.db2.gz LFUMJKIUKJFLDM-KBPBESRZSA-N 2 1 265.401 1.363 10 30 CDEEMP Cc1cc(NCC[N@@H+](C)CCC[NH+](C)C)cc(C#N)n1 ZINC000596425150 343311803 /nfs/dbraw/zinc/31/18/03/343311803.db2.gz MZIZFQJKGSZWRM-UHFFFAOYSA-N 2 1 275.400 1.557 10 30 CDEEMP Cc1cc(NCC[N@H+](C)CCC[NH+](C)C)cc(C#N)n1 ZINC000596425150 343311804 /nfs/dbraw/zinc/31/18/04/343311804.db2.gz MZIZFQJKGSZWRM-UHFFFAOYSA-N 2 1 275.400 1.557 10 30 CDEEMP N#CC1(c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000597025948 343437601 /nfs/dbraw/zinc/43/76/01/343437601.db2.gz HBSFUMJTXVYNCH-GASCZTMLSA-N 2 1 267.376 1.893 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@@H]12 ZINC001659901276 1172143943 /nfs/dbraw/zinc/14/39/43/1172143943.db2.gz VRCQMWLIJVDSQD-GBJTYRQASA-N 2 1 278.396 1.119 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@@H]12 ZINC001659901276 1172143955 /nfs/dbraw/zinc/14/39/55/1172143955.db2.gz VRCQMWLIJVDSQD-GBJTYRQASA-N 2 1 278.396 1.119 10 30 CDEEMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@H+](C)CCO1 ZINC000262006358 359122011 /nfs/dbraw/zinc/12/20/11/359122011.db2.gz RPMIGJFTBUJCCV-HNNXBMFYSA-N 2 1 290.411 1.024 10 30 CDEEMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1C[N@@H+](C)CCO1 ZINC000262006358 359122018 /nfs/dbraw/zinc/12/20/18/359122018.db2.gz RPMIGJFTBUJCCV-HNNXBMFYSA-N 2 1 290.411 1.024 10 30 CDEEMP CN(CCC[N@@H+](C)Cc1ccc(C#N)cc1)CC[NH+](C)C ZINC000289541440 197396236 /nfs/dbraw/zinc/39/62/36/197396236.db2.gz WRVJLKIRLONOKS-UHFFFAOYSA-N 2 1 288.439 1.874 10 30 CDEEMP COC[C@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@H]1COC ZINC000671241961 541978784 /nfs/dbraw/zinc/97/87/84/541978784.db2.gz VMKTXMFDSKPEKU-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP COC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1COC ZINC000671241961 541978789 /nfs/dbraw/zinc/97/87/89/541978789.db2.gz VMKTXMFDSKPEKU-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP COC[C@H]1CCC[NH+]1CC#CC[N@H+]1CCC[C@H]1COC ZINC000671241961 541978797 /nfs/dbraw/zinc/97/87/97/541978797.db2.gz VMKTXMFDSKPEKU-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000119188763 391468587 /nfs/dbraw/zinc/46/85/87/391468587.db2.gz HLJFDMRCSRVKTL-UHFFFAOYSA-N 2 1 260.385 1.303 10 30 CDEEMP CC#CCN(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000119188763 391468589 /nfs/dbraw/zinc/46/85/89/391468589.db2.gz HLJFDMRCSRVKTL-UHFFFAOYSA-N 2 1 260.385 1.303 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000662680156 413298539 /nfs/dbraw/zinc/29/85/39/413298539.db2.gz GLRYBMAETVXHGV-HOCLYGCPSA-N 2 1 279.428 1.533 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)s1 ZINC000043683964 175092156 /nfs/dbraw/zinc/09/21/56/175092156.db2.gz KRISYPSITNYBND-LLVKDONJSA-N 2 1 250.367 1.015 10 30 CDEEMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000044560312 175204070 /nfs/dbraw/zinc/20/40/70/175204070.db2.gz RTDPMXODUUKJNZ-OAHLLOKOSA-N 2 1 285.391 1.068 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001666403527 1173132363 /nfs/dbraw/zinc/13/23/63/1173132363.db2.gz IJFVSBIQUMYDJT-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001667076278 1173230886 /nfs/dbraw/zinc/23/08/86/1173230886.db2.gz LJMMAGZSSXYKHP-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669861900 1173620635 /nfs/dbraw/zinc/62/06/35/1173620635.db2.gz GQXUINSGBKKTAM-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001671693790 1173704625 /nfs/dbraw/zinc/70/46/25/1173704625.db2.gz NMNSVJNQZHHTJR-QGZVFWFLSA-N 2 1 291.439 1.466 10 30 CDEEMP Cc1cccc(NC(=[NH2+])N[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000262449456 330013807 /nfs/dbraw/zinc/01/38/07/330013807.db2.gz DXOUDTURCWDQGO-CYBMUJFWSA-N 2 1 269.352 1.933 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454760 330014150 /nfs/dbraw/zinc/01/41/50/330014150.db2.gz KUQMDBZUNKOAMG-UONOGXRCSA-N 2 1 282.432 1.142 10 30 CDEEMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262756789 330029712 /nfs/dbraw/zinc/02/97/12/330029712.db2.gz BRKGHBOUZSHAFI-HNNXBMFYSA-N 2 1 278.444 1.968 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC[C@H](C)F ZINC001731805507 1159345254 /nfs/dbraw/zinc/34/52/54/1159345254.db2.gz SCMHCSRJXLCGCM-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC[C@H](C)F ZINC001731805507 1159345259 /nfs/dbraw/zinc/34/52/59/1159345259.db2.gz SCMHCSRJXLCGCM-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@H](C)F ZINC001731805507 1159345267 /nfs/dbraw/zinc/34/52/67/1159345267.db2.gz SCMHCSRJXLCGCM-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC[C@H](C)F ZINC001731805507 1159345275 /nfs/dbraw/zinc/34/52/75/1159345275.db2.gz SCMHCSRJXLCGCM-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001698861597 1175967045 /nfs/dbraw/zinc/96/70/45/1175967045.db2.gz QQRCOYXHUGQKHF-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267652951 1159556598 /nfs/dbraw/zinc/55/65/98/1159556598.db2.gz HVKRUZTUPXVSSB-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267652951 1159556602 /nfs/dbraw/zinc/55/66/02/1159556602.db2.gz HVKRUZTUPXVSSB-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267652951 1159556604 /nfs/dbraw/zinc/55/66/04/1159556604.db2.gz HVKRUZTUPXVSSB-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482354211 1160169420 /nfs/dbraw/zinc/16/94/20/1160169420.db2.gz PDFDSWGVDCYFLO-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001482555869 1160390332 /nfs/dbraw/zinc/39/03/32/1160390332.db2.gz CXOAMKOULXLXLN-JKSUJKDBSA-N 2 1 293.455 1.613 10 30 CDEEMP C#CC[NH+](C)[C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001700465519 1160676117 /nfs/dbraw/zinc/67/61/17/1160676117.db2.gz GDMZVPIECKODMZ-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700465519 1160676119 /nfs/dbraw/zinc/67/61/19/1160676119.db2.gz GDMZVPIECKODMZ-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700465519 1160676123 /nfs/dbraw/zinc/67/61/23/1160676123.db2.gz GDMZVPIECKODMZ-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001713255502 1178454912 /nfs/dbraw/zinc/45/49/12/1178454912.db2.gz NLIKYJNKWJFNFT-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001713471202 1178588032 /nfs/dbraw/zinc/58/80/32/1178588032.db2.gz DEWREMWLXZYHAR-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C[C@@H](CC[NH2+]Cc1cnc2ccc(C#N)cn12)[NH+](C)C ZINC000895298513 619526903 /nfs/dbraw/zinc/52/69/03/619526903.db2.gz YJYYRPVDESYMNQ-LBPRGKRZSA-N 2 1 271.368 1.636 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@@]1(C)CCCCO1 ZINC000902795119 625412879 /nfs/dbraw/zinc/41/28/79/625412879.db2.gz AIPSMKGXIPREJO-OWCLPIDISA-N 2 1 284.444 1.793 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000900916255 623652050 /nfs/dbraw/zinc/65/20/50/623652050.db2.gz XSINPYWEHIZPKU-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267999122 1159643069 /nfs/dbraw/zinc/64/30/69/1159643069.db2.gz CBPOQKVBOWNIRK-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001483345974 1160909198 /nfs/dbraw/zinc/90/91/98/1160909198.db2.gz RLIXWTIKPXVWAI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001483345974 1160909206 /nfs/dbraw/zinc/90/92/06/1160909206.db2.gz RLIXWTIKPXVWAI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001483345974 1160909214 /nfs/dbraw/zinc/90/92/14/1160909214.db2.gz RLIXWTIKPXVWAI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054330 1168535888 /nfs/dbraw/zinc/53/58/88/1168535888.db2.gz PSQVLJJGCPWOIP-BBRMVZONSA-N 2 1 299.434 1.869 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567404142 1168735627 /nfs/dbraw/zinc/73/56/27/1168735627.db2.gz UWBDRYUXDCGYPP-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567404142 1168735636 /nfs/dbraw/zinc/73/56/36/1168735636.db2.gz UWBDRYUXDCGYPP-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567404142 1168735647 /nfs/dbraw/zinc/73/56/47/1168735647.db2.gz UWBDRYUXDCGYPP-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001568339427 1169254022 /nfs/dbraw/zinc/25/40/22/1169254022.db2.gz UHCZGNUUAIJHBW-CQSZACIVSA-N 2 1 278.400 1.498 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001568453542 1169296297 /nfs/dbraw/zinc/29/62/97/1169296297.db2.gz UJBBPVHGYJNJHS-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568865381 1169524758 /nfs/dbraw/zinc/52/47/58/1169524758.db2.gz BYHDAQJGORCMMS-MBVDDHJVSA-N 2 1 279.428 1.699 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568969958 1169568352 /nfs/dbraw/zinc/56/83/52/1169568352.db2.gz RIZSJEZBMHECNW-VBROQKIQSA-N 2 1 299.846 1.875 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001569151791 1169693300 /nfs/dbraw/zinc/69/33/00/1169693300.db2.gz OTEWPMHQZNGYDZ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001570259137 1170123142 /nfs/dbraw/zinc/12/31/42/1170123142.db2.gz JOPQQVCNVQPQGU-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570399637 1170151365 /nfs/dbraw/zinc/15/13/65/1170151365.db2.gz HDCKNUPHGDDGFK-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001660794324 1172277332 /nfs/dbraw/zinc/27/73/32/1172277332.db2.gz LBPWKLHTLWRQTN-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001668173504 1173377246 /nfs/dbraw/zinc/37/72/46/1173377246.db2.gz JJGQZTHCLDLNJG-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001673483238 1173862487 /nfs/dbraw/zinc/86/24/87/1173862487.db2.gz NEGYBLODPWSEBA-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001673483238 1173862494 /nfs/dbraw/zinc/86/24/94/1173862494.db2.gz NEGYBLODPWSEBA-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001673483238 1173862500 /nfs/dbraw/zinc/86/25/00/1173862500.db2.gz NEGYBLODPWSEBA-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691752168 1174000970 /nfs/dbraw/zinc/00/09/70/1174000970.db2.gz BXRRIUVTZYWVJV-FPCVCCKLSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001675919757 1174165247 /nfs/dbraw/zinc/16/52/47/1174165247.db2.gz LARVENCDELMQBX-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001690632085 1175529066 /nfs/dbraw/zinc/52/90/66/1175529066.db2.gz QTPWINNJUVSTCJ-ZDUSSCGKSA-N 2 1 278.400 1.642 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001698564707 1175846403 /nfs/dbraw/zinc/84/64/03/1175846403.db2.gz WKAVNMCJGVFGMC-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001698564707 1175846408 /nfs/dbraw/zinc/84/64/08/1175846408.db2.gz WKAVNMCJGVFGMC-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001698564707 1175846416 /nfs/dbraw/zinc/84/64/16/1175846416.db2.gz WKAVNMCJGVFGMC-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667348 1175891326 /nfs/dbraw/zinc/89/13/26/1175891326.db2.gz FJJULYVERAXCNE-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667347 1175891840 /nfs/dbraw/zinc/89/18/40/1175891840.db2.gz FJJULYVERAXCNE-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001698875588 1175975273 /nfs/dbraw/zinc/97/52/73/1175975273.db2.gz LKDYSWYFCDTBHW-AWEZNQCLSA-N 2 1 278.400 1.498 10 30 CDEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001698959080 1175995694 /nfs/dbraw/zinc/99/56/94/1175995694.db2.gz KQFMYNNWRZCQLE-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001698959080 1175995701 /nfs/dbraw/zinc/99/57/01/1175995701.db2.gz KQFMYNNWRZCQLE-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC001698998390 1176029205 /nfs/dbraw/zinc/02/92/05/1176029205.db2.gz WNJDEPXBIWZEIS-CQSZACIVSA-N 2 1 292.427 1.945 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001698998390 1176029214 /nfs/dbraw/zinc/02/92/14/1176029214.db2.gz WNJDEPXBIWZEIS-CQSZACIVSA-N 2 1 292.427 1.945 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001698998390 1176029222 /nfs/dbraw/zinc/02/92/22/1176029222.db2.gz WNJDEPXBIWZEIS-CQSZACIVSA-N 2 1 292.427 1.945 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC1 ZINC001699104524 1176096194 /nfs/dbraw/zinc/09/61/94/1176096194.db2.gz KAHRGFMTMBTSQQ-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC1 ZINC001699104524 1176096202 /nfs/dbraw/zinc/09/62/02/1176096202.db2.gz KAHRGFMTMBTSQQ-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC(C)C ZINC001699372571 1176328357 /nfs/dbraw/zinc/32/83/57/1176328357.db2.gz BOBHIFPIUSQKBP-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC(C)C ZINC001699372571 1176328370 /nfs/dbraw/zinc/32/83/70/1176328370.db2.gz BOBHIFPIUSQKBP-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CC1 ZINC001699668134 1176560719 /nfs/dbraw/zinc/56/07/19/1176560719.db2.gz MNILTVQBTHKBRX-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699723659 1176590399 /nfs/dbraw/zinc/59/03/99/1176590399.db2.gz ZWOANHSSVYTWFL-HNNXBMFYSA-N 2 1 281.444 1.681 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700355367 1176869341 /nfs/dbraw/zinc/86/93/41/1176869341.db2.gz HPDSUCXQRSGYKV-HNNXBMFYSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001700409929 1176911923 /nfs/dbraw/zinc/91/19/23/1176911923.db2.gz RPRZMAGLIYACAG-KGLIPLIRSA-N 2 1 278.400 1.641 10 30 CDEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001700517238 1176991413 /nfs/dbraw/zinc/99/14/13/1176991413.db2.gz KMXUUVAYFXGUCZ-JKSUJKDBSA-N 2 1 293.455 1.757 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001700628617 1177042109 /nfs/dbraw/zinc/04/21/09/1177042109.db2.gz AHCRCWOXASOTJR-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001700988449 1177227646 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10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714541392 1179198494 /nfs/dbraw/zinc/19/84/94/1179198494.db2.gz LZWSKFQCGOYEHS-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714541392 1179198501 /nfs/dbraw/zinc/19/85/01/1179198501.db2.gz LZWSKFQCGOYEHS-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001714646056 1179294569 /nfs/dbraw/zinc/29/45/69/1179294569.db2.gz OBBNTEAAXUIYCT-ZIAGYGMSSA-N 2 1 290.411 1.603 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001715159984 1179566400 /nfs/dbraw/zinc/56/64/00/1179566400.db2.gz IKTNAZZKJYYLES-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001715761354 1179793807 /nfs/dbraw/zinc/79/38/07/1179793807.db2.gz HHCQPRBZTHGFRP-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001715775042 1179800755 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30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001715868048 1179886575 /nfs/dbraw/zinc/88/65/75/1179886575.db2.gz NAXODVCRXAQISU-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715868048 1179886588 /nfs/dbraw/zinc/88/65/88/1179886588.db2.gz NAXODVCRXAQISU-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001715868048 1179886601 /nfs/dbraw/zinc/88/66/01/1179886601.db2.gz NAXODVCRXAQISU-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715983981 1179963429 /nfs/dbraw/zinc/96/34/29/1179963429.db2.gz SEOOCWHXRCJPJN-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001716611099 1180305214 /nfs/dbraw/zinc/30/52/14/1180305214.db2.gz CRHLOIUMZQXMBA-ARFHVFGLSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001716701301 1180379341 /nfs/dbraw/zinc/37/93/41/1180379341.db2.gz ZPEHGCYDUJBDAH-UHFFFAOYSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851080 1180441044 /nfs/dbraw/zinc/44/10/44/1180441044.db2.gz KGJSYZCURSUIMK-OAHLLOKOSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716851080 1180441049 /nfs/dbraw/zinc/44/10/49/1180441049.db2.gz KGJSYZCURSUIMK-OAHLLOKOSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716851080 1180441053 /nfs/dbraw/zinc/44/10/53/1180441053.db2.gz KGJSYZCURSUIMK-OAHLLOKOSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001716879545 1180451774 /nfs/dbraw/zinc/45/17/74/1180451774.db2.gz ZCGITLSMWDXNIU-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001717098779 1180530998 /nfs/dbraw/zinc/53/09/98/1180530998.db2.gz IEVAFYSMHJXLHZ-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001717528493 1180721727 /nfs/dbraw/zinc/72/17/27/1180721727.db2.gz ZTOICFPECPBUPS-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717682519 1180789671 /nfs/dbraw/zinc/78/96/71/1180789671.db2.gz VHIQAAHYLXUWQB-JYJNAYRXSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001717702838 1180796310 /nfs/dbraw/zinc/79/63/10/1180796310.db2.gz FISLYAAXOCINDT-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001717861601 1180896687 /nfs/dbraw/zinc/89/66/87/1180896687.db2.gz YSLBOQXVCIKQLV-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001717861601 1180896695 /nfs/dbraw/zinc/89/66/95/1180896695.db2.gz YSLBOQXVCIKQLV-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001717861601 1180896708 /nfs/dbraw/zinc/89/67/08/1180896708.db2.gz YSLBOQXVCIKQLV-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001724204953 1181653883 /nfs/dbraw/zinc/65/38/83/1181653883.db2.gz QAGQNAXWRJZYGC-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001724644735 1181713639 /nfs/dbraw/zinc/71/36/39/1181713639.db2.gz BMIWCLBEKQIZDN-JKSUJKDBSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724644735 1181713647 /nfs/dbraw/zinc/71/36/47/1181713647.db2.gz BMIWCLBEKQIZDN-JKSUJKDBSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724644735 1181713655 /nfs/dbraw/zinc/71/36/55/1181713655.db2.gz BMIWCLBEKQIZDN-JKSUJKDBSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001724651175 1181715207 /nfs/dbraw/zinc/71/52/07/1181715207.db2.gz PARKPNNXOMEDKA-CVEARBPZSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724651175 1181715215 /nfs/dbraw/zinc/71/52/15/1181715215.db2.gz PARKPNNXOMEDKA-CVEARBPZSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724651175 1181715221 /nfs/dbraw/zinc/71/52/21/1181715221.db2.gz PARKPNNXOMEDKA-CVEARBPZSA-N 2 1 293.455 1.968 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724659655 1181717788 /nfs/dbraw/zinc/71/77/88/1181717788.db2.gz WLGWCJCABMLRFB-GJZGRUSLSA-N 2 1 289.423 1.027 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724854874 1181769902 /nfs/dbraw/zinc/76/99/02/1181769902.db2.gz SUMNEXRPCDSNHZ-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725185106 1181910944 /nfs/dbraw/zinc/91/09/44/1181910944.db2.gz JBPSYTDCMURXHT-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001725327077 1181962761 /nfs/dbraw/zinc/96/27/61/1181962761.db2.gz KZOOHKWRCRFIFZ-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001725753140 1182121278 /nfs/dbraw/zinc/12/12/78/1182121278.db2.gz TTWSFZHOCMDIJU-ZDUSSCGKSA-N 2 1 269.433 1.635 10 30 CDEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001725818782 1182141341 /nfs/dbraw/zinc/14/13/41/1182141341.db2.gz XCSHVDDPPRFTCT-UHFFFAOYSA-N 2 1 289.423 1.242 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001725818782 1182141343 /nfs/dbraw/zinc/14/13/43/1182141343.db2.gz XCSHVDDPPRFTCT-UHFFFAOYSA-N 2 1 289.423 1.242 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731270972 1182286196 /nfs/dbraw/zinc/28/61/96/1182286196.db2.gz FMMIORSSHFCHNR-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731270972 1182286200 /nfs/dbraw/zinc/28/62/00/1182286200.db2.gz FMMIORSSHFCHNR-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731270972 1182286205 /nfs/dbraw/zinc/28/62/05/1182286205.db2.gz FMMIORSSHFCHNR-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCCC(C)C ZINC001731773617 1182568117 /nfs/dbraw/zinc/56/81/17/1182568117.db2.gz BVVFJOIJPZFPFM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCCC(C)C ZINC001731773617 1182568125 /nfs/dbraw/zinc/56/81/25/1182568125.db2.gz BVVFJOIJPZFPFM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCC(C)C ZINC001731773617 1182568128 /nfs/dbraw/zinc/56/81/28/1182568128.db2.gz BVVFJOIJPZFPFM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCCC(C)C ZINC001731773617 1182568132 /nfs/dbraw/zinc/56/81/32/1182568132.db2.gz BVVFJOIJPZFPFM-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001731875093 1182643794 /nfs/dbraw/zinc/64/37/94/1182643794.db2.gz KEEFKYKXUIYUNQ-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001731875093 1182643795 /nfs/dbraw/zinc/64/37/95/1182643795.db2.gz KEEFKYKXUIYUNQ-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731875093 1182643800 /nfs/dbraw/zinc/64/38/00/1182643800.db2.gz KEEFKYKXUIYUNQ-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001731875093 1182643803 /nfs/dbraw/zinc/64/38/03/1182643803.db2.gz KEEFKYKXUIYUNQ-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001731913690 1182676859 /nfs/dbraw/zinc/67/68/59/1182676859.db2.gz REBBNPOJUJGVAP-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732164658 1182823992 /nfs/dbraw/zinc/82/39/92/1182823992.db2.gz GFACBFBJSCMLOX-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001732164658 1182823999 /nfs/dbraw/zinc/82/39/99/1182823999.db2.gz GFACBFBJSCMLOX-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001732164658 1182824008 /nfs/dbraw/zinc/82/40/08/1182824008.db2.gz GFACBFBJSCMLOX-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732436511 1182965306 /nfs/dbraw/zinc/96/53/06/1182965306.db2.gz JQYVFFBAUSKSJS-CJNGLKHVSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001732471165 1182981740 /nfs/dbraw/zinc/98/17/40/1182981740.db2.gz HMOKKGQOIGNRGJ-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001732471165 1182981746 /nfs/dbraw/zinc/98/17/46/1182981746.db2.gz HMOKKGQOIGNRGJ-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001732600859 1183042864 /nfs/dbraw/zinc/04/28/64/1183042864.db2.gz WTKPRCHIHUALNQ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001732600859 1183042869 /nfs/dbraw/zinc/04/28/69/1183042869.db2.gz WTKPRCHIHUALNQ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001732600859 1183042875 /nfs/dbraw/zinc/04/28/75/1183042875.db2.gz WTKPRCHIHUALNQ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001732940720 1183191533 /nfs/dbraw/zinc/19/15/33/1183191533.db2.gz SCFNTXYITSGEKV-TWRSITDPSA-N 2 1 299.846 1.874 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001733342275 1183403616 /nfs/dbraw/zinc/40/36/16/1183403616.db2.gz RIYWJOJKWUAYDM-SOUVJXGZSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733664407 1183493176 /nfs/dbraw/zinc/49/31/76/1183493176.db2.gz AEZFRDALAMLJLH-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001734359305 1183747430 /nfs/dbraw/zinc/74/74/30/1183747430.db2.gz ZKIPETNMGVNKTQ-GDBMZVCRSA-N 2 1 289.423 1.912 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001734404591 1183764434 /nfs/dbraw/zinc/76/44/34/1183764434.db2.gz BCFUFBVAUSIPEI-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CN2CCCC2)[C@H]1C ZINC001750930472 1184783057 /nfs/dbraw/zinc/78/30/57/1184783057.db2.gz ZGZBCSPBUCXIOQ-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001750930472 1184783064 /nfs/dbraw/zinc/78/30/64/1184783064.db2.gz ZGZBCSPBUCXIOQ-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC001750930472 1184783071 /nfs/dbraw/zinc/78/30/71/1184783071.db2.gz ZGZBCSPBUCXIOQ-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C ZINC001618814338 1165644957 /nfs/dbraw/zinc/64/49/57/1165644957.db2.gz UCNJGPXLLHMNGW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001618814338 1165644962 /nfs/dbraw/zinc/64/49/62/1165644962.db2.gz UCNJGPXLLHMNGW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001618814338 1165644963 /nfs/dbraw/zinc/64/49/63/1165644963.db2.gz UCNJGPXLLHMNGW-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060192 823887794 /nfs/dbraw/zinc/88/77/94/823887794.db2.gz GUBIHJHBZYCBTG-BPLDGKMQSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000930060192 823887799 /nfs/dbraw/zinc/88/77/99/823887799.db2.gz GUBIHJHBZYCBTG-BPLDGKMQSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000930060192 823887812 /nfs/dbraw/zinc/88/78/12/823887812.db2.gz GUBIHJHBZYCBTG-BPLDGKMQSA-N 2 1 263.385 1.210 10 30 CDEEMP N#CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000930060192 823887813 /nfs/dbraw/zinc/88/78/13/823887813.db2.gz GUBIHJHBZYCBTG-BPLDGKMQSA-N 2 1 263.385 1.210 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CCC[NH2+]1 ZINC000877248956 824123485 /nfs/dbraw/zinc/12/34/85/824123485.db2.gz GMAGLSMBVURMGP-OFQRWUPVSA-N 2 1 277.412 1.237 10 30 CDEEMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000796946023 824206888 /nfs/dbraw/zinc/20/68/88/824206888.db2.gz DHNOZLTWZRDWHV-OWCLPIDISA-N 2 1 270.380 1.916 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C#N)cn2)[C@H]2CCC[C@H]21 ZINC000796946023 824206893 /nfs/dbraw/zinc/20/68/93/824206893.db2.gz DHNOZLTWZRDWHV-OWCLPIDISA-N 2 1 270.380 1.916 10 30 CDEEMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000925727579 825091211 /nfs/dbraw/zinc/09/12/11/825091211.db2.gz HXGIJISNBCLSNP-KNXALSJPSA-N 2 1 255.365 1.756 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000863032177 825189143 /nfs/dbraw/zinc/18/91/43/825189143.db2.gz MQEDKEPLJDTLHZ-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCOCC[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000879203398 825630272 /nfs/dbraw/zinc/63/02/72/825630272.db2.gz MIWCTWULANCFDF-UHFFFAOYSA-N 2 1 250.386 1.587 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[NH2+][C@H](c2ccccc2C)C1 ZINC000825170185 826897930 /nfs/dbraw/zinc/89/79/30/826897930.db2.gz UIVKZSSYBGHLHE-INIZCTEOSA-N 2 1 287.407 1.586 10 30 CDEEMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417598 827397744 /nfs/dbraw/zinc/39/77/44/827397744.db2.gz AYXRTPNRSWSVQM-GJZGRUSLSA-N 2 1 264.413 1.877 10 30 CDEEMP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417598 827397752 /nfs/dbraw/zinc/39/77/52/827397752.db2.gz AYXRTPNRSWSVQM-GJZGRUSLSA-N 2 1 264.413 1.877 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001569118787 1167553136 /nfs/dbraw/zinc/55/31/36/1167553136.db2.gz GWRVZJJDOHVRMH-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001569118787 1167553143 /nfs/dbraw/zinc/55/31/43/1167553143.db2.gz GWRVZJJDOHVRMH-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001569118787 1167553148 /nfs/dbraw/zinc/55/31/48/1167553148.db2.gz GWRVZJJDOHVRMH-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC=C)C1 ZINC001566895537 1168459222 /nfs/dbraw/zinc/45/92/22/1168459222.db2.gz KFPDTWJTQQHPSN-CVEARBPZSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC=C)C1 ZINC001566895537 1168459227 /nfs/dbraw/zinc/45/92/27/1168459227.db2.gz KFPDTWJTQQHPSN-CVEARBPZSA-N 2 1 289.423 1.098 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675354 912570702 /nfs/dbraw/zinc/57/07/02/912570702.db2.gz CCALMZCVYNDHLU-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001483675354 912570689 /nfs/dbraw/zinc/57/06/89/912570689.db2.gz CCALMZCVYNDHLU-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266545958 895300469 /nfs/dbraw/zinc/30/04/69/895300469.db2.gz RWTFEWLPCCOBPF-KBPBESRZSA-N 2 1 267.417 1.197 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001266880865 896267885 /nfs/dbraw/zinc/26/78/85/896267885.db2.gz QABBCNXOYMYAHH-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267039159 896617256 /nfs/dbraw/zinc/61/72/56/896617256.db2.gz MXFBXPNYDWIHLD-GJZGRUSLSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267175072 897012280 /nfs/dbraw/zinc/01/22/80/897012280.db2.gz PIESKLGGJRXAMG-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267319324 897579227 /nfs/dbraw/zinc/57/92/27/897579227.db2.gz GUFJRCIGZBWEIA-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267319324 897579203 /nfs/dbraw/zinc/57/92/03/897579203.db2.gz GUFJRCIGZBWEIA-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267319324 897579215 /nfs/dbraw/zinc/57/92/15/897579215.db2.gz GUFJRCIGZBWEIA-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267559782 898369036 /nfs/dbraw/zinc/36/90/36/898369036.db2.gz CJOXKSAXLRTUMY-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267559782 898369045 /nfs/dbraw/zinc/36/90/45/898369045.db2.gz CJOXKSAXLRTUMY-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001567633661 1168897219 /nfs/dbraw/zinc/89/72/19/1168897219.db2.gz MKBPXMMZZJFDAM-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481111712 898877709 /nfs/dbraw/zinc/87/77/09/898877709.db2.gz JWVHTPIWFFPHMU-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481111712 898877711 /nfs/dbraw/zinc/87/77/11/898877711.db2.gz JWVHTPIWFFPHMU-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481111712 898877724 /nfs/dbraw/zinc/87/77/24/898877724.db2.gz JWVHTPIWFFPHMU-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267667818 899211151 /nfs/dbraw/zinc/21/11/51/899211151.db2.gz MMAQQKUSCRPXMK-CQSZACIVSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001267751837 899590400 /nfs/dbraw/zinc/59/04/00/899590400.db2.gz LRSGPWIOHXBEEQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001267751837 899590406 /nfs/dbraw/zinc/59/04/06/899590406.db2.gz LRSGPWIOHXBEEQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C 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CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567915784 1169066141 /nfs/dbraw/zinc/06/61/41/1169066141.db2.gz XLSONEITMJWXIL-OAHLLOKOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001568026079 1169122024 /nfs/dbraw/zinc/12/20/24/1169122024.db2.gz KOMJMQQUKYKNRF-DOTOQJQBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001570359517 1170142080 /nfs/dbraw/zinc/14/20/80/1170142080.db2.gz WVNKSLMOQYRDCD-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001570825014 1170288002 /nfs/dbraw/zinc/28/80/02/1170288002.db2.gz KCFBWSXDALXZLY-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001570964011 1170325298 /nfs/dbraw/zinc/32/52/98/1170325298.db2.gz BRYWHQSHKWANBR-PHZGNYQRSA-N 2 1 293.455 1.587 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001570964011 1170325306 /nfs/dbraw/zinc/32/53/06/1170325306.db2.gz BRYWHQSHKWANBR-PHZGNYQRSA-N 2 1 293.455 1.587 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001570964011 1170325313 /nfs/dbraw/zinc/32/53/13/1170325313.db2.gz BRYWHQSHKWANBR-PHZGNYQRSA-N 2 1 293.455 1.587 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001656241260 1171798014 /nfs/dbraw/zinc/79/80/14/1171798014.db2.gz QRQIRDFIUQEILC-QAQDUYKDSA-N 2 1 299.418 1.236 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001656241260 1171798025 /nfs/dbraw/zinc/79/80/25/1171798025.db2.gz QRQIRDFIUQEILC-QAQDUYKDSA-N 2 1 299.418 1.236 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC001583315564 1172752995 /nfs/dbraw/zinc/75/29/95/1172752995.db2.gz KNLPOQAQZWKESG-OCCSQVGLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668117127 1173371352 /nfs/dbraw/zinc/37/13/52/1173371352.db2.gz DCMWALWCKGJQBL-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001674926390 1174037137 /nfs/dbraw/zinc/03/71/37/1174037137.db2.gz ZEMZKCPMSLYNMV-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001675360206 1174106947 /nfs/dbraw/zinc/10/69/47/1174106947.db2.gz USOYJROJIOPCAG-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675672959 1174136573 /nfs/dbraw/zinc/13/65/73/1174136573.db2.gz MSDJPBCUTDHCQX-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001676250316 1174196076 /nfs/dbraw/zinc/19/60/76/1174196076.db2.gz WOJRLQJNTIBLTH-HOCLYGCPSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001690771951 1175571008 /nfs/dbraw/zinc/57/10/08/1175571008.db2.gz MGXAAQKIVWYMPM-GJZGRUSLSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690785696 1175571754 /nfs/dbraw/zinc/57/17/54/1175571754.db2.gz XMNKGRHLOZDKDX-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001698855575 1175965077 /nfs/dbraw/zinc/96/50/77/1175965077.db2.gz HDDIAHSYZHJNRB-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001698862102 1175969216 /nfs/dbraw/zinc/96/92/16/1175969216.db2.gz UEEPZLQEAXHDJJ-GDBMZVCRSA-N 2 1 287.407 1.359 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001698963711 1175998171 /nfs/dbraw/zinc/99/81/71/1175998171.db2.gz VPDACCWGEVTVNJ-OAHLLOKOSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001698996228 1176025851 /nfs/dbraw/zinc/02/58/51/1176025851.db2.gz WJXRECIPRRAZOZ-AWEZNQCLSA-N 2 1 290.411 1.330 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001698996228 1176025859 /nfs/dbraw/zinc/02/58/59/1176025859.db2.gz WJXRECIPRRAZOZ-AWEZNQCLSA-N 2 1 290.411 1.330 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310484 1176212376 /nfs/dbraw/zinc/21/23/76/1176212376.db2.gz YKQHDIKAHBURNC-WLMCBFPDSA-N 2 1 295.402 1.094 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001699450200 1176413048 /nfs/dbraw/zinc/41/30/48/1176413048.db2.gz IWSFMPLKHIJOBU-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699450200 1176413051 /nfs/dbraw/zinc/41/30/51/1176413051.db2.gz IWSFMPLKHIJOBU-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001699450200 1176413054 /nfs/dbraw/zinc/41/30/54/1176413054.db2.gz IWSFMPLKHIJOBU-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001699467401 1176427755 /nfs/dbraw/zinc/42/77/55/1176427755.db2.gz KJPYONNKIKWNHY-CQSZACIVSA-N 2 1 290.411 1.432 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001699467401 1176427760 /nfs/dbraw/zinc/42/77/60/1176427760.db2.gz KJPYONNKIKWNHY-CQSZACIVSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001699469532 1176431994 /nfs/dbraw/zinc/43/19/94/1176431994.db2.gz MEHXDQKCQIYPJG-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001699853183 1176656945 /nfs/dbraw/zinc/65/69/45/1176656945.db2.gz HYKDTRYICTYPRN-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001700313359 1176844156 /nfs/dbraw/zinc/84/41/56/1176844156.db2.gz HZESIZIILXOWHB-KGLIPLIRSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001700486898 1176974328 /nfs/dbraw/zinc/97/43/28/1176974328.db2.gz HAVSUSHEKMINPY-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700486898 1176974334 /nfs/dbraw/zinc/97/43/34/1176974334.db2.gz HAVSUSHEKMINPY-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700486898 1176974341 /nfs/dbraw/zinc/97/43/41/1176974341.db2.gz HAVSUSHEKMINPY-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CCC=C)CC1 ZINC001700486945 1176975367 /nfs/dbraw/zinc/97/53/67/1176975367.db2.gz HMKUCGQXOFIHCR-HNNXBMFYSA-N 2 1 291.439 1.344 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700898849 1177187426 /nfs/dbraw/zinc/18/74/26/1177187426.db2.gz BROKIDCAVGAGCF-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001707109407 1177952774 /nfs/dbraw/zinc/95/27/74/1177952774.db2.gz JIXJAXZRZDYWPR-UONOGXRCSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001707469810 1178064923 /nfs/dbraw/zinc/06/49/23/1178064923.db2.gz KJELFAGCQXLSLD-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001713117002 1178377707 /nfs/dbraw/zinc/37/77/07/1178377707.db2.gz NUPMWLJPLJRNHX-HOTGVXAUSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713134540 1178386792 /nfs/dbraw/zinc/38/67/92/1178386792.db2.gz PECSFTFOQRNQPY-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713134540 1178386799 /nfs/dbraw/zinc/38/67/99/1178386799.db2.gz PECSFTFOQRNQPY-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713134540 1178386808 /nfs/dbraw/zinc/38/68/08/1178386808.db2.gz PECSFTFOQRNQPY-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713423235 1178554124 /nfs/dbraw/zinc/55/41/24/1178554124.db2.gz MGQQEYDZFYIFJB-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713494093 1178605835 /nfs/dbraw/zinc/60/58/35/1178605835.db2.gz ZLUKFDPZURVVBV-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001713494093 1178605839 /nfs/dbraw/zinc/60/58/39/1178605839.db2.gz ZLUKFDPZURVVBV-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001713515406 1178619078 /nfs/dbraw/zinc/61/90/78/1178619078.db2.gz UMTWIKXZQZXWMJ-GJZGRUSLSA-N 2 1 288.395 1.438 10 30 CDEEMP CC#CCN1CCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001713515406 1178619084 /nfs/dbraw/zinc/61/90/84/1178619084.db2.gz UMTWIKXZQZXWMJ-GJZGRUSLSA-N 2 1 288.395 1.438 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713683939 1178707218 /nfs/dbraw/zinc/70/72/18/1178707218.db2.gz GDIOESDOVSFEBP-GDBMZVCRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001714037461 1178941683 /nfs/dbraw/zinc/94/16/83/1178941683.db2.gz MYDNGHHAVAPRGE-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001714037461 1178941684 /nfs/dbraw/zinc/94/16/84/1178941684.db2.gz MYDNGHHAVAPRGE-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714075709 1178961035 /nfs/dbraw/zinc/96/10/35/1178961035.db2.gz ZHBWULRQJPGJJR-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001714236836 1179038886 /nfs/dbraw/zinc/03/88/86/1179038886.db2.gz WYVPYXYXCZKXCX-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001714272352 1179057907 /nfs/dbraw/zinc/05/79/07/1179057907.db2.gz HYCOLEWDYMISDL-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001714290335 1179069469 /nfs/dbraw/zinc/06/94/69/1179069469.db2.gz CUELHAQNEJTGOT-HOCLYGCPSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001714541388 1179197902 /nfs/dbraw/zinc/19/79/02/1179197902.db2.gz LZWSKFQCGOYEHS-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714541388 1179197904 /nfs/dbraw/zinc/19/79/04/1179197904.db2.gz LZWSKFQCGOYEHS-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001714541388 1179197908 /nfs/dbraw/zinc/19/79/08/1179197908.db2.gz LZWSKFQCGOYEHS-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714569658 1179227270 /nfs/dbraw/zinc/22/72/70/1179227270.db2.gz ANDSLDPCNKDTDW-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714572114 1179227990 /nfs/dbraw/zinc/22/79/90/1179227990.db2.gz KNFBUKUXVKMBKW-UHFFFAOYSA-N 2 1 275.396 1.596 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001714873669 1179431587 /nfs/dbraw/zinc/43/15/87/1179431587.db2.gz GETJERNQGUZKNO-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001714873669 1179431592 /nfs/dbraw/zinc/43/15/92/1179431592.db2.gz GETJERNQGUZKNO-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001714873669 1179431597 /nfs/dbraw/zinc/43/15/97/1179431597.db2.gz GETJERNQGUZKNO-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001715004348 1179502452 /nfs/dbraw/zinc/50/24/52/1179502452.db2.gz KLBAXRBHVSTYDC-RBSFLKMASA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001715004348 1179502455 /nfs/dbraw/zinc/50/24/55/1179502455.db2.gz KLBAXRBHVSTYDC-RBSFLKMASA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001715004348 1179502457 /nfs/dbraw/zinc/50/24/57/1179502457.db2.gz KLBAXRBHVSTYDC-RBSFLKMASA-N 2 1 279.428 1.626 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001715008028 1179506294 /nfs/dbraw/zinc/50/62/94/1179506294.db2.gz DRPFVAAUBIRVNP-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715033664 1179518416 /nfs/dbraw/zinc/51/84/16/1179518416.db2.gz YGYCSSLWGCBVMO-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001715500403 1179685282 /nfs/dbraw/zinc/68/52/82/1179685282.db2.gz FXVXSDMVDARNOM-OAHLLOKOSA-N 2 1 295.471 1.718 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001715591428 1179727275 /nfs/dbraw/zinc/72/72/75/1179727275.db2.gz AYBKLMHTSYJLRF-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH+]1CCC(C)(NC(=O)[C@@H](C)Cc2cnc[nH]2)CC1 ZINC001716798453 1180418643 /nfs/dbraw/zinc/41/86/43/1180418643.db2.gz UTFWVAUTTYWZMW-ZDUSSCGKSA-N 2 1 290.411 1.745 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490476 1180704479 /nfs/dbraw/zinc/70/44/79/1180704479.db2.gz NTWUXHGOKZYOCU-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001718024569 1180974855 /nfs/dbraw/zinc/97/48/55/1180974855.db2.gz YRSLMGZCEBITGM-UHFFFAOYSA-N 2 1 274.368 1.126 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001718024569 1180974858 /nfs/dbraw/zinc/97/48/58/1180974858.db2.gz YRSLMGZCEBITGM-UHFFFAOYSA-N 2 1 274.368 1.126 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001723905369 1181621716 /nfs/dbraw/zinc/62/17/16/1181621716.db2.gz FYOXGKIBVNYTOD-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724974779 1181812985 /nfs/dbraw/zinc/81/29/85/1181812985.db2.gz OXSCQSVKEMDGAW-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725039579 1181831377 /nfs/dbraw/zinc/83/13/77/1181831377.db2.gz DFTBXTWEEVTCJP-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001725039579 1181831380 /nfs/dbraw/zinc/83/13/80/1181831380.db2.gz DFTBXTWEEVTCJP-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001725039579 1181831382 /nfs/dbraw/zinc/83/13/82/1181831382.db2.gz DFTBXTWEEVTCJP-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001732059157 1182745460 /nfs/dbraw/zinc/74/54/60/1182745460.db2.gz MHSNCFCNQYDCCE-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001732059157 1182745466 /nfs/dbraw/zinc/74/54/66/1182745466.db2.gz MHSNCFCNQYDCCE-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001732059157 1182745473 /nfs/dbraw/zinc/74/54/73/1182745473.db2.gz MHSNCFCNQYDCCE-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001732359325 1182925129 /nfs/dbraw/zinc/92/51/29/1182925129.db2.gz BMKWEKZWUBZDRW-KGLIPLIRSA-N 2 1 267.417 1.246 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCCC1 ZINC001732399499 1182945094 /nfs/dbraw/zinc/94/50/94/1182945094.db2.gz IZMWLIWGFQBHFG-UHFFFAOYSA-N 2 1 267.417 1.533 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001732612942 1183048057 /nfs/dbraw/zinc/04/80/57/1183048057.db2.gz LHFBXKIZLACPTA-HOCLYGCPSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)CC1 ZINC001733255395 1183372910 /nfs/dbraw/zinc/37/29/10/1183372910.db2.gz BHNYBDDVQLCYKH-MRXNPFEDSA-N 2 1 295.402 1.071 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001733549378 1183463803 /nfs/dbraw/zinc/46/38/03/1183463803.db2.gz JNROYHCARHEORX-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606986 1183478199 /nfs/dbraw/zinc/47/81/99/1183478199.db2.gz MPJBPRJLBOXGMP-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001733721757 1183509193 /nfs/dbraw/zinc/50/91/93/1183509193.db2.gz QMGWIUDUIGDYEJ-UHFFFAOYSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC1 ZINC001733759940 1183522478 /nfs/dbraw/zinc/52/24/78/1183522478.db2.gz IPGTXOWGJHXTOP-CABCVRRESA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001733866697 1183554698 /nfs/dbraw/zinc/55/46/98/1183554698.db2.gz ZQCDVKKYVCOFLW-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001734040440 1183631551 /nfs/dbraw/zinc/63/15/51/1183631551.db2.gz GMGJHHYGVGNZJV-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001734040440 1183631553 /nfs/dbraw/zinc/63/15/53/1183631553.db2.gz GMGJHHYGVGNZJV-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001734040440 1183631556 /nfs/dbraw/zinc/63/15/56/1183631556.db2.gz GMGJHHYGVGNZJV-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)CCC)CC1 ZINC001734578494 1183832571 /nfs/dbraw/zinc/83/25/71/1183832571.db2.gz XJEIBDSISPQRQD-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001635757720 1166618630 /nfs/dbraw/zinc/61/86/30/1166618630.db2.gz JLXYEMMQCLIQGZ-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001635757720 1166618635 /nfs/dbraw/zinc/61/86/35/1166618635.db2.gz JLXYEMMQCLIQGZ-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001635757720 1166618638 /nfs/dbraw/zinc/61/86/38/1166618638.db2.gz JLXYEMMQCLIQGZ-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691743036 1166888073 /nfs/dbraw/zinc/88/80/73/1166888073.db2.gz TYGCXBBJHQGFPI-KFWWJZLASA-N 2 1 279.428 1.389 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](CCCSCC#N)C[C@]2(C)C1 ZINC000933740068 829018662 /nfs/dbraw/zinc/01/86/62/829018662.db2.gz OUQFDTOZDJQGJG-OLZOCXBDSA-N 2 1 253.415 1.517 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCCSCC#N)C[C@]2(C)C1 ZINC000933740068 829018672 /nfs/dbraw/zinc/01/86/72/829018672.db2.gz OUQFDTOZDJQGJG-OLZOCXBDSA-N 2 1 253.415 1.517 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCCSCC#N)C[C@]2(C)C1 ZINC000933740068 829018680 /nfs/dbraw/zinc/01/86/80/829018680.db2.gz OUQFDTOZDJQGJG-OLZOCXBDSA-N 2 1 253.415 1.517 10 30 CDEEMP C#CCC1(O)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000880480662 829367143 /nfs/dbraw/zinc/36/71/43/829367143.db2.gz APQCFYUFWMDPPH-UHFFFAOYSA-N 2 1 275.396 1.822 10 30 CDEEMP C#CC[C@H](COC)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000862551786 833405239 /nfs/dbraw/zinc/40/52/39/833405239.db2.gz YWXAKPZTIITLPK-HZPDHXFCSA-N 2 1 280.412 1.258 10 30 CDEEMP C[NH+]=C(NCc1ccn(C)c1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261959865 829960197 /nfs/dbraw/zinc/96/01/97/829960197.db2.gz JVKKOFZEOPOVKF-UKRRQHHQSA-N 2 1 291.443 1.419 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261629292 830312082 /nfs/dbraw/zinc/31/20/82/830312082.db2.gz CMCJTWBGEFXJTN-BFHYXJOUSA-N 2 1 296.459 1.449 10 30 CDEEMP C[N@H+]1CC[C@@H]([NH2+]CCNc2ccc(C#N)cn2)CC1(C)C ZINC000927169386 830612478 /nfs/dbraw/zinc/61/24/78/830612478.db2.gz YRXGTMZJYWTQJE-CQSZACIVSA-N 2 1 287.411 1.828 10 30 CDEEMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1CCCC[C@H]1C ZINC000261719877 832490557 /nfs/dbraw/zinc/49/05/57/832490557.db2.gz FQRLOVNUCNHXGT-MCIONIFRSA-N 2 1 282.432 1.333 10 30 CDEEMP CC[N@@H+](CCNC(=[NH2+])NC1CCCCC1)C(C)C ZINC000104191555 832492624 /nfs/dbraw/zinc/49/26/24/832492624.db2.gz JCIHBPDFQKMRDF-UHFFFAOYSA-N 2 1 254.422 1.954 10 30 CDEEMP CC(C)C[N@H+]1CC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000305038100 833884345 /nfs/dbraw/zinc/88/43/45/833884345.db2.gz UFFPBNSDSIQXFQ-KBPBESRZSA-N 2 1 282.432 1.048 10 30 CDEEMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC#CC[NH+](C)C ZINC000913523448 834014098 /nfs/dbraw/zinc/01/40/98/834014098.db2.gz AKVSLMSUBZUQSV-CYBMUJFWSA-N 2 1 276.384 1.078 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C)n1 ZINC000303879718 834312590 /nfs/dbraw/zinc/31/25/90/834312590.db2.gz GUBVYRYEWDEKCS-CQSZACIVSA-N 2 1 275.400 1.279 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718759144 834887042 /nfs/dbraw/zinc/88/70/42/834887042.db2.gz PHJHFPBTYKQHIY-CABCVRRESA-N 2 1 252.402 1.879 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718759144 834887043 /nfs/dbraw/zinc/88/70/43/834887043.db2.gz PHJHFPBTYKQHIY-CABCVRRESA-N 2 1 252.402 1.879 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852869947 835386639 /nfs/dbraw/zinc/38/66/39/835386639.db2.gz HWNNHFIZTMIUDO-ZBFHGGJFSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001569118789 1167553244 /nfs/dbraw/zinc/55/32/44/1167553244.db2.gz GWRVZJJDOHVRMH-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001569118789 1167553249 /nfs/dbraw/zinc/55/32/49/1167553249.db2.gz GWRVZJJDOHVRMH-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001569118789 1167553256 /nfs/dbraw/zinc/55/32/56/1167553256.db2.gz GWRVZJJDOHVRMH-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001571396512 1167593997 /nfs/dbraw/zinc/59/39/97/1167593997.db2.gz DKNACFLIIQIZDP-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)CC=C ZINC001566553412 1168334431 /nfs/dbraw/zinc/33/44/31/1168334431.db2.gz RUDMHIGCEKWSNE-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)CC=C ZINC001566553412 1168334438 /nfs/dbraw/zinc/33/44/38/1168334438.db2.gz RUDMHIGCEKWSNE-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC=C ZINC001566553412 1168334448 /nfs/dbraw/zinc/33/44/48/1168334448.db2.gz RUDMHIGCEKWSNE-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)CC=C ZINC001566553412 1168334456 /nfs/dbraw/zinc/33/44/56/1168334456.db2.gz RUDMHIGCEKWSNE-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001566679047 1168384440 /nfs/dbraw/zinc/38/44/40/1168384440.db2.gz LRSGPWIOHXBEEQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001566679047 1168384449 /nfs/dbraw/zinc/38/44/49/1168384449.db2.gz LRSGPWIOHXBEEQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001566929558 1168471442 /nfs/dbraw/zinc/47/14/42/1168471442.db2.gz DEDLCJBSFYAXSY-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001566929558 1168471444 /nfs/dbraw/zinc/47/14/44/1168471444.db2.gz DEDLCJBSFYAXSY-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001566929558 1168471447 /nfs/dbraw/zinc/47/14/47/1168471447.db2.gz DEDLCJBSFYAXSY-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567201754 1168616125 /nfs/dbraw/zinc/61/61/25/1168616125.db2.gz HNOXPXCDVGVPMV-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567201754 1168616128 /nfs/dbraw/zinc/61/61/28/1168616128.db2.gz HNOXPXCDVGVPMV-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567201754 1168616135 /nfs/dbraw/zinc/61/61/35/1168616135.db2.gz HNOXPXCDVGVPMV-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001272342541 912893677 /nfs/dbraw/zinc/89/36/77/912893677.db2.gz HSDWFDGLVFPMQA-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567250752 1168639794 /nfs/dbraw/zinc/63/97/94/1168639794.db2.gz XGJGPFSIJCHUQA-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP 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C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001663537032 1172718610 /nfs/dbraw/zinc/71/86/10/1172718610.db2.gz JDVCKTMXOPPLEG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001663537032 1172718623 /nfs/dbraw/zinc/71/86/23/1172718623.db2.gz JDVCKTMXOPPLEG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC(C)C ZINC001663663579 1172741297 /nfs/dbraw/zinc/74/12/97/1172741297.db2.gz DXXHZEIQEGTXCZ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC(C)C ZINC001663663579 1172741302 /nfs/dbraw/zinc/74/13/02/1172741302.db2.gz DXXHZEIQEGTXCZ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(C)C ZINC001663663579 1172741308 /nfs/dbraw/zinc/74/13/08/1172741308.db2.gz DXXHZEIQEGTXCZ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(C)C ZINC001663663579 1172741314 /nfs/dbraw/zinc/74/13/14/1172741314.db2.gz DXXHZEIQEGTXCZ-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001663689063 1172746342 /nfs/dbraw/zinc/74/63/42/1172746342.db2.gz YBKMQDHLOFBHJX-UHFFFAOYSA-N 2 1 265.401 1.096 10 30 CDEEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000121103252 147357783 /nfs/dbraw/zinc/35/77/83/147357783.db2.gz HCUJVFSQZHIWGZ-ZDUSSCGKSA-N 2 1 291.395 1.676 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001665810227 1173065275 /nfs/dbraw/zinc/06/52/75/1173065275.db2.gz RCMUHRMFVXHPKU-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCC[C@H](O)C1 ZINC000043683966 175091658 /nfs/dbraw/zinc/09/16/58/175091658.db2.gz OYONMELCOHOZOX-LBPRGKRZSA-N 2 1 250.367 1.015 10 30 CDEEMP C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C#CC[NH3+])s1 ZINC000044566235 175208238 /nfs/dbraw/zinc/20/82/38/175208238.db2.gz HTANEZXLZPLRGL-LBPRGKRZSA-N 2 1 291.420 1.272 10 30 CDEEMP C=CCOc1ccc(C[N@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000415057301 263258673 /nfs/dbraw/zinc/25/86/73/263258673.db2.gz PSWFOQOVNDLXSR-CYBMUJFWSA-N 2 1 250.342 1.003 10 30 CDEEMP C=CCOc1ccc(C[N@@H+](C)C[C@H](O)C[NH3+])cc1 ZINC000415057301 263258675 /nfs/dbraw/zinc/25/86/75/263258675.db2.gz PSWFOQOVNDLXSR-CYBMUJFWSA-N 2 1 250.342 1.003 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291934 423921119 /nfs/dbraw/zinc/92/11/19/423921119.db2.gz ATGPHWHNLGPFKI-HOTGVXAUSA-N 2 1 291.439 1.485 10 30 CDEEMP CC#CC[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001667421262 1173264626 /nfs/dbraw/zinc/26/46/26/1173264626.db2.gz OGBSUNLPDNWXNG-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001667545952 1173285632 /nfs/dbraw/zinc/28/56/32/1173285632.db2.gz PGFBWMXQBMQKHD-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001667545952 1173285634 /nfs/dbraw/zinc/28/56/34/1173285634.db2.gz PGFBWMXQBMQKHD-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001667545952 1173285637 /nfs/dbraw/zinc/28/56/37/1173285637.db2.gz PGFBWMXQBMQKHD-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001667764496 1173323413 /nfs/dbraw/zinc/32/34/13/1173323413.db2.gz QHUQGBZKSLRGNG-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001669581073 1173572158 /nfs/dbraw/zinc/57/21/58/1173572158.db2.gz XNMWYQYNKZNOML-ZFWWWQNUSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531587 1173782502 /nfs/dbraw/zinc/78/25/02/1173782502.db2.gz XATBSVGWLPZCFG-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001673617284 1173871951 /nfs/dbraw/zinc/87/19/51/1173871951.db2.gz AKJMRIRNHUGCOV-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001690929650 1175614343 /nfs/dbraw/zinc/61/43/43/1175614343.db2.gz FCBBAXQZIQWWRN-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001690929650 1175614350 /nfs/dbraw/zinc/61/43/50/1175614350.db2.gz FCBBAXQZIQWWRN-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001690929650 1175614356 /nfs/dbraw/zinc/61/43/56/1175614356.db2.gz FCBBAXQZIQWWRN-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267942786 1159623561 /nfs/dbraw/zinc/62/35/61/1159623561.db2.gz MXBNPCAHJYSLHC-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001267942786 1159623563 /nfs/dbraw/zinc/62/35/63/1159623563.db2.gz MXBNPCAHJYSLHC-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691513793 1160198350 /nfs/dbraw/zinc/19/83/50/1160198350.db2.gz GWBZJGXIBFFZIB-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP CC1(C)C[N@H+](CCOc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049609330 520468744 /nfs/dbraw/zinc/46/87/44/520468744.db2.gz ODHAJETZFAEEGC-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP CC1(C)C[N@@H+](CCOc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049609330 520468753 /nfs/dbraw/zinc/46/87/53/520468753.db2.gz ODHAJETZFAEEGC-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP C[N@H+](CC(=O)N1CCCC1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609593 522433123 /nfs/dbraw/zinc/43/31/23/522433123.db2.gz AMZFXGLLNOBYIZ-UHFFFAOYSA-N 2 1 285.391 1.051 10 30 CDEEMP C[N@@H+](CC(=O)N1CCCC1)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609593 522433132 /nfs/dbraw/zinc/43/31/32/522433132.db2.gz AMZFXGLLNOBYIZ-UHFFFAOYSA-N 2 1 285.391 1.051 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCCSCC1 ZINC000049609939 523514885 /nfs/dbraw/zinc/51/48/85/523514885.db2.gz CPPKDOGHWIFNOK-UHFFFAOYSA-N 2 1 290.432 1.944 10 30 CDEEMP COCC[N@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609875 523623246 /nfs/dbraw/zinc/62/32/46/523623246.db2.gz CFFMDGCCBLSFAK-UHFFFAOYSA-N 2 1 250.317 1.214 10 30 CDEEMP COCC[N@@H+](C)Cc1ccc(C#CC[NH3+])cc1F ZINC000049609875 523623252 /nfs/dbraw/zinc/62/32/52/523623252.db2.gz CFFMDGCCBLSFAK-UHFFFAOYSA-N 2 1 250.317 1.214 10 30 CDEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001689259828 1175130890 /nfs/dbraw/zinc/13/08/90/1175130890.db2.gz PGNSPBADJUDELY-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCCC ZINC001689807727 1175265514 /nfs/dbraw/zinc/26/55/14/1175265514.db2.gz GDFITZNKNNJICW-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCCC ZINC001689807727 1175265521 /nfs/dbraw/zinc/26/55/21/1175265521.db2.gz GDFITZNKNNJICW-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCCC ZINC001689807727 1175265525 /nfs/dbraw/zinc/26/55/25/1175265525.db2.gz GDFITZNKNNJICW-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCCC ZINC001689807727 1175265531 /nfs/dbraw/zinc/26/55/31/1175265531.db2.gz GDFITZNKNNJICW-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001690018552 1175347475 /nfs/dbraw/zinc/34/74/75/1175347475.db2.gz JJCZSZAVBFNEOD-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941157723 613743429 /nfs/dbraw/zinc/74/34/29/613743429.db2.gz FSCZWXIKVJGPHX-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157723 613743430 /nfs/dbraw/zinc/74/34/30/613743430.db2.gz FSCZWXIKVJGPHX-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941157723 613743431 /nfs/dbraw/zinc/74/34/31/613743431.db2.gz FSCZWXIKVJGPHX-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C1CCN(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000895665651 619793787 /nfs/dbraw/zinc/79/37/87/619793787.db2.gz DUVTXUZPIJBJED-HNNXBMFYSA-N 2 1 296.459 1.620 10 30 CDEEMP C=C1CCN(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000895665651 619793793 /nfs/dbraw/zinc/79/37/93/619793793.db2.gz DUVTXUZPIJBJED-HNNXBMFYSA-N 2 1 296.459 1.620 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000900664324 623344107 /nfs/dbraw/zinc/34/41/07/623344107.db2.gz JDXUEGUFIYUMDZ-AWEZNQCLSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[C@H](C)[N@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903494353 626011326 /nfs/dbraw/zinc/01/13/26/626011326.db2.gz DJKIFLXASNDELY-FMSGJZPZSA-N 2 1 252.358 1.163 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000912065674 629747746 /nfs/dbraw/zinc/74/77/46/629747746.db2.gz MQEKAIZKKRSJIX-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP CNC(NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)=[NH+]C ZINC000153556456 631696886 /nfs/dbraw/zinc/69/68/86/631696886.db2.gz NBAHOOATWJWPLG-INIZCTEOSA-N 2 1 274.412 1.836 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001724742407 1158624308 /nfs/dbraw/zinc/62/43/08/1158624308.db2.gz AACAQRHXNCKMBL-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001266596354 1158648210 /nfs/dbraw/zinc/64/82/10/1158648210.db2.gz BHGCXTGQAZSQDL-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266596354 1158648212 /nfs/dbraw/zinc/64/82/12/1158648212.db2.gz BHGCXTGQAZSQDL-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266596354 1158648213 /nfs/dbraw/zinc/64/82/13/1158648213.db2.gz BHGCXTGQAZSQDL-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCC)CC1CC1 ZINC001691183703 1158950249 /nfs/dbraw/zinc/95/02/49/1158950249.db2.gz LBESUKSQPUESBJ-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC1CC1 ZINC001691183703 1158950253 /nfs/dbraw/zinc/95/02/53/1158950253.db2.gz LBESUKSQPUESBJ-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CC1 ZINC001691183703 1158950257 /nfs/dbraw/zinc/95/02/57/1158950257.db2.gz LBESUKSQPUESBJ-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC1CC1 ZINC001691183703 1158950263 /nfs/dbraw/zinc/95/02/63/1158950263.db2.gz LBESUKSQPUESBJ-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266987933 1159070481 /nfs/dbraw/zinc/07/04/81/1159070481.db2.gz AWZHSZFIHUOCLB-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001266410035 1158534461 /nfs/dbraw/zinc/53/44/61/1158534461.db2.gz WXUCBRVDQUXARP-JKSUJKDBSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC001670561793 1158646492 /nfs/dbraw/zinc/64/64/92/1158646492.db2.gz HMCUJIWEWKDHJM-KRWDZBQOSA-N 2 1 299.418 1.236 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC001670561793 1158646494 /nfs/dbraw/zinc/64/64/94/1158646494.db2.gz HMCUJIWEWKDHJM-KRWDZBQOSA-N 2 1 299.418 1.236 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266789922 1158829744 /nfs/dbraw/zinc/82/97/44/1158829744.db2.gz AAACAVSLKLWPGS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001691052512 1158842288 /nfs/dbraw/zinc/84/22/88/1158842288.db2.gz SGLVBPDAGVAXGO-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691052512 1158842300 /nfs/dbraw/zinc/84/23/00/1158842300.db2.gz SGLVBPDAGVAXGO-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691052512 1158842312 /nfs/dbraw/zinc/84/23/12/1158842312.db2.gz SGLVBPDAGVAXGO-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268751176 1160013841 /nfs/dbraw/zinc/01/38/41/1160013841.db2.gz RRKJKYAQJUDELE-CQSZACIVSA-N 2 1 289.423 1.984 10 30 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C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001731426309 1182378549 /nfs/dbraw/zinc/37/85/49/1182378549.db2.gz UVOAOKCBOUYLFB-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731516775 1182431983 /nfs/dbraw/zinc/43/19/83/1182431983.db2.gz ZEKDTJRRGYCXBO-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731663975 1182508927 /nfs/dbraw/zinc/50/89/27/1182508927.db2.gz UTCYGLZTLODOHE-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731885043 1182652126 /nfs/dbraw/zinc/65/21/26/1182652126.db2.gz DOLZWTGIDWDRIV-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001732221957 1182867235 /nfs/dbraw/zinc/86/72/35/1182867235.db2.gz KNDYYYVOMYSWKV-INIZCTEOSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001732221957 1182867242 /nfs/dbraw/zinc/86/72/42/1182867242.db2.gz KNDYYYVOMYSWKV-INIZCTEOSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733052566 1183265750 /nfs/dbraw/zinc/26/57/50/1183265750.db2.gz DPIJLVBGHAGJFT-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001733052566 1183265754 /nfs/dbraw/zinc/26/57/54/1183265754.db2.gz DPIJLVBGHAGJFT-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001733052566 1183265757 /nfs/dbraw/zinc/26/57/57/1183265757.db2.gz DPIJLVBGHAGJFT-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001733409280 1183424209 /nfs/dbraw/zinc/42/42/09/1183424209.db2.gz BTMJBNMZAQHFLI-DOTOQJQBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001734579656 1183832723 /nfs/dbraw/zinc/83/27/23/1183832723.db2.gz HCEUQAQRPTYYCC-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)CC[N@H+]2CC[C@@H](F)C2)CC1 ZINC001632863317 1166382214 /nfs/dbraw/zinc/38/22/14/1166382214.db2.gz VTXIOYBDMTZBAA-CQSZACIVSA-N 2 1 297.418 1.577 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001691720087 1166548332 /nfs/dbraw/zinc/54/83/32/1166548332.db2.gz RRELQYRXPGOEKL-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(C)C ZINC000303974042 837572682 /nfs/dbraw/zinc/57/26/82/837572682.db2.gz HMOJHVVWFOLZBV-CYBMUJFWSA-N 2 1 270.421 1.048 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000876771405 836203369 /nfs/dbraw/zinc/20/33/69/836203369.db2.gz RHUDOEYNNMYUQX-WVMKXHBISA-N 2 1 285.819 1.588 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC1=CCCC1 ZINC000133894730 841690307 /nfs/dbraw/zinc/69/03/07/841690307.db2.gz LBMFHHXYXVFCEK-AWEZNQCLSA-N 2 1 264.417 1.875 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001566529745 1167973142 /nfs/dbraw/zinc/97/31/42/1167973142.db2.gz XIHYWMHBPXTOAY-GJZGRUSLSA-N 2 1 288.395 1.184 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439888 1168274149 /nfs/dbraw/zinc/27/41/49/1168274149.db2.gz SLERTAPPBGMSSK-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001566439888 1168274155 /nfs/dbraw/zinc/27/41/55/1168274155.db2.gz SLERTAPPBGMSSK-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001566439888 1168274163 /nfs/dbraw/zinc/27/41/63/1168274163.db2.gz SLERTAPPBGMSSK-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001566460770 1168286857 /nfs/dbraw/zinc/28/68/57/1168286857.db2.gz CESZOVOTXPSIBH-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001566742729 1168406681 /nfs/dbraw/zinc/40/66/81/1168406681.db2.gz BMSNLCDDDCZFBN-OAHLLOKOSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266544526 895297801 /nfs/dbraw/zinc/29/78/01/895297801.db2.gz CMKKRHSKIKYYJO-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266544526 895297818 /nfs/dbraw/zinc/29/78/18/895297818.db2.gz CMKKRHSKIKYYJO-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266544526 895297827 /nfs/dbraw/zinc/29/78/27/895297827.db2.gz CMKKRHSKIKYYJO-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001266731034 895932115 /nfs/dbraw/zinc/93/21/15/895932115.db2.gz OTZJDNFWLJHELJ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267046958 896630145 /nfs/dbraw/zinc/63/01/45/896630145.db2.gz GLCZMVDTGQDJOO-HOTGVXAUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267048940 896634711 /nfs/dbraw/zinc/63/47/11/896634711.db2.gz BYAQUWHBGXBXJH-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267112232 896822540 /nfs/dbraw/zinc/82/25/40/896822540.db2.gz WXCVDMHMXWABQA-CVEARBPZSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001267181877 897033654 /nfs/dbraw/zinc/03/36/54/897033654.db2.gz PNGBMIOPCASGEU-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001267181877 897033667 /nfs/dbraw/zinc/03/36/67/897033667.db2.gz PNGBMIOPCASGEU-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001267181877 897033680 /nfs/dbraw/zinc/03/36/80/897033680.db2.gz PNGBMIOPCASGEU-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001267456431 897932155 /nfs/dbraw/zinc/93/21/55/897932155.db2.gz XDOLKLNRMAVRET-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267660010 899197273 /nfs/dbraw/zinc/19/72/73/899197273.db2.gz IWNBCVCFJYTZMK-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001267735186 899445848 /nfs/dbraw/zinc/44/58/48/899445848.db2.gz OASLPRXDDDTPAT-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001267752536 899592916 /nfs/dbraw/zinc/59/29/16/899592916.db2.gz MYHFDKSDSTUBEX-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001267752536 899592921 /nfs/dbraw/zinc/59/29/21/899592921.db2.gz MYHFDKSDSTUBEX-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001267752536 899592929 /nfs/dbraw/zinc/59/29/29/899592929.db2.gz MYHFDKSDSTUBEX-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267985279 900194170 /nfs/dbraw/zinc/19/41/70/900194170.db2.gz DKSDFLLDISBNMA-QLFBSQMISA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267988515 900207743 /nfs/dbraw/zinc/20/77/43/900207743.db2.gz UJZYSXDBRKFFGA-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001481321898 900396338 /nfs/dbraw/zinc/39/63/38/900396338.db2.gz IMRPZPPRLZRSPI-UHFFFAOYSA-N 2 1 275.396 1.352 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001481321898 900396351 /nfs/dbraw/zinc/39/63/51/900396351.db2.gz IMRPZPPRLZRSPI-UHFFFAOYSA-N 2 1 275.396 1.352 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001481489655 900911039 /nfs/dbraw/zinc/91/10/39/900911039.db2.gz WTHCRSGNNCTGTP-CVEARBPZSA-N 2 1 295.471 1.929 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001481565278 901223051 /nfs/dbraw/zinc/22/30/51/901223051.db2.gz PBZSRGOGWBCDNH-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001268104866 901300634 /nfs/dbraw/zinc/30/06/34/901300634.db2.gz KHAMFFJRPRMXNY-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001268211822 901582379 /nfs/dbraw/zinc/58/23/79/901582379.db2.gz HZACXBGWJRAWLJ-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001268215740 901587912 /nfs/dbraw/zinc/58/79/12/901587912.db2.gz XLJATYQDQYDEOD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001268226368 901604774 /nfs/dbraw/zinc/60/47/74/901604774.db2.gz IOTQMOCCYJWRFT-KGLIPLIRSA-N 2 1 267.417 1.245 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001268236088 901628383 /nfs/dbraw/zinc/62/83/83/901628383.db2.gz ZJBDAPNFKCYYNM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001268236088 901628388 /nfs/dbraw/zinc/62/83/88/901628388.db2.gz ZJBDAPNFKCYYNM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001268250747 901671108 /nfs/dbraw/zinc/67/11/08/901671108.db2.gz HCSMOUCDMORLIZ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001268250747 901671116 /nfs/dbraw/zinc/67/11/16/901671116.db2.gz HCSMOUCDMORLIZ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752016 1168952551 /nfs/dbraw/zinc/95/25/51/1168952551.db2.gz BBARFFWIRYGVPI-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001567752016 1168952562 /nfs/dbraw/zinc/95/25/62/1168952562.db2.gz BBARFFWIRYGVPI-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567752016 1168952568 /nfs/dbraw/zinc/95/25/68/1168952568.db2.gz BBARFFWIRYGVPI-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001481659116 901742059 /nfs/dbraw/zinc/74/20/59/901742059.db2.gz ZFPAAKYMLOJIQJ-UHFFFAOYSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001481677202 901780410 /nfs/dbraw/zinc/78/04/10/901780410.db2.gz AVCAYOVYZWJGCE-JYJNAYRXSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](CC)CC ZINC001481677202 901780416 /nfs/dbraw/zinc/78/04/16/901780416.db2.gz AVCAYOVYZWJGCE-JYJNAYRXSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481754189 902018970 /nfs/dbraw/zinc/01/89/70/902018970.db2.gz JVPPTNFMDKLQCH-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268424380 902039475 /nfs/dbraw/zinc/03/94/75/902039475.db2.gz OUCDBMKKQYRVQW-HUUCEWRRSA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268424380 902039484 /nfs/dbraw/zinc/03/94/84/902039484.db2.gz OUCDBMKKQYRVQW-HUUCEWRRSA-N 2 1 297.443 1.158 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001482007637 902467135 /nfs/dbraw/zinc/46/71/35/902467135.db2.gz YKCRRPLGBRYASI-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)CN1CC[C@H]1CNC(=O)CCCn1ccnc1 ZINC001269356092 903730780 /nfs/dbraw/zinc/73/07/80/903730780.db2.gz MXVIAQDUNCXDEC-AWEZNQCLSA-N 2 1 276.384 1.430 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H](C)C1 ZINC001269948574 904230542 /nfs/dbraw/zinc/23/05/42/904230542.db2.gz MXZNBZPJJJWHFR-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001270443523 904639540 /nfs/dbraw/zinc/63/95/40/904639540.db2.gz HZBHKPGBIUFXFM-JKSUJKDBSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001270487379 904672696 /nfs/dbraw/zinc/67/26/96/904672696.db2.gz XAAAOZKVLOXFPM-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001482435355 905403674 /nfs/dbraw/zinc/40/36/74/905403674.db2.gz RAIYFZFRKJGESE-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001271577155 906523527 /nfs/dbraw/zinc/52/35/27/906523527.db2.gz RIFNTHOWZNZFOF-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001483059988 909198020 /nfs/dbraw/zinc/19/80/20/909198020.db2.gz AWCORJRRGWNMEY-GJBLVYBDSA-N 2 1 265.401 1.166 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001506961503 909688798 /nfs/dbraw/zinc/68/87/98/909688798.db2.gz RCXRTHTWLFWPFR-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001483794877 915071006 /nfs/dbraw/zinc/07/10/06/915071006.db2.gz LYYTXLJTPARSIK-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484094368 915427847 /nfs/dbraw/zinc/42/78/47/915427847.db2.gz OPJUFOGXACQZHF-NVXWUHKLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001484724006 916082193 /nfs/dbraw/zinc/08/21/93/916082193.db2.gz MDBXEPGIJRSZRZ-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485057646 916455516 /nfs/dbraw/zinc/45/55/16/916455516.db2.gz YXPGLFVGVHMBJW-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485057646 916455518 /nfs/dbraw/zinc/45/55/18/916455518.db2.gz YXPGLFVGVHMBJW-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485057646 916455530 /nfs/dbraw/zinc/45/55/30/916455530.db2.gz YXPGLFVGVHMBJW-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001273467827 916644763 /nfs/dbraw/zinc/64/47/63/916644763.db2.gz VZDFUMKAKDDDBX-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485265361 916707596 /nfs/dbraw/zinc/70/75/96/916707596.db2.gz XDIOUPLLGHCKMU-AWEZNQCLSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001485499497 917036403 /nfs/dbraw/zinc/03/64/03/917036403.db2.gz ZGIPCMSLCHKOGX-ZFWWWQNUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001485656963 917164329 /nfs/dbraw/zinc/16/43/29/917164329.db2.gz HEKUMASHKWKJOE-JYJNAYRXSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001485656963 917164340 /nfs/dbraw/zinc/16/43/40/917164340.db2.gz HEKUMASHKWKJOE-JYJNAYRXSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001485656963 917164351 /nfs/dbraw/zinc/16/43/51/917164351.db2.gz HEKUMASHKWKJOE-JYJNAYRXSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568273418 1169216951 /nfs/dbraw/zinc/21/69/51/1169216951.db2.gz LAILGTIGCLOHLL-MGPQQGTHSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001276400465 936627215 /nfs/dbraw/zinc/62/72/15/936627215.db2.gz ZWDYWXYOKPVTFF-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486138503 920744229 /nfs/dbraw/zinc/74/42/29/920744229.db2.gz YBOKHDRXNLJJPM-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001276386592 936714405 /nfs/dbraw/zinc/71/44/05/936714405.db2.gz GHPPRHHTMNHPPG-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001490319292 927122525 /nfs/dbraw/zinc/12/25/25/927122525.db2.gz YNNQVEYFQMFOBM-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001490319292 927122518 /nfs/dbraw/zinc/12/25/18/927122518.db2.gz YNNQVEYFQMFOBM-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001490698567 927306408 /nfs/dbraw/zinc/30/64/08/927306408.db2.gz HQXHZNVGEVFHIS-BPUTZDHNSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[N@H+]1CC)C(C)C ZINC001136650093 931228223 /nfs/dbraw/zinc/22/82/23/931228223.db2.gz PJAWHCFYZIAOMC-JKSUJKDBSA-N 2 1 293.455 1.895 10 30 CDEEMP C=CC[NH+](CC=C)[C@H](CNC(=O)[C@@H]1CC[N@@H+]1CC)C(C)C ZINC001136650093 931228226 /nfs/dbraw/zinc/22/82/26/931228226.db2.gz PJAWHCFYZIAOMC-JKSUJKDBSA-N 2 1 293.455 1.895 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001275697150 931963653 /nfs/dbraw/zinc/96/36/53/931963653.db2.gz FORJJBWTUSJMDO-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275730930 931984234 /nfs/dbraw/zinc/98/42/34/931984234.db2.gz YKMOYZKGDGDKIC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001276262025 932696479 /nfs/dbraw/zinc/69/64/79/932696479.db2.gz SJVTUXNPVCIOBU-HOTGVXAUSA-N 2 1 293.455 1.759 10 30 CDEEMP C[C@@H]([NH2+]C[C@H](O)CC#N)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732565 937751982 /nfs/dbraw/zinc/75/19/82/937751982.db2.gz MTSFHWPWQRVBAT-UMVBOHGHSA-N 2 1 265.401 1.504 10 30 CDEEMP C[C@@H]([NH2+]C[C@H](O)CC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001119732565 937751984 /nfs/dbraw/zinc/75/19/84/937751984.db2.gz MTSFHWPWQRVBAT-UMVBOHGHSA-N 2 1 265.401 1.504 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001330820598 942580598 /nfs/dbraw/zinc/58/05/98/942580598.db2.gz KDACETNBHXVVDR-RRFJBIMHSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001282627395 942733287 /nfs/dbraw/zinc/73/32/87/942733287.db2.gz MTASPEMQBUCBBQ-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282833994 942756610 /nfs/dbraw/zinc/75/66/10/942756610.db2.gz SATDHXBSGHVVJZ-CABCVRRESA-N 2 1 293.455 1.423 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001283063227 942815436 /nfs/dbraw/zinc/81/54/36/942815436.db2.gz VUULKAMJRNYROV-HAQNSBGRSA-N 2 1 292.383 1.020 10 30 CDEEMP C=CC[NH+]1CC[C@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001277539562 942939335 /nfs/dbraw/zinc/93/93/35/942939335.db2.gz XKDHZCHSWFIBFE-INIZCTEOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277539562 942939344 /nfs/dbraw/zinc/93/93/44/942939344.db2.gz XKDHZCHSWFIBFE-INIZCTEOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277539562 942939349 /nfs/dbraw/zinc/93/93/49/942939349.db2.gz XKDHZCHSWFIBFE-INIZCTEOSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001284247392 943130192 /nfs/dbraw/zinc/13/01/92/943130192.db2.gz YZVOGPLVIYFADE-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001263811973 943982454 /nfs/dbraw/zinc/98/24/54/943982454.db2.gz DOVBWZPJJVEYSZ-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001263811973 943982459 /nfs/dbraw/zinc/98/24/59/943982459.db2.gz DOVBWZPJJVEYSZ-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001263811973 943982463 /nfs/dbraw/zinc/98/24/63/943982463.db2.gz DOVBWZPJJVEYSZ-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001263811973 943982470 /nfs/dbraw/zinc/98/24/70/943982470.db2.gz DOVBWZPJJVEYSZ-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001264556541 944148928 /nfs/dbraw/zinc/14/89/28/944148928.db2.gz BIPUIRPSNLFOMK-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094755 944226950 /nfs/dbraw/zinc/22/69/50/944226950.db2.gz JHORLMSPYKULFY-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001265365523 944361186 /nfs/dbraw/zinc/36/11/86/944361186.db2.gz AQQCPVHOQVNPMB-GJZGRUSLSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265595233 944441334 /nfs/dbraw/zinc/44/13/34/944441334.db2.gz VDUDIHZMIRGGME-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265595233 944441340 /nfs/dbraw/zinc/44/13/40/944441340.db2.gz VDUDIHZMIRGGME-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001265595233 944441344 /nfs/dbraw/zinc/44/13/44/944441344.db2.gz VDUDIHZMIRGGME-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265964047 944603150 /nfs/dbraw/zinc/60/31/50/944603150.db2.gz PTGVDYNYYMFFMX-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266042970 944651587 /nfs/dbraw/zinc/65/15/87/944651587.db2.gz RHSFSLBDDDQTSR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266042970 944651589 /nfs/dbraw/zinc/65/15/89/944651589.db2.gz RHSFSLBDDDQTSR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266042970 944651592 /nfs/dbraw/zinc/65/15/92/944651592.db2.gz RHSFSLBDDDQTSR-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266054131 944657244 /nfs/dbraw/zinc/65/72/44/944657244.db2.gz JOHPQWKJJBNOIU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266054131 944657245 /nfs/dbraw/zinc/65/72/45/944657245.db2.gz JOHPQWKJJBNOIU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266054131 944657248 /nfs/dbraw/zinc/65/72/48/944657248.db2.gz JOHPQWKJJBNOIU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001479487185 971332919 /nfs/dbraw/zinc/33/29/19/971332919.db2.gz 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CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC001358137546 969698863 /nfs/dbraw/zinc/69/88/63/969698863.db2.gz BMXKCBJZWHPOHM-MELADBBJSA-N 2 1 297.468 1.366 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC001358137546 969698866 /nfs/dbraw/zinc/69/88/66/969698866.db2.gz BMXKCBJZWHPOHM-MELADBBJSA-N 2 1 297.468 1.366 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001495749453 972619504 /nfs/dbraw/zinc/61/95/04/972619504.db2.gz HJNRSWJQNLNISM-AWEZNQCLSA-N 2 1 290.411 1.372 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001496299085 972879017 /nfs/dbraw/zinc/87/90/17/972879017.db2.gz GXADBEZXUBOVRT-HUUCEWRRSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001498282608 973806612 /nfs/dbraw/zinc/80/66/12/973806612.db2.gz KJCJAVNBLKUNBA-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001498380274 973874556 /nfs/dbraw/zinc/87/45/56/973874556.db2.gz GIKZVUNSXJBHAZ-CYBMUJFWSA-N 2 1 269.433 1.587 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001498380274 973874562 /nfs/dbraw/zinc/87/45/62/973874562.db2.gz GIKZVUNSXJBHAZ-CYBMUJFWSA-N 2 1 269.433 1.587 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001498380274 973874569 /nfs/dbraw/zinc/87/45/69/973874569.db2.gz GIKZVUNSXJBHAZ-CYBMUJFWSA-N 2 1 269.433 1.587 10 30 CDEEMP C#CCC[NH+]1CCC(C)(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001569706746 1169970569 /nfs/dbraw/zinc/97/05/69/1169970569.db2.gz WIKUKMKKEFKWFS-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001569724148 1169975741 /nfs/dbraw/zinc/97/57/41/1169975741.db2.gz QIHJFVPLJGOMLM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001569724148 1169975748 /nfs/dbraw/zinc/97/57/48/1169975748.db2.gz QIHJFVPLJGOMLM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001569724148 1169975752 /nfs/dbraw/zinc/97/57/52/1169975752.db2.gz QIHJFVPLJGOMLM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001500441566 974437715 /nfs/dbraw/zinc/43/77/15/974437715.db2.gz HSSQCDOCMMSNGB-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001500505307 974445868 /nfs/dbraw/zinc/44/58/68/974445868.db2.gz MLQLNLZQHRKMHA-GDBMZVCRSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001502401376 974734367 /nfs/dbraw/zinc/73/43/67/974734367.db2.gz LQEPJZGAHJPFFW-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001502401376 974734377 /nfs/dbraw/zinc/73/43/77/974734377.db2.gz LQEPJZGAHJPFFW-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001502401376 974734381 /nfs/dbraw/zinc/73/43/81/974734381.db2.gz LQEPJZGAHJPFFW-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001505943568 975052382 /nfs/dbraw/zinc/05/23/82/975052382.db2.gz KQQKADOKJWDQQN-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001506059451 975104565 /nfs/dbraw/zinc/10/45/65/975104565.db2.gz ZPHNLWIBMPZADP-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001506059451 975104572 /nfs/dbraw/zinc/10/45/72/975104572.db2.gz ZPHNLWIBMPZADP-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001507415674 975460144 /nfs/dbraw/zinc/46/01/44/975460144.db2.gz LKCRHKORTIESDQ-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407027543 976517556 /nfs/dbraw/zinc/51/75/56/976517556.db2.gz KEAQMHJOQXXLNO-HNNXBMFYSA-N 2 1 299.846 1.615 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001407027543 976517567 /nfs/dbraw/zinc/51/75/67/976517567.db2.gz KEAQMHJOQXXLNO-HNNXBMFYSA-N 2 1 299.846 1.615 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001675025409 1174063554 /nfs/dbraw/zinc/06/35/54/1174063554.db2.gz SHNHZHMSGAONMX-AWEZNQCLSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001676754939 1174267272 /nfs/dbraw/zinc/26/72/72/1174267272.db2.gz HXRRDIMEOQGXPA-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001570217879 1170112842 /nfs/dbraw/zinc/11/28/42/1170112842.db2.gz DDZNMQWWZRHYHB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001570217879 1170112846 /nfs/dbraw/zinc/11/28/46/1170112846.db2.gz DDZNMQWWZRHYHB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001570217879 1170112852 /nfs/dbraw/zinc/11/28/52/1170112852.db2.gz DDZNMQWWZRHYHB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001570359706 1170139502 /nfs/dbraw/zinc/13/95/02/1170139502.db2.gz ZVMIIOMOBQLUFN-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001570637253 1170218326 /nfs/dbraw/zinc/21/83/26/1170218326.db2.gz SSQZDOHNRMZZNR-ZIAGYGMSSA-N 2 1 290.411 1.513 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570907996 1170317725 /nfs/dbraw/zinc/31/77/25/1170317725.db2.gz SJLDGVRPWDPQRD-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438277 342906442 /nfs/dbraw/zinc/90/64/42/342906442.db2.gz IFKUBLSWMYSBGU-QLFBSQMISA-N 2 1 292.427 1.483 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000595908176 343188924 /nfs/dbraw/zinc/18/89/24/343188924.db2.gz ZKINSSOEPOBGPG-RBSFLKMASA-N 2 1 265.401 1.721 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000595908176 343188926 /nfs/dbraw/zinc/18/89/26/343188926.db2.gz ZKINSSOEPOBGPG-RBSFLKMASA-N 2 1 265.401 1.721 10 30 CDEEMP CN(CCC[N@@H+](C)Cc1ccnc(C#N)c1)CC[NH+](C)C ZINC000588977264 342446356 /nfs/dbraw/zinc/44/63/56/342446356.db2.gz IDINWPPRQRUSRJ-UHFFFAOYSA-N 2 1 289.427 1.269 10 30 CDEEMP C=C(C)CN(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665760970 538414225 /nfs/dbraw/zinc/41/42/25/538414225.db2.gz TXYIFIQWZMGQJL-AWEZNQCLSA-N 2 1 284.448 1.476 10 30 CDEEMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492890 363594723 /nfs/dbraw/zinc/59/47/23/363594723.db2.gz WLFFJNMSGKMFAH-QGZVFWFLSA-N 2 1 295.390 1.734 10 30 CDEEMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394107 367822768 /nfs/dbraw/zinc/82/27/68/367822768.db2.gz XNTZKYPEVGDUON-HZPDHXFCSA-N 2 1 291.439 1.849 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661740276 1172438370 /nfs/dbraw/zinc/43/83/70/1172438370.db2.gz YDIBTRSNMPOUKT-HUUCEWRRSA-N 2 1 281.444 1.587 10 30 CDEEMP C[NH+](C)CC#CC#CC[N@@H+]1CCc2ccccc2C1 ZINC000584623887 374320495 /nfs/dbraw/zinc/32/04/95/374320495.db2.gz BWXVGLXZVJTTFP-UHFFFAOYSA-N 2 1 252.361 1.613 10 30 CDEEMP C[NH+](C)CC#CC#CC[N@H+]1CCc2ccccc2C1 ZINC000584623887 374320501 /nfs/dbraw/zinc/32/05/01/374320501.db2.gz BWXVGLXZVJTTFP-UHFFFAOYSA-N 2 1 252.361 1.613 10 30 CDEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001664754817 1172904453 /nfs/dbraw/zinc/90/44/53/1172904453.db2.gz IRWSRTXCYOKOJF-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001664754817 1172904458 /nfs/dbraw/zinc/90/44/58/1172904458.db2.gz IRWSRTXCYOKOJF-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001664754817 1172904463 /nfs/dbraw/zinc/90/44/63/1172904463.db2.gz IRWSRTXCYOKOJF-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690871 413319301 /nfs/dbraw/zinc/31/93/01/413319301.db2.gz CGHSXKNHPITEPV-ZBFHGGJFSA-N 2 1 279.428 1.531 10 30 CDEEMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000040599838 174350564 /nfs/dbraw/zinc/35/05/64/174350564.db2.gz IZRLYTOIXXZRNN-HNNXBMFYSA-N 2 1 273.380 1.868 10 30 CDEEMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000040599838 174350566 /nfs/dbraw/zinc/35/05/66/174350566.db2.gz IZRLYTOIXXZRNN-HNNXBMFYSA-N 2 1 273.380 1.868 10 30 CDEEMP CCCC[N@@H+](CCO)Cc1sccc1C#CC[NH3+] ZINC000043683870 175091703 /nfs/dbraw/zinc/09/17/03/175091703.db2.gz YCVZRSGTHOKOHA-UHFFFAOYSA-N 2 1 266.410 1.653 10 30 CDEEMP CC[N@H+](CCCC[C@@](C)([NH3+])C#N)C[C@@H]1CCCO1 ZINC000045315153 175357769 /nfs/dbraw/zinc/35/77/69/175357769.db2.gz YZQCTWYIABSNCX-UONOGXRCSA-N 2 1 253.390 1.899 10 30 CDEEMP CC[N@@H+](CCCC[C@@](C)([NH3+])C#N)C[C@@H]1CCCO1 ZINC000045315153 175357770 /nfs/dbraw/zinc/35/77/70/175357770.db2.gz YZQCTWYIABSNCX-UONOGXRCSA-N 2 1 253.390 1.899 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190470 176066950 /nfs/dbraw/zinc/06/69/50/176066950.db2.gz FWHLWTFPCCLAGU-CYBMUJFWSA-N 2 1 277.437 1.442 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CC[NH+](C)C1 ZINC000071190470 176066951 /nfs/dbraw/zinc/06/69/51/176066951.db2.gz FWHLWTFPCCLAGU-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CC[NH+](C)C1 ZINC000071190470 176066952 /nfs/dbraw/zinc/06/69/52/176066952.db2.gz FWHLWTFPCCLAGU-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190470 176066954 /nfs/dbraw/zinc/06/69/54/176066954.db2.gz FWHLWTFPCCLAGU-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190470 176066955 /nfs/dbraw/zinc/06/69/55/176066955.db2.gz FWHLWTFPCCLAGU-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001671432781 1173682614 /nfs/dbraw/zinc/68/26/14/1173682614.db2.gz YIHIQFXMNXPYOK-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001671673507 1173702654 /nfs/dbraw/zinc/70/26/54/1173702654.db2.gz JFJMUIRZDIRGRP-DOTOQJQBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725470229 1159242028 /nfs/dbraw/zinc/24/20/28/1159242028.db2.gz LIGHMQBSBVTTMU-UKRRQHHQSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]C(C)C)C1 ZINC001733427234 1161411385 /nfs/dbraw/zinc/41/13/85/1161411385.db2.gz OUCPQPJBUVVMOY-DOTOQJQBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]C(C)C)C1 ZINC001733427234 1161411386 /nfs/dbraw/zinc/41/13/86/1161411386.db2.gz OUCPQPJBUVVMOY-DOTOQJQBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001486450852 1161455852 /nfs/dbraw/zinc/45/58/52/1161455852.db2.gz QDHVTDQNUHKWDQ-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001732956563 1183203946 /nfs/dbraw/zinc/20/39/46/1183203946.db2.gz JPTZRZAGAGBGDY-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001734045383 1183632609 /nfs/dbraw/zinc/63/26/09/1183632609.db2.gz SKVVYEJVOOXTRF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001734045383 1183632612 /nfs/dbraw/zinc/63/26/12/1183632612.db2.gz SKVVYEJVOOXTRF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP CC[N@H+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CCCO1 ZINC000049609562 521338203 /nfs/dbraw/zinc/33/82/03/521338203.db2.gz ANFVNNDQKRIHTM-KRWDZBQOSA-N 2 1 272.392 1.998 10 30 CDEEMP COCC[N@@H+](Cc1ccc(C#CC[NH3+])cc1)C1CC1 ZINC000049609702 523741738 /nfs/dbraw/zinc/74/17/38/523741738.db2.gz VTSFLNGBCXSOOS-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP COc1ccc(C[N@@H+](C)[C@H]2CCSC2)cc1C#CC[NH3+] ZINC000049609002 524011001 /nfs/dbraw/zinc/01/10/01/524011001.db2.gz OVRYAEMUZRYEMG-HNNXBMFYSA-N 2 1 290.432 1.943 10 30 CDEEMP [NH3+]CC#Cc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1F ZINC000049609818 527147620 /nfs/dbraw/zinc/14/76/20/527147620.db2.gz MIYPMCQKEXBUHX-CQSZACIVSA-N 2 1 262.328 1.093 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCCC[C@H]1CO ZINC000049609778 527153347 /nfs/dbraw/zinc/15/33/47/527153347.db2.gz MZLWUINDZOLCFR-INIZCTEOSA-N 2 1 258.365 1.344 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N2CC[C@@H]([N@H+](C)CC)C2)CC1 ZINC001678389722 1174436293 /nfs/dbraw/zinc/43/62/93/1174436293.db2.gz BICUUYRWYXEWCU-OAHLLOKOSA-N 2 1 294.443 1.372 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001688979824 1175078801 /nfs/dbraw/zinc/07/88/01/1175078801.db2.gz KANQDCHNBIDQJU-QKPAOTATSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000939237599 613875032 /nfs/dbraw/zinc/87/50/32/613875032.db2.gz WDWQUCITOCBSCZ-KGLIPLIRSA-N 2 1 290.411 1.629 10 30 CDEEMP C#C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000934510807 617613654 /nfs/dbraw/zinc/61/36/54/617613654.db2.gz LOJWFXVIVCUVNQ-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000934510807 617613660 /nfs/dbraw/zinc/61/36/60/617613660.db2.gz LOJWFXVIVCUVNQ-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000900658158 623338651 /nfs/dbraw/zinc/33/86/51/623338651.db2.gz HEBHANOYTFLDBU-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000900880355 623601761 /nfs/dbraw/zinc/60/17/61/623601761.db2.gz IPUNZSHTQCINGO-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[C@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903934052 626153544 /nfs/dbraw/zinc/15/35/44/626153544.db2.gz ZMTXWNFEMMEYKY-LSDHHAIUSA-N 2 1 289.427 1.991 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+](C)CCCC ZINC000908259649 628097059 /nfs/dbraw/zinc/09/70/59/628097059.db2.gz VQFUTSAVFBKBPV-CQSZACIVSA-N 2 1 269.433 1.731 10 30 CDEEMP C[N@H+]1CCC[C@@H]1CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C ZINC000912509238 630049055 /nfs/dbraw/zinc/04/90/55/630049055.db2.gz YFUPLFKUQVANAF-KGLIPLIRSA-N 2 1 296.459 1.593 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267667241 1159562202 /nfs/dbraw/zinc/56/22/02/1159562202.db2.gz QJOHHYMIXVWKPF-ZIAGYGMSSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)C[NH+](C)C1CCC1 ZINC001566460770 1168286850 /nfs/dbraw/zinc/28/68/50/1168286850.db2.gz CESZOVOTXPSIBH-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001566460770 1168286854 /nfs/dbraw/zinc/28/68/54/1168286854.db2.gz CESZOVOTXPSIBH-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001568129739 1169141730 /nfs/dbraw/zinc/14/17/30/1169141730.db2.gz HYGUEPXCWPJUTK-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001649451086 1169259698 /nfs/dbraw/zinc/25/96/98/1169259698.db2.gz AWGLVGVDLXIRAC-KGLIPLIRSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001649451086 1169259705 /nfs/dbraw/zinc/25/97/05/1169259705.db2.gz AWGLVGVDLXIRAC-KGLIPLIRSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001570740080 1170263649 /nfs/dbraw/zinc/26/36/49/1170263649.db2.gz LDOZWOACSZZRBM-JKSUJKDBSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001570740078 1170265543 /nfs/dbraw/zinc/26/55/43/1170265543.db2.gz LDOZWOACSZZRBM-HOTGVXAUSA-N 2 1 293.455 1.709 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001570748365 1170269186 /nfs/dbraw/zinc/26/91/86/1170269186.db2.gz YKKUYFVKKQBTFX-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001570748365 1170269191 /nfs/dbraw/zinc/26/91/91/1170269191.db2.gz YKKUYFVKKQBTFX-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001570748365 1170269197 /nfs/dbraw/zinc/26/91/97/1170269197.db2.gz YKKUYFVKKQBTFX-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001660753789 1172271901 /nfs/dbraw/zinc/27/19/01/1172271901.db2.gz YUPZGOQUZQTZMS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001660753789 1172271935 /nfs/dbraw/zinc/27/19/35/1172271935.db2.gz YUPZGOQUZQTZMS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001660753789 1172271940 /nfs/dbraw/zinc/27/19/40/1172271940.db2.gz YUPZGOQUZQTZMS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001664806664 1172914063 /nfs/dbraw/zinc/91/40/63/1172914063.db2.gz ISOCDQAOBFTYCL-GDBMZVCRSA-N 2 1 291.439 1.295 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001667203895 1173245076 /nfs/dbraw/zinc/24/50/76/1173245076.db2.gz MQPQIMPCAABEHO-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001667695220 1173311216 /nfs/dbraw/zinc/31/12/16/1173311216.db2.gz VLICFXAGIUVJPF-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667695220 1173311223 /nfs/dbraw/zinc/31/12/23/1173311223.db2.gz VLICFXAGIUVJPF-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667695220 1173311229 /nfs/dbraw/zinc/31/12/29/1173311229.db2.gz VLICFXAGIUVJPF-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001669485715 1173555046 /nfs/dbraw/zinc/55/50/46/1173555046.db2.gz NGCAGMHPKIBSQQ-OAHLLOKOSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001669485715 1173555050 /nfs/dbraw/zinc/55/50/50/1173555050.db2.gz NGCAGMHPKIBSQQ-OAHLLOKOSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001690407379 1175464535 /nfs/dbraw/zinc/46/45/35/1175464535.db2.gz JIHWBTQAWPTELC-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001690501537 1175483331 /nfs/dbraw/zinc/48/33/31/1175483331.db2.gz MMUCTHAMQQMKIH-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001690866906 1175595514 /nfs/dbraw/zinc/59/55/14/1175595514.db2.gz FFOAVWPPYFCPGU-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001692020754 1175667466 /nfs/dbraw/zinc/66/74/66/1175667466.db2.gz LRRQVLHPBFXEBT-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001698609437 1175870705 /nfs/dbraw/zinc/87/07/05/1175870705.db2.gz FALIJSNFNIWKFJ-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001698862103 1175969265 /nfs/dbraw/zinc/96/92/65/1175969265.db2.gz UEEPZLQEAXHDJJ-GOEBONIOSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001698945227 1175991691 /nfs/dbraw/zinc/99/16/91/1175991691.db2.gz GNWRHTBBDGHQFO-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001698991725 1176021526 /nfs/dbraw/zinc/02/15/26/1176021526.db2.gz UANYCXUNXJHMCO-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001698991725 1176021533 /nfs/dbraw/zinc/02/15/33/1176021533.db2.gz UANYCXUNXJHMCO-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001698991725 1176021541 /nfs/dbraw/zinc/02/15/41/1176021541.db2.gz UANYCXUNXJHMCO-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001699003196 1176033882 /nfs/dbraw/zinc/03/38/82/1176033882.db2.gz USORSNNQRODGMI-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001699003196 1176033890 /nfs/dbraw/zinc/03/38/90/1176033890.db2.gz USORSNNQRODGMI-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001699003196 1176033898 /nfs/dbraw/zinc/03/38/98/1176033898.db2.gz USORSNNQRODGMI-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001699021125 1176046290 /nfs/dbraw/zinc/04/62/90/1176046290.db2.gz OOQFMPNKEKOXFS-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001699185225 1176131665 /nfs/dbraw/zinc/13/16/65/1176131665.db2.gz XLLPNEAYVJSLHN-AWEZNQCLSA-N 2 1 290.411 1.468 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001699384386 1176344408 /nfs/dbraw/zinc/34/44/08/1176344408.db2.gz YVMMODYJRZCQDN-CYBMUJFWSA-N 2 1 299.378 1.551 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccn2c(C)cnc2c1 ZINC001699441817 1176405077 /nfs/dbraw/zinc/40/50/77/1176405077.db2.gz MRLXJJXTTKXHID-LBPRGKRZSA-N 2 1 286.379 1.879 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634600 1176529464 /nfs/dbraw/zinc/52/94/64/1176529464.db2.gz SHRJCLHVJAIGTB-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)CC1 ZINC001699666064 1176559307 /nfs/dbraw/zinc/55/93/07/1176559307.db2.gz OTPBLIRSPGWIPX-GJZGRUSLSA-N 2 1 289.423 1.265 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001699760447 1176610306 /nfs/dbraw/zinc/61/03/06/1176610306.db2.gz LCTDDJMLHLWXLK-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001700487923 1176978559 /nfs/dbraw/zinc/97/85/59/1176978559.db2.gz OPYQJRZBVVISTB-HNNXBMFYSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001700487923 1176978562 /nfs/dbraw/zinc/97/85/62/1176978562.db2.gz OPYQJRZBVVISTB-HNNXBMFYSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001700487923 1176978566 /nfs/dbraw/zinc/97/85/66/1176978566.db2.gz OPYQJRZBVVISTB-HNNXBMFYSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001700487923 1176978571 /nfs/dbraw/zinc/97/85/71/1176978571.db2.gz OPYQJRZBVVISTB-HNNXBMFYSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001700888924 1177179729 /nfs/dbraw/zinc/17/97/29/1177179729.db2.gz RPGLOKREWZBCNK-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001707056516 1177931747 /nfs/dbraw/zinc/93/17/47/1177931747.db2.gz SWLVJXVWYHQMOS-JKSUJKDBSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001707056516 1177931754 /nfs/dbraw/zinc/93/17/54/1177931754.db2.gz SWLVJXVWYHQMOS-JKSUJKDBSA-N 2 1 293.455 1.663 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713310458 1178489112 /nfs/dbraw/zinc/48/91/12/1178489112.db2.gz VAWXONWIJMJZDS-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713512883 1178618367 /nfs/dbraw/zinc/61/83/67/1178618367.db2.gz UNEMWSIJCXOGGQ-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713551696 1178641167 /nfs/dbraw/zinc/64/11/67/1178641167.db2.gz XAQFEGOWOIZJMV-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713756462 1178740132 /nfs/dbraw/zinc/74/01/32/1178740132.db2.gz WYZQILQVLGCMGM-HZPDHXFCSA-N 2 1 295.471 1.929 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001713935968 1178862637 /nfs/dbraw/zinc/86/26/37/1178862637.db2.gz KGVWLTGTWBYZKI-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714003718 1178922766 /nfs/dbraw/zinc/92/27/66/1178922766.db2.gz KDPNOLASIJHENV-HUUCEWRRSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714003719 1178924291 /nfs/dbraw/zinc/92/42/91/1178924291.db2.gz KDPNOLASIJHENV-LSDHHAIUSA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714040616 1178941224 /nfs/dbraw/zinc/94/12/24/1178941224.db2.gz AIWWQADWLDYVAQ-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714201490 1179012249 /nfs/dbraw/zinc/01/22/49/1179012249.db2.gz RCZPWDHOBGMLQO-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001714906509 1179447158 /nfs/dbraw/zinc/44/71/58/1179447158.db2.gz ROEGKHPWPZALSH-CVEARBPZSA-N 2 1 293.455 1.376 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001715146976 1179564613 /nfs/dbraw/zinc/56/46/13/1179564613.db2.gz RDQGVOWWRRBMCI-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001715236186 1179590510 /nfs/dbraw/zinc/59/05/10/1179590510.db2.gz RLSCICZCIQLTLC-BFHYXJOUSA-N 2 1 290.411 1.821 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001715362245 1179642767 /nfs/dbraw/zinc/64/27/67/1179642767.db2.gz VCUZNBAXFWIKSB-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl ZINC001715653418 1179753142 /nfs/dbraw/zinc/75/31/42/1179753142.db2.gz NMUOZPBRIFSRQI-NSDHSQQOSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/Cl ZINC001715653418 1179753148 /nfs/dbraw/zinc/75/31/48/1179753148.db2.gz NMUOZPBRIFSRQI-NSDHSQQOSA-N 2 1 297.830 1.321 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001715775896 1179799925 /nfs/dbraw/zinc/79/99/25/1179799925.db2.gz AIOGBYLHRINUFZ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715825993 1179851423 /nfs/dbraw/zinc/85/14/23/1179851423.db2.gz IBIBWDPZYUXIRF-ZRUQZJFASA-N 2 1 265.401 1.309 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001716464389 1180224947 /nfs/dbraw/zinc/22/49/47/1180224947.db2.gz OFDCUMUTKSGSSO-STQMWFEESA-N 2 1 278.400 1.641 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001716485679 1180246544 /nfs/dbraw/zinc/24/65/44/1180246544.db2.gz WOJRXBUVJHAIFH-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001716485679 1180246547 /nfs/dbraw/zinc/24/65/47/1180246547.db2.gz WOJRXBUVJHAIFH-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001716549961 1180280383 /nfs/dbraw/zinc/28/03/83/1180280383.db2.gz NONJRLUZQTUXEX-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001716585443 1180294738 /nfs/dbraw/zinc/29/47/38/1180294738.db2.gz OARMACVPUXVZBT-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716665724 1180353299 /nfs/dbraw/zinc/35/32/99/1180353299.db2.gz RYSNLEVINFPYHP-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716665724 1180353304 /nfs/dbraw/zinc/35/33/04/1180353304.db2.gz RYSNLEVINFPYHP-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001716850837 1180440387 /nfs/dbraw/zinc/44/03/87/1180440387.db2.gz RNTPCWZJKGKMFQ-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001716850837 1180440393 /nfs/dbraw/zinc/44/03/93/1180440393.db2.gz RNTPCWZJKGKMFQ-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001716850837 1180440396 /nfs/dbraw/zinc/44/03/96/1180440396.db2.gz RNTPCWZJKGKMFQ-INIZCTEOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001717105588 1180531573 /nfs/dbraw/zinc/53/15/73/1180531573.db2.gz WVQNNQRSZGAQES-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H](F)CC ZINC001717340908 1180623482 /nfs/dbraw/zinc/62/34/82/1180623482.db2.gz FJBJTJNXWDGLDA-ZNMIVQPWSA-N 2 1 297.418 1.317 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@H](F)CC ZINC001717340908 1180623485 /nfs/dbraw/zinc/62/34/85/1180623485.db2.gz FJBJTJNXWDGLDA-ZNMIVQPWSA-N 2 1 297.418 1.317 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717453538 1180679436 /nfs/dbraw/zinc/67/94/36/1180679436.db2.gz SXHLFWWVXBNGTC-HUUCEWRRSA-N 2 1 293.455 1.424 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717682521 1180789747 /nfs/dbraw/zinc/78/97/47/1180789747.db2.gz VHIQAAHYLXUWQB-PMPSAXMXSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457742 1181566965 /nfs/dbraw/zinc/56/69/65/1181566965.db2.gz LVGFAPFXMQWGMO-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457742 1181566967 /nfs/dbraw/zinc/56/69/67/1181566967.db2.gz LVGFAPFXMQWGMO-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001723457742 1181566971 /nfs/dbraw/zinc/56/69/71/1181566971.db2.gz LVGFAPFXMQWGMO-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001723457742 1181566973 /nfs/dbraw/zinc/56/69/73/1181566973.db2.gz LVGFAPFXMQWGMO-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724233332 1181657538 /nfs/dbraw/zinc/65/75/38/1181657538.db2.gz LWXGPGWODPEGCE-INIZCTEOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001724785609 1181753459 /nfs/dbraw/zinc/75/34/59/1181753459.db2.gz IQEODGIJNZDBKL-AWEZNQCLSA-N 2 1 279.428 1.674 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C)CCC1 ZINC001724789852 1181754803 /nfs/dbraw/zinc/75/48/03/1181754803.db2.gz WYEVEKHUALPCDS-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)CCC ZINC001725145414 1181882590 /nfs/dbraw/zinc/88/25/90/1181882590.db2.gz CYQZYYWASROISV-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C#CC[NH2+][C@H](CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001725210978 1181924182 /nfs/dbraw/zinc/92/41/82/1181924182.db2.gz AFQBFQPZZZAMIF-JKSUJKDBSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001725383556 1181982780 /nfs/dbraw/zinc/98/27/80/1181982780.db2.gz BLGTZTWZYGAZET-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(C)C ZINC001725386816 1181984315 /nfs/dbraw/zinc/98/43/15/1181984315.db2.gz GOCUCGCXATYOIE-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC(C)C ZINC001725386816 1181984319 /nfs/dbraw/zinc/98/43/19/1181984319.db2.gz GOCUCGCXATYOIE-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001725732371 1182115777 /nfs/dbraw/zinc/11/57/77/1182115777.db2.gz JJYHAKIVVOVWJJ-OAHLLOKOSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001725732371 1182115780 /nfs/dbraw/zinc/11/57/80/1182115780.db2.gz JJYHAKIVVOVWJJ-OAHLLOKOSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[N@@H+](C)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001725732371 1182115783 /nfs/dbraw/zinc/11/57/83/1182115783.db2.gz JJYHAKIVVOVWJJ-OAHLLOKOSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)[C@H]1C[NH+](CC)CCO1)C(C)C ZINC001725732371 1182115787 /nfs/dbraw/zinc/11/57/87/1182115787.db2.gz JJYHAKIVVOVWJJ-OAHLLOKOSA-N 2 1 297.443 1.062 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001725863330 1182148033 /nfs/dbraw/zinc/14/80/33/1182148033.db2.gz SKYFTCJZMQQWOF-UHFFFAOYSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731270971 1182287628 /nfs/dbraw/zinc/28/76/28/1182287628.db2.gz FMMIORSSHFCHNR-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731270971 1182287635 /nfs/dbraw/zinc/28/76/35/1182287635.db2.gz FMMIORSSHFCHNR-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001731270971 1182287640 /nfs/dbraw/zinc/28/76/40/1182287640.db2.gz FMMIORSSHFCHNR-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001731311878 1182312124 /nfs/dbraw/zinc/31/21/24/1182312124.db2.gz XVSQPMPPGUWYKZ-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001731492649 1182419179 /nfs/dbraw/zinc/41/91/79/1182419179.db2.gz DJYBYKQSGKGCKC-BBWFWOEESA-N 2 1 299.418 1.549 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001731882557 1182649927 /nfs/dbraw/zinc/64/99/27/1182649927.db2.gz QLEHXTRAQWOMQO-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CC1 ZINC001731882557 1182649934 /nfs/dbraw/zinc/64/99/34/1182649934.db2.gz QLEHXTRAQWOMQO-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001732048862 1182739549 /nfs/dbraw/zinc/73/95/49/1182739549.db2.gz LCNREPPZWBBHNA-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001732048862 1182739554 /nfs/dbraw/zinc/73/95/54/1182739554.db2.gz LCNREPPZWBBHNA-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001732048862 1182739561 /nfs/dbraw/zinc/73/95/61/1182739561.db2.gz LCNREPPZWBBHNA-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001732387347 1182941972 /nfs/dbraw/zinc/94/19/72/1182941972.db2.gz PMWDPYGCJFSBRO-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001732387347 1182941976 /nfs/dbraw/zinc/94/19/76/1182941976.db2.gz PMWDPYGCJFSBRO-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001732387347 1182941980 /nfs/dbraw/zinc/94/19/80/1182941980.db2.gz PMWDPYGCJFSBRO-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001733109112 1183294452 /nfs/dbraw/zinc/29/44/52/1183294452.db2.gz VDERTRVMQZABEB-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](F)CC ZINC001733107310 1183294472 /nfs/dbraw/zinc/29/44/72/1183294472.db2.gz UWCDSGQNTGAARX-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@@H](F)CC ZINC001733107310 1183294478 /nfs/dbraw/zinc/29/44/78/1183294478.db2.gz UWCDSGQNTGAARX-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001733227312 1183353812 /nfs/dbraw/zinc/35/38/12/1183353812.db2.gz WYMOMHUCVNFPMS-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001733227312 1183353818 /nfs/dbraw/zinc/35/38/18/1183353818.db2.gz WYMOMHUCVNFPMS-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001733413011 1183425826 /nfs/dbraw/zinc/42/58/26/1183425826.db2.gz SWAXFDDOSVBENQ-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001733462646 1183439228 /nfs/dbraw/zinc/43/92/28/1183439228.db2.gz OFSCBIFPZMPDNN-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001733462646 1183439232 /nfs/dbraw/zinc/43/92/32/1183439232.db2.gz OFSCBIFPZMPDNN-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001733462646 1183439237 /nfs/dbraw/zinc/43/92/37/1183439237.db2.gz OFSCBIFPZMPDNN-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733931143 1183574233 /nfs/dbraw/zinc/57/42/33/1183574233.db2.gz WMKCVCVUUBKKQQ-HZPDHXFCSA-N 2 1 291.439 1.437 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001733978079 1183597430 /nfs/dbraw/zinc/59/74/30/1183597430.db2.gz IFDDATCFAJJKIX-VXGBXAGGSA-N 2 1 294.399 1.409 10 30 CDEEMP C#CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001734045383 1183632605 /nfs/dbraw/zinc/63/26/05/1183632605.db2.gz SKVVYEJVOOXTRF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001734555057 1183824033 /nfs/dbraw/zinc/82/40/33/1183824033.db2.gz YJUQFAJSGATIHL-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001734557517 1183825419 /nfs/dbraw/zinc/82/54/19/1183825419.db2.gz YWIQUTOHGXWBCU-KGLIPLIRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001734557517 1183825420 /nfs/dbraw/zinc/82/54/20/1183825420.db2.gz YWIQUTOHGXWBCU-KGLIPLIRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000876901101 1165937128 /nfs/dbraw/zinc/93/71/28/1165937128.db2.gz ZEXUAXMWFIRNLC-AGIUHOORSA-N 2 1 285.819 1.399 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001691743091 1166888124 /nfs/dbraw/zinc/88/81/24/1166888124.db2.gz VQSBCUPJLLLTMJ-GASCZTMLSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001569145305 1167553073 /nfs/dbraw/zinc/55/30/73/1167553073.db2.gz GGXVWEOUEDAGBV-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001571356932 1167591110 /nfs/dbraw/zinc/59/11/10/1167591110.db2.gz BGTLMUMRMVLXFE-ZIAGYGMSSA-N 2 1 265.401 1.093 10 30 CDEEMP C#CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863540512 843806149 /nfs/dbraw/zinc/80/61/49/843806149.db2.gz FDBGJRKXGUMSFT-CQSZACIVSA-N 2 1 288.391 1.857 10 30 CDEEMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000712555981 845054815 /nfs/dbraw/zinc/05/48/15/845054815.db2.gz CEJPYDYDJLVYSS-HNNXBMFYSA-N 2 1 273.380 1.666 10 30 CDEEMP CC1(C)CC[NH2+]CC[N@H+]1C[C@H](O)c1ccc(C#N)cc1 ZINC000712555981 845054825 /nfs/dbraw/zinc/05/48/25/845054825.db2.gz CEJPYDYDJLVYSS-HNNXBMFYSA-N 2 1 273.380 1.666 10 30 CDEEMP CC[NH+]=C(NCC(F)F)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262015766 845378610 /nfs/dbraw/zinc/37/86/10/845378610.db2.gz XREAVGOHOCCESA-GHMZBOCLSA-N 2 1 276.375 1.535 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@]1(C)CCCS1 ZINC000261941670 846207821 /nfs/dbraw/zinc/20/78/21/846207821.db2.gz DQGGBIRLBHUOSI-DZGCQCFKSA-N 2 1 298.500 1.921 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000876764174 846537103 /nfs/dbraw/zinc/53/71/03/846537103.db2.gz KOPYLUSETVTCLZ-VWYCJHECSA-N 2 1 259.781 1.055 10 30 CDEEMP C#C[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934516258 846741622 /nfs/dbraw/zinc/74/16/22/846741622.db2.gz FFXSZTDQNREDKE-QGZVFWFLSA-N 2 1 277.456 1.890 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261972889 847220182 /nfs/dbraw/zinc/22/01/82/847220182.db2.gz NEQRAIIAIAPVKG-GXTWGEPZSA-N 2 1 266.433 1.823 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCC[N@H+](C)CC(C)C ZINC000846291152 847699432 /nfs/dbraw/zinc/69/94/32/847699432.db2.gz JGPVLJYXIPAZGT-UHFFFAOYSA-N 2 1 255.406 1.198 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001502754780 1167775322 /nfs/dbraw/zinc/77/53/22/1167775322.db2.gz XBYVDUMMCIMNQQ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001566875058 1168039362 /nfs/dbraw/zinc/03/93/62/1168039362.db2.gz NSWGGQOGHDJJMN-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001566875058 1168039369 /nfs/dbraw/zinc/03/93/69/1168039369.db2.gz NSWGGQOGHDJJMN-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001566498226 1168310184 /nfs/dbraw/zinc/31/01/84/1168310184.db2.gz YADPBYQWWWCTNH-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001566498226 1168310190 /nfs/dbraw/zinc/31/01/90/1168310190.db2.gz YADPBYQWWWCTNH-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001566498226 1168310195 /nfs/dbraw/zinc/31/01/95/1168310195.db2.gz YADPBYQWWWCTNH-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001272331752 912816305 /nfs/dbraw/zinc/81/63/05/912816305.db2.gz KGUDXRGYLFXBIW-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCC[NH2+][C@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001567177655 1168606963 /nfs/dbraw/zinc/60/69/63/1168606963.db2.gz GCLREAOVSIZKRJ-LSDHHAIUSA-N 2 1 290.411 1.785 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567198819 1168616244 /nfs/dbraw/zinc/61/62/44/1168616244.db2.gz PCWGVSWOSASETJ-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001567291228 1168662996 /nfs/dbraw/zinc/66/29/96/1168662996.db2.gz YIXSLFUPCDZBLM-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CC[N@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266551291 895330609 /nfs/dbraw/zinc/33/06/09/895330609.db2.gz PAGXJWFGMTWURI-WBVHZDCISA-N 2 1 299.418 1.361 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001266551291 895330622 /nfs/dbraw/zinc/33/06/22/895330622.db2.gz PAGXJWFGMTWURI-WBVHZDCISA-N 2 1 299.418 1.361 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001267195583 897109225 /nfs/dbraw/zinc/10/92/25/897109225.db2.gz GMMWDUJBGPKFRD-HNNXBMFYSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267496176 898155344 /nfs/dbraw/zinc/15/53/44/898155344.db2.gz OHYMCRPOAAGTKG-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267496176 898155347 /nfs/dbraw/zinc/15/53/47/898155347.db2.gz OHYMCRPOAAGTKG-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267806420 899774773 /nfs/dbraw/zinc/77/47/73/899774773.db2.gz NQMGKOSIPXSUSA-LBPRGKRZSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[NH2+]C[C@]1(NC(=O)CC[N@H+](C)CC)CCCC[C@@H]1C ZINC001267874416 899930491 /nfs/dbraw/zinc/93/04/91/899930491.db2.gz UEJVKEZDNBARHO-DOTOQJQBSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)C2CCC2)cc1 ZINC001267938089 900008028 /nfs/dbraw/zinc/00/80/28/900008028.db2.gz KCBNKQZIWBHXQN-UHFFFAOYSA-N 2 1 299.418 1.510 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490757 900910779 /nfs/dbraw/zinc/91/07/79/900910779.db2.gz JLMQYUZXCIQBFS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001481496785 900922340 /nfs/dbraw/zinc/92/23/40/900922340.db2.gz FVBBTKKCLVJMLO-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001481496785 900922342 /nfs/dbraw/zinc/92/23/42/900922342.db2.gz FVBBTKKCLVJMLO-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001481496785 900922354 /nfs/dbraw/zinc/92/23/54/900922354.db2.gz FVBBTKKCLVJMLO-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001269165618 903496979 /nfs/dbraw/zinc/49/69/79/903496979.db2.gz GXMREDFKGJIDFJ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001269356271 903731281 /nfs/dbraw/zinc/73/12/81/903731281.db2.gz OIFMZGRDOONQAN-ZIAGYGMSSA-N 2 1 276.384 1.428 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001269971819 904241785 /nfs/dbraw/zinc/24/17/85/904241785.db2.gz JMPDSGMHRIHTDJ-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001270221308 904455069 /nfs/dbraw/zinc/45/50/69/904455069.db2.gz CTVCXTAUOBMAGC-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001270612326 904791698 /nfs/dbraw/zinc/79/16/98/904791698.db2.gz QPXJEBZLJACHQZ-HNNXBMFYSA-N 2 1 287.407 1.094 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001270612326 904791704 /nfs/dbraw/zinc/79/17/04/904791704.db2.gz QPXJEBZLJACHQZ-HNNXBMFYSA-N 2 1 287.407 1.094 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001270771740 905028307 /nfs/dbraw/zinc/02/83/07/905028307.db2.gz MPDOLCISEXFJBA-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482458253 905668392 /nfs/dbraw/zinc/66/83/92/905668392.db2.gz CAJXYZBYKARQDA-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001271254198 906209291 /nfs/dbraw/zinc/20/92/91/906209291.db2.gz MFDAPISPVYQCEO-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271565238 906521516 /nfs/dbraw/zinc/52/15/16/906521516.db2.gz BMLFBLALMPIEJU-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001273578299 921409273 /nfs/dbraw/zinc/40/92/73/921409273.db2.gz QKCFALKWAHMLTH-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001273578299 921409278 /nfs/dbraw/zinc/40/92/78/921409278.db2.gz QKCFALKWAHMLTH-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273578299 921409281 /nfs/dbraw/zinc/40/92/81/921409281.db2.gz QKCFALKWAHMLTH-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001483348081 910945524 /nfs/dbraw/zinc/94/55/24/910945524.db2.gz RYHPZRHGJADBGD-CQSZACIVSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001284068170 911375137 /nfs/dbraw/zinc/37/51/37/911375137.db2.gz DFYUNTVTHVHFBX-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001284068170 911375150 /nfs/dbraw/zinc/37/51/50/911375150.db2.gz DFYUNTVTHVHFBX-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001484048936 915354164 /nfs/dbraw/zinc/35/41/64/915354164.db2.gz YBEQOVFHQPVTEB-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484048936 915354184 /nfs/dbraw/zinc/35/41/84/915354184.db2.gz YBEQOVFHQPVTEB-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484048936 915354203 /nfs/dbraw/zinc/35/42/03/915354203.db2.gz YBEQOVFHQPVTEB-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001484528448 915858531 /nfs/dbraw/zinc/85/85/31/915858531.db2.gz ADZAZJYVCHUUGJ-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001484937919 916285093 /nfs/dbraw/zinc/28/50/93/916285093.db2.gz ZAHCKIRPZKXAKS-CABCVRRESA-N 2 1 295.471 1.975 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001484941838 916302522 /nfs/dbraw/zinc/30/25/22/916302522.db2.gz LCKCEWBOYBJFOW-KGLIPLIRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001485076075 916471192 /nfs/dbraw/zinc/47/11/92/916471192.db2.gz KNJAOQFHVUKOOG-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001485094915 916508900 /nfs/dbraw/zinc/50/89/00/916508900.db2.gz OTQXKSJZVTXCIS-YMAMQOFZSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001485428114 916974620 /nfs/dbraw/zinc/97/46/20/916974620.db2.gz IFYXTRUDYUBFHM-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001485837557 920085466 /nfs/dbraw/zinc/08/54/66/920085466.db2.gz PVKWDCXFXIZODK-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001486400279 920987964 /nfs/dbraw/zinc/98/79/64/920987964.db2.gz UWCDRFSMCOAOLQ-KFWWJZLASA-N 2 1 293.455 1.470 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCC1 ZINC001273114533 922050407 /nfs/dbraw/zinc/05/04/07/922050407.db2.gz XROQIVPJPIANPA-HNNXBMFYSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001649448340 1169257293 /nfs/dbraw/zinc/25/72/93/1169257293.db2.gz WSYKXMYXQSZPPQ-RHSMWYFYSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001491252877 936884116 /nfs/dbraw/zinc/88/41/16/936884116.db2.gz GDCYIDGEXQQILF-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491302862 936892723 /nfs/dbraw/zinc/89/27/23/936892723.db2.gz ZTUCYHXITIWWQZ-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491302862 936892726 /nfs/dbraw/zinc/89/27/26/936892726.db2.gz ZTUCYHXITIWWQZ-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491302863 936892822 /nfs/dbraw/zinc/89/28/22/936892822.db2.gz ZTUCYHXITIWWQZ-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491302863 936892824 /nfs/dbraw/zinc/89/28/24/936892824.db2.gz ZTUCYHXITIWWQZ-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CC[NH2+]C1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001491371153 936899573 /nfs/dbraw/zinc/89/95/73/936899573.db2.gz OGDIFLGHKLCJGY-UHFFFAOYSA-N 2 1 279.428 1.369 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001490270911 927068853 /nfs/dbraw/zinc/06/88/53/927068853.db2.gz XSWVFVYSVLBZEX-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001493108365 930437233 /nfs/dbraw/zinc/43/72/33/930437233.db2.gz PZQRQZDPCIUDGW-HUUCEWRRSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001319912724 931490930 /nfs/dbraw/zinc/49/09/30/931490930.db2.gz YDFCHVAHHPUOFK-LSDHHAIUSA-N 2 1 281.444 1.776 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275730933 931984150 /nfs/dbraw/zinc/98/41/50/931984150.db2.gz YKMOYZKGDGDKIC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001275865765 932101116 /nfs/dbraw/zinc/10/11/16/932101116.db2.gz OKNJGGZJACQIPG-LBPRGKRZSA-N 2 1 286.379 1.879 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001276327241 935012278 /nfs/dbraw/zinc/01/22/78/935012278.db2.gz SMODKZRQQVRUGE-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001276867534 941661434 /nfs/dbraw/zinc/66/14/34/941661434.db2.gz OVIAXGJXZDCODN-KBPBESRZSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001568766638 1169467187 /nfs/dbraw/zinc/46/71/87/1169467187.db2.gz DWQPEWDIAFGTAR-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001277282493 942284680 /nfs/dbraw/zinc/28/46/80/942284680.db2.gz BZIMUHGHXXEZAK-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001281748040 942616785 /nfs/dbraw/zinc/61/67/85/942616785.db2.gz KKBKJPGUQSYLNY-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001281956482 942637227 /nfs/dbraw/zinc/63/72/27/942637227.db2.gz FFWNXWIMNBHKSN-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001282399083 942706128 /nfs/dbraw/zinc/70/61/28/942706128.db2.gz QSPIDCYMGGMAHC-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001282399083 942706129 /nfs/dbraw/zinc/70/61/29/942706129.db2.gz QSPIDCYMGGMAHC-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001282399083 942706130 /nfs/dbraw/zinc/70/61/30/942706130.db2.gz QSPIDCYMGGMAHC-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001283616935 942948598 /nfs/dbraw/zinc/94/85/98/942948598.db2.gz CWVCHDLIXKLIMW-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001277845897 943798972 /nfs/dbraw/zinc/79/89/72/943798972.db2.gz OMJVUVBYPGUZGN-HOCLYGCPSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CCC)CC1 ZINC001279104555 944144825 /nfs/dbraw/zinc/14/48/25/944144825.db2.gz IWCDPMCESFWIKJ-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001265095255 944227272 /nfs/dbraw/zinc/22/72/72/944227272.db2.gz SCDBHFRSMHZGHF-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265595232 944440776 /nfs/dbraw/zinc/44/07/76/944440776.db2.gz VDUDIHZMIRGGME-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265595232 944440779 /nfs/dbraw/zinc/44/07/79/944440779.db2.gz VDUDIHZMIRGGME-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001265595232 944440785 /nfs/dbraw/zinc/44/07/85/944440785.db2.gz VDUDIHZMIRGGME-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265657515 944459095 /nfs/dbraw/zinc/45/90/95/944459095.db2.gz FRRXVYKQBAJQGX-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001265657515 944459097 /nfs/dbraw/zinc/45/90/97/944459097.db2.gz FRRXVYKQBAJQGX-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001265657515 944459099 /nfs/dbraw/zinc/45/90/99/944459099.db2.gz FRRXVYKQBAJQGX-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001265674048 944465685 /nfs/dbraw/zinc/46/56/85/944465685.db2.gz QMMANGADUYIVNM-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001480479859 971747594 /nfs/dbraw/zinc/74/75/94/971747594.db2.gz NIADPYBPTPKRNI-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001327283813 954811070 /nfs/dbraw/zinc/81/10/70/954811070.db2.gz DCFZZWDYFXRHFW-OAHLLOKOSA-N 2 1 281.444 1.376 10 30 CDEEMP C=C(Cl)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCC1 ZINC001421791258 955546487 /nfs/dbraw/zinc/54/64/87/955546487.db2.gz KPQBJAWQDUBZFM-CYBMUJFWSA-N 2 1 299.846 1.709 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001492027198 955617176 /nfs/dbraw/zinc/61/71/76/955617176.db2.gz OPHWSKNFKVKLIX-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001493837861 972123902 /nfs/dbraw/zinc/12/39/02/972123902.db2.gz TVGDXPTYZDFBPU-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001493869495 972130695 /nfs/dbraw/zinc/13/06/95/972130695.db2.gz BCFCFQXTONZHLL-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001493869495 972130699 /nfs/dbraw/zinc/13/06/99/972130699.db2.gz BCFCFQXTONZHLL-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001493869495 972130702 /nfs/dbraw/zinc/13/07/02/972130702.db2.gz BCFCFQXTONZHLL-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001493958003 972145126 /nfs/dbraw/zinc/14/51/26/972145126.db2.gz YZHNCIBHQOQKMW-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001493958003 972145129 /nfs/dbraw/zinc/14/51/29/972145129.db2.gz YZHNCIBHQOQKMW-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001493958003 972145132 /nfs/dbraw/zinc/14/51/32/972145132.db2.gz YZHNCIBHQOQKMW-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001330598418 956505904 /nfs/dbraw/zinc/50/59/04/956505904.db2.gz CNIIEBTVHUQDJY-KKUMJFAQSA-N 2 1 279.428 1.530 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494294025 972206420 /nfs/dbraw/zinc/20/64/20/972206420.db2.gz JWLLBWIURWKFFF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494294025 972206421 /nfs/dbraw/zinc/20/64/21/972206421.db2.gz JWLLBWIURWKFFF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001316907751 957115085 /nfs/dbraw/zinc/11/50/85/957115085.db2.gz RGWCTESVARWZAN-CQSZACIVSA-N 2 1 267.417 1.034 10 30 CDEEMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@H]12 ZINC001332120979 957440105 /nfs/dbraw/zinc/44/01/05/957440105.db2.gz WZNFEXRTZYQKLI-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001332120979 957440108 /nfs/dbraw/zinc/44/01/08/957440108.db2.gz WZNFEXRTZYQKLI-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001317381799 957442720 /nfs/dbraw/zinc/44/27/20/957442720.db2.gz RFOLOMKNRIZDQV-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001317381799 957442725 /nfs/dbraw/zinc/44/27/25/957442725.db2.gz RFOLOMKNRIZDQV-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001317381799 957442730 /nfs/dbraw/zinc/44/27/30/957442730.db2.gz RFOLOMKNRIZDQV-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282331 957503458 /nfs/dbraw/zinc/50/34/58/957503458.db2.gz PQAZHIPIFZALJK-HUUCEWRRSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318470987 958121693 /nfs/dbraw/zinc/12/16/93/958121693.db2.gz AIPIDJAJSVMUIS-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001318470987 958121700 /nfs/dbraw/zinc/12/17/00/958121700.db2.gz AIPIDJAJSVMUIS-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318470987 958121708 /nfs/dbraw/zinc/12/17/08/958121708.db2.gz AIPIDJAJSVMUIS-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH2+]C[C@@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001318725935 958245569 /nfs/dbraw/zinc/24/55/69/958245569.db2.gz FCABYCREHXYSSE-MRXNPFEDSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001319251372 958456770 /nfs/dbraw/zinc/45/67/70/958456770.db2.gz RSEOXIZRKKEBPX-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001319454395 958574882 /nfs/dbraw/zinc/57/48/82/958574882.db2.gz NDACIDDZNHIEOF-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001496057238 972779148 /nfs/dbraw/zinc/77/91/48/972779148.db2.gz XGSBYFGBHCQZKJ-ZIAGYGMSSA-N 2 1 267.417 1.482 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001496639979 973003534 /nfs/dbraw/zinc/00/35/34/973003534.db2.gz WGHHMYWGJOAPPI-AWEZNQCLSA-N 2 1 269.433 1.633 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001496642278 973007546 /nfs/dbraw/zinc/00/75/46/973007546.db2.gz NLABPKCWYHMRNC-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497219423 973248947 /nfs/dbraw/zinc/24/89/47/973248947.db2.gz AKOXTQPLLYIBBN-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001569693405 1169968774 /nfs/dbraw/zinc/96/87/74/1169968774.db2.gz GCCCSINOLQQSGR-HNNXBMFYSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001499737524 974295738 /nfs/dbraw/zinc/29/57/38/974295738.db2.gz OADOCCOEMAAZAM-UHFFFAOYSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001503023145 974809021 /nfs/dbraw/zinc/80/90/21/974809021.db2.gz KVUWIGSHKXPBND-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001503023145 974809026 /nfs/dbraw/zinc/80/90/26/974809026.db2.gz KVUWIGSHKXPBND-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001503023145 974809029 /nfs/dbraw/zinc/80/90/29/974809029.db2.gz KVUWIGSHKXPBND-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505445985 974881047 /nfs/dbraw/zinc/88/10/47/974881047.db2.gz BDSIKGCPSYMUPP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505445985 974881051 /nfs/dbraw/zinc/88/10/51/974881051.db2.gz BDSIKGCPSYMUPP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505445985 974881056 /nfs/dbraw/zinc/88/10/56/974881056.db2.gz BDSIKGCPSYMUPP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001506884633 975245539 /nfs/dbraw/zinc/24/55/39/975245539.db2.gz BTARIQFCHLIYFU-AULYBMBSSA-N 2 1 296.802 1.579 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001507435108 975470733 /nfs/dbraw/zinc/47/07/33/975470733.db2.gz KSKHEYIRBVGXRI-OAHLLOKOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398455747 975994295 /nfs/dbraw/zinc/99/42/95/975994295.db2.gz LCJIATVTTQCKQI-OLZOCXBDSA-N 2 1 285.819 1.175 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001402082493 976116127 /nfs/dbraw/zinc/11/61/27/976116127.db2.gz USIGGTQFIOXLIE-ZDUSSCGKSA-N 2 1 287.835 1.660 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001492952677 976225795 /nfs/dbraw/zinc/22/57/95/976225795.db2.gz KNECAHGZFLYNEM-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001381292222 976746658 /nfs/dbraw/zinc/74/66/58/976746658.db2.gz HAWLFPDWTLQYCA-KBPBESRZSA-N 2 1 299.846 1.804 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001674735164 1174001135 /nfs/dbraw/zinc/00/11/35/1174001135.db2.gz OFDXFDHFEHPBNL-OLZOCXBDSA-N 2 1 276.384 1.123 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001675139137 1174079142 /nfs/dbraw/zinc/07/91/42/1174079142.db2.gz AMIRRWHNUKNCAW-CVEARBPZSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001676481502 1174231082 /nfs/dbraw/zinc/23/10/82/1174231082.db2.gz SNGFGAZEBWQTJP-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001569914642 1170037082 /nfs/dbraw/zinc/03/70/82/1170037082.db2.gz IERUXVKCECUSJK-LSDHHAIUSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569914642 1170037085 /nfs/dbraw/zinc/03/70/85/1170037085.db2.gz IERUXVKCECUSJK-LSDHHAIUSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569914642 1170037091 /nfs/dbraw/zinc/03/70/91/1170037091.db2.gz IERUXVKCECUSJK-LSDHHAIUSA-N 2 1 277.412 1.025 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569990896 1170055565 /nfs/dbraw/zinc/05/55/65/1170055565.db2.gz YXGRHPQWWFTQIA-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001570192550 1170103696 /nfs/dbraw/zinc/10/36/96/1170103696.db2.gz KOFXXGGUNWXMBN-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001570192550 1170103701 /nfs/dbraw/zinc/10/37/01/1170103701.db2.gz KOFXXGGUNWXMBN-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001570192550 1170103704 /nfs/dbraw/zinc/10/37/04/1170103704.db2.gz KOFXXGGUNWXMBN-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C(C)(C)C ZINC001571625427 1170500404 /nfs/dbraw/zinc/50/04/04/1170500404.db2.gz CXNFYZSWLCCWHT-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)C(C)(C)C ZINC001571625427 1170500409 /nfs/dbraw/zinc/50/04/09/1170500409.db2.gz CXNFYZSWLCCWHT-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP C[N@H+]1CCC[C@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000590191689 342524430 /nfs/dbraw/zinc/52/44/30/342524430.db2.gz NYOWEOSNRZTTEO-INIZCTEOSA-N 2 1 270.380 1.871 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437182 342905466 /nfs/dbraw/zinc/90/54/66/342905466.db2.gz IZOMTOICZFVRQH-GJZGRUSLSA-N 2 1 294.443 1.634 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000595908178 343189120 /nfs/dbraw/zinc/18/91/20/343189120.db2.gz ZKINSSOEPOBGPG-SOUVJXGZSA-N 2 1 265.401 1.721 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CC[C@H](C#N)C2)CCO1 ZINC000595908178 343189121 /nfs/dbraw/zinc/18/91/21/343189121.db2.gz ZKINSSOEPOBGPG-SOUVJXGZSA-N 2 1 265.401 1.721 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC#N ZINC000597051977 343442048 /nfs/dbraw/zinc/44/20/48/343442048.db2.gz HSCNXQWZOIYJMI-CABCVRRESA-N 2 1 294.443 1.411 10 30 CDEEMP C[N@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657076 351314917 /nfs/dbraw/zinc/31/49/17/351314917.db2.gz ZYYSZONAQOFUFK-KGLIPLIRSA-N 2 1 271.368 1.821 10 30 CDEEMP C[N@@H+](C[C@@H](C#N)CCC#N)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328657076 351314919 /nfs/dbraw/zinc/31/49/19/351314919.db2.gz ZYYSZONAQOFUFK-KGLIPLIRSA-N 2 1 271.368 1.821 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001660476562 1172219469 /nfs/dbraw/zinc/21/94/69/1172219469.db2.gz WBPHUFCRDJTBGH-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000528394110 367822374 /nfs/dbraw/zinc/82/23/74/367822374.db2.gz XNTZKYPEVGDUON-JKSUJKDBSA-N 2 1 291.439 1.849 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001661787577 1172448293 /nfs/dbraw/zinc/44/82/93/1172448293.db2.gz BTZGTQCLEPZNKD-ZDUSSCGKSA-N 2 1 276.384 1.357 10 30 CDEEMP CC[NH+](CC)CCOCC[NH2+]Cc1nc(C#N)cs1 ZINC000352953952 374480959 /nfs/dbraw/zinc/48/09/59/374480959.db2.gz XJVPADBHJCMHHJ-UHFFFAOYSA-N 2 1 282.413 1.463 10 30 CDEEMP C=C1CC(C)(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000631258405 376045672 /nfs/dbraw/zinc/04/56/72/376045672.db2.gz RSWSRCWIIGNECW-CQSZACIVSA-N 2 1 291.439 1.627 10 30 CDEEMP C=C1CC(C)(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000631258405 376045675 /nfs/dbraw/zinc/04/56/75/376045675.db2.gz RSWSRCWIIGNECW-CQSZACIVSA-N 2 1 291.439 1.627 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663276193 1172666329 /nfs/dbraw/zinc/66/63/29/1172666329.db2.gz GBPWHZINSCTYHN-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663276193 1172666333 /nfs/dbraw/zinc/66/63/33/1172666333.db2.gz GBPWHZINSCTYHN-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001663276193 1172666335 /nfs/dbraw/zinc/66/63/35/1172666335.db2.gz GBPWHZINSCTYHN-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP N#Cc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000335538844 390657398 /nfs/dbraw/zinc/65/73/98/390657398.db2.gz MXNIPXFUUHCYBX-IYBDPMFKSA-N 2 1 255.365 1.990 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001664394669 1172849121 /nfs/dbraw/zinc/84/91/21/1172849121.db2.gz FTRHIZSLHXLOFT-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001665658951 1173033018 /nfs/dbraw/zinc/03/30/18/1173033018.db2.gz GOEQITDPCJUVTB-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](CCC)C2)CCC[NH2+]1 ZINC000662910264 413694340 /nfs/dbraw/zinc/69/43/40/413694340.db2.gz MZERZCVLQOBGIZ-UKRRQHHQSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001665810226 1173065331 /nfs/dbraw/zinc/06/53/31/1173065331.db2.gz RCMUHRMFVXHPKU-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@H]2CO)s1 ZINC000043683940 175092270 /nfs/dbraw/zinc/09/22/70/175092270.db2.gz SRMTZCHRBQEBQT-NSHDSACASA-N 2 1 250.367 1.015 10 30 CDEEMP CN[C@](C)(C#N)CCCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190778 176069004 /nfs/dbraw/zinc/06/90/04/176069004.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 2 1 266.433 1.542 10 30 CDEEMP CN[C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190778 176069006 /nfs/dbraw/zinc/06/90/06/176069006.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 2 1 266.433 1.542 10 30 CDEEMP CN[C@](C)(C#N)CCCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190778 176069008 /nfs/dbraw/zinc/06/90/08/176069008.db2.gz RFZZTTQRACUQQJ-GJZGRUSLSA-N 2 1 266.433 1.542 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001667607368 1173295730 /nfs/dbraw/zinc/29/57/30/1173295730.db2.gz DFBHVEOSAQUUDM-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001667607368 1173295733 /nfs/dbraw/zinc/29/57/33/1173295733.db2.gz DFBHVEOSAQUUDM-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001670139321 1173657287 /nfs/dbraw/zinc/65/72/87/1173657287.db2.gz XRGXDVPVUSGOCE-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001671431736 1173682869 /nfs/dbraw/zinc/68/28/69/1173682869.db2.gz KKZKCBQQULTOCZ-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C[N@H+]1CCC[C@@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000339020152 327008137 /nfs/dbraw/zinc/00/81/37/327008137.db2.gz DEXQYVKTUBALAK-KGLIPLIRSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]1CCC[C@@H]2C[N@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020152 327008139 /nfs/dbraw/zinc/00/81/39/327008139.db2.gz DEXQYVKTUBALAK-KGLIPLIRSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020152 327008141 /nfs/dbraw/zinc/00/81/41/327008141.db2.gz DEXQYVKTUBALAK-KGLIPLIRSA-N 2 1 251.374 1.333 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691481668 1159375483 /nfs/dbraw/zinc/37/54/83/1159375483.db2.gz QVPHCGMVXVBCCZ-GASCZTMLSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001482692189 1160626264 /nfs/dbraw/zinc/62/62/64/1160626264.db2.gz GNIUVBIELLDXAB-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001713221987 1178441103 /nfs/dbraw/zinc/44/11/03/1178441103.db2.gz UXNHOPXNWCRMLP-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001713221987 1178441106 /nfs/dbraw/zinc/44/11/06/1178441106.db2.gz UXNHOPXNWCRMLP-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001713221987 1178441110 /nfs/dbraw/zinc/44/11/10/1178441110.db2.gz UXNHOPXNWCRMLP-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001716849943 1180438352 /nfs/dbraw/zinc/43/83/52/1180438352.db2.gz HWKVEXPVORPLNW-DZGCQCFKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001716849943 1180438357 /nfs/dbraw/zinc/43/83/57/1180438357.db2.gz HWKVEXPVORPLNW-DZGCQCFKSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001725383555 1181982110 /nfs/dbraw/zinc/98/21/10/1181982110.db2.gz BLGTZTWZYGAZET-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP [NH3+]CC#Cc1cccc(OCC[N@H+]2CCC[C@H](CO)C2)c1 ZINC000049608328 527152889 /nfs/dbraw/zinc/15/28/89/527152889.db2.gz RHRVSTJWIDOZJS-INIZCTEOSA-N 2 1 288.391 1.080 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052763110 527153842 /nfs/dbraw/zinc/15/38/42/527153842.db2.gz WZEYCHBDCKHYNZ-KRWDZBQOSA-N 2 1 272.392 1.734 10 30 CDEEMP C=CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001690128848 1175383580 /nfs/dbraw/zinc/38/35/80/1175383580.db2.gz UOACLHSOJSBHAC-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215172 613520682 /nfs/dbraw/zinc/52/06/82/613520682.db2.gz MRXPZJFBLGIZEG-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893367 613745698 /nfs/dbraw/zinc/74/56/98/613745698.db2.gz OZRLJMXAVDDUNG-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C(C)(C)C1 ZINC000940893367 613745701 /nfs/dbraw/zinc/74/57/01/613745701.db2.gz OZRLJMXAVDDUNG-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000900208500 622803667 /nfs/dbraw/zinc/80/36/67/622803667.db2.gz KBFBJFQQUCKMQF-ZDUSSCGKSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C)COC ZINC000903768195 626085142 /nfs/dbraw/zinc/08/51/42/626085142.db2.gz LTUVXMQFEGNSQW-QLFBSQMISA-N 2 1 268.401 1.278 10 30 CDEEMP C=CCCC[N@H+](CC)CCC(=O)N1CC[NH2+]CC1 ZINC000903850462 626115915 /nfs/dbraw/zinc/11/59/15/626115915.db2.gz RLUKTNHHHYEMML-UHFFFAOYSA-N 2 1 253.390 1.096 10 30 CDEEMP C[C@@]1(C[N@@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987747 626174657 /nfs/dbraw/zinc/17/46/57/626174657.db2.gz IHNZTVIOZZOTRF-NVXWUHKLSA-N 2 1 299.422 1.829 10 30 CDEEMP C[C@@]1(C[N@H+]2CCC[C@@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987747 626174658 /nfs/dbraw/zinc/17/46/58/626174658.db2.gz IHNZTVIOZZOTRF-NVXWUHKLSA-N 2 1 299.422 1.829 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000907851117 627858454 /nfs/dbraw/zinc/85/84/54/627858454.db2.gz NHERETOHEULJPQ-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001670478215 1158616593 /nfs/dbraw/zinc/61/65/93/1158616593.db2.gz BZZHGQOQASEVCJ-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001670687092 1158691032 /nfs/dbraw/zinc/69/10/32/1158691032.db2.gz OVNLDMNTEBRDFF-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001690821372 1158777923 /nfs/dbraw/zinc/77/79/23/1158777923.db2.gz VEVCEGUDFYOJGW-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001690821372 1158777929 /nfs/dbraw/zinc/77/79/29/1158777929.db2.gz VEVCEGUDFYOJGW-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001690821372 1158777932 /nfs/dbraw/zinc/77/79/32/1158777932.db2.gz VEVCEGUDFYOJGW-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699933687 1158849656 /nfs/dbraw/zinc/84/96/56/1158849656.db2.gz JABRUKXJIGCTHP-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001568450933 1169294837 /nfs/dbraw/zinc/29/48/37/1169294837.db2.gz FPTWPVMOWMTYNO-HUUCEWRRSA-N 2 1 279.428 1.223 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001569268829 1169741884 /nfs/dbraw/zinc/74/18/84/1169741884.db2.gz KKPOIWZDURBJNQ-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001661921805 1172467999 /nfs/dbraw/zinc/46/79/99/1172467999.db2.gz LWWOUVKWCASERA-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001663457284 1172698824 /nfs/dbraw/zinc/69/88/24/1172698824.db2.gz HTKAPAYTFRBVIP-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001674938217 1174039787 /nfs/dbraw/zinc/03/97/87/1174039787.db2.gz KACCHJMJNQIVFC-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001689317113 1175145030 /nfs/dbraw/zinc/14/50/30/1175145030.db2.gz WEQGMKHELKFOKT-PMPSAXMXSA-N 2 1 293.455 1.709 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001698576140 1175852334 /nfs/dbraw/zinc/85/23/34/1175852334.db2.gz VPTALPFKNUOCGS-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001698576140 1175852341 /nfs/dbraw/zinc/85/23/41/1175852341.db2.gz VPTALPFKNUOCGS-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001698576140 1175852346 /nfs/dbraw/zinc/85/23/46/1175852346.db2.gz VPTALPFKNUOCGS-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001698573803 1175852713 /nfs/dbraw/zinc/85/27/13/1175852713.db2.gz DGVQCDKCJAFWIQ-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001698573803 1175852704 /nfs/dbraw/zinc/85/27/04/1175852704.db2.gz DGVQCDKCJAFWIQ-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001698573803 1175852708 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C=C(C)C[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714573145 1179229748 /nfs/dbraw/zinc/22/97/48/1179229748.db2.gz UKYCJXWDDFIVMW-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001714705305 1179346363 /nfs/dbraw/zinc/34/63/63/1179346363.db2.gz DBMYBZOPJIYQAR-QWHCGFSZSA-N 2 1 287.835 1.517 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001714899279 1179444490 /nfs/dbraw/zinc/44/44/90/1179444490.db2.gz NRIORMIUNPQJRB-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001714899279 1179444491 /nfs/dbraw/zinc/44/44/91/1179444491.db2.gz NRIORMIUNPQJRB-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001714899279 1179444495 /nfs/dbraw/zinc/44/44/95/1179444495.db2.gz NRIORMIUNPQJRB-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001715008025 1179506909 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CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001716443857 1180212942 /nfs/dbraw/zinc/21/29/42/1180212942.db2.gz NFDOMWJFQXLGNY-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001716691309 1180372435 /nfs/dbraw/zinc/37/24/35/1180372435.db2.gz GXXSHLRNMWXTDS-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716777417 1180411266 /nfs/dbraw/zinc/41/12/66/1180411266.db2.gz LBGYUJZWCRGBGC-LSDHHAIUSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001716849943 1180438348 /nfs/dbraw/zinc/43/83/48/1180438348.db2.gz HWKVEXPVORPLNW-DZGCQCFKSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001717369372 1180633841 /nfs/dbraw/zinc/63/38/41/1180633841.db2.gz MBPZYUGLLVUEAW-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001717369372 1180633845 /nfs/dbraw/zinc/63/38/45/1180633845.db2.gz MBPZYUGLLVUEAW-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717811175 1180871626 /nfs/dbraw/zinc/87/16/26/1180871626.db2.gz BVKHURSRSAYIOO-UONOGXRCSA-N 2 1 277.412 1.073 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001717886510 1180913404 /nfs/dbraw/zinc/91/34/04/1180913404.db2.gz DMBZRXNNQFJKRM-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC001717895289 1180918299 /nfs/dbraw/zinc/91/82/99/1180918299.db2.gz ISVCJSDPGHGLBF-HNNXBMFYSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722916969 1181494249 /nfs/dbraw/zinc/49/42/49/1181494249.db2.gz QCKSUFQNLUUGRG-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001724250201 1181658376 /nfs/dbraw/zinc/65/83/76/1181658376.db2.gz NDBLWYKYFHTGPI-HOCLYGCPSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001724658358 1181717268 /nfs/dbraw/zinc/71/72/68/1181717268.db2.gz WDBYVSCTVYQLBZ-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001724658358 1181717275 /nfs/dbraw/zinc/71/72/75/1181717275.db2.gz WDBYVSCTVYQLBZ-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001724658358 1181717282 /nfs/dbraw/zinc/71/72/82/1181717282.db2.gz WDBYVSCTVYQLBZ-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCC1 ZINC001724785612 1181753752 /nfs/dbraw/zinc/75/37/52/1181753752.db2.gz IQEODGIJNZDBKL-CQSZACIVSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001724859797 1181780200 /nfs/dbraw/zinc/78/02/00/1181780200.db2.gz JMQBDPXCEHKDAQ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001724859797 1181780206 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CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001731727785 1182535478 /nfs/dbraw/zinc/53/54/78/1182535478.db2.gz ZSMYMYOLVBCFLV-MGPQQGTHSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)c1sccc1C[NH+](C)C ZINC001731804745 1182595419 /nfs/dbraw/zinc/59/54/19/1182595419.db2.gz RHFXQYPEEQGTDH-UHFFFAOYSA-N 2 1 293.436 1.495 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001731833597 1182616745 /nfs/dbraw/zinc/61/67/45/1182616745.db2.gz HRZLBPFWJUXKSD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732164509 1182823535 /nfs/dbraw/zinc/82/35/35/1182823535.db2.gz CMOFDUIKKMPDOZ-CABCVRRESA-N 2 1 297.418 1.222 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732164509 1182823543 /nfs/dbraw/zinc/82/35/43/1182823543.db2.gz CMOFDUIKKMPDOZ-CABCVRRESA-N 2 1 297.418 1.222 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001732183836 1182837532 /nfs/dbraw/zinc/83/75/32/1182837532.db2.gz ALWCJNHSZFVNCB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001732183836 1182837543 /nfs/dbraw/zinc/83/75/43/1182837543.db2.gz ALWCJNHSZFVNCB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001732183836 1182837549 /nfs/dbraw/zinc/83/75/49/1182837549.db2.gz ALWCJNHSZFVNCB-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001732680203 1183079643 /nfs/dbraw/zinc/07/96/43/1183079643.db2.gz FAKPYERVZPGSIA-NEPJUHHUSA-N 2 1 273.808 1.318 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001733236266 1183360539 /nfs/dbraw/zinc/36/05/39/1183360539.db2.gz HLMIIYHNASBSRU-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@H+](C)CCC)CC1 ZINC001733363163 1183410710 /nfs/dbraw/zinc/41/07/10/1183410710.db2.gz LRKGFIJVOANYBM-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001733464492 1183440429 /nfs/dbraw/zinc/44/04/29/1183440429.db2.gz ROMXIBFKVWSMRX-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001733464492 1183440431 /nfs/dbraw/zinc/44/04/31/1183440431.db2.gz ROMXIBFKVWSMRX-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001733464492 1183440434 /nfs/dbraw/zinc/44/04/34/1183440434.db2.gz ROMXIBFKVWSMRX-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001733601763 1183476678 /nfs/dbraw/zinc/47/66/78/1183476678.db2.gz RDOIARRNALQUIU-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001733692160 1183498081 /nfs/dbraw/zinc/49/80/81/1183498081.db2.gz USAFVAUHNOVHST-WKILWMFISA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001733762174 1183523947 /nfs/dbraw/zinc/52/39/47/1183523947.db2.gz HSHPZSBYKBIRPB-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001733931908 1183573047 /nfs/dbraw/zinc/57/30/47/1183573047.db2.gz KBPPODUTNJKDDI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733931908 1183573050 /nfs/dbraw/zinc/57/30/50/1183573050.db2.gz KBPPODUTNJKDDI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001733931908 1183573054 /nfs/dbraw/zinc/57/30/54/1183573054.db2.gz KBPPODUTNJKDDI-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000815652166 697727113 /nfs/dbraw/zinc/72/71/13/697727113.db2.gz RORWGZVLCXOGOR-MRXNPFEDSA-N 2 1 271.408 1.810 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000815652166 697727123 /nfs/dbraw/zinc/72/71/23/697727123.db2.gz RORWGZVLCXOGOR-MRXNPFEDSA-N 2 1 271.408 1.810 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880262602 698004815 /nfs/dbraw/zinc/00/48/15/698004815.db2.gz QCXLQZZHQXHKHG-HOCLYGCPSA-N 2 1 275.396 1.919 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)C[C@H]1CCOC1 ZINC000261708670 698069014 /nfs/dbraw/zinc/06/90/14/698069014.db2.gz UYBBCZBYHQJMRN-KGLIPLIRSA-N 2 1 282.432 1.014 10 30 CDEEMP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000931355162 698133440 /nfs/dbraw/zinc/13/34/40/698133440.db2.gz QECHLCNQCPSWIO-ZDUSSCGKSA-N 2 1 265.401 1.457 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000876739877 698300893 /nfs/dbraw/zinc/30/08/93/698300893.db2.gz JUMMRFHACIYKQL-CHWSQXEVSA-N 2 1 287.835 1.693 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864467676 698301975 /nfs/dbraw/zinc/30/19/75/698301975.db2.gz WPMHIJAQWCWSQR-CYBMUJFWSA-N 2 1 250.390 1.198 10 30 CDEEMP C[NH+]=C(NCc1nccs1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245614578 704868686 /nfs/dbraw/zinc/86/86/86/704868686.db2.gz MESHNXSETWJCAU-NWDGAFQWSA-N 2 1 295.456 1.537 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000837859715 705178858 /nfs/dbraw/zinc/17/88/58/705178858.db2.gz YMJBUGGGPBXJLI-HNNXBMFYSA-N 2 1 282.347 1.048 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000837859715 705178876 /nfs/dbraw/zinc/17/88/76/705178876.db2.gz YMJBUGGGPBXJLI-HNNXBMFYSA-N 2 1 282.347 1.048 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1CC ZINC001569342114 1167556547 /nfs/dbraw/zinc/55/65/47/1167556547.db2.gz FRFXKKDQPRRCFG-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCOCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125506 848598162 /nfs/dbraw/zinc/59/81/62/848598162.db2.gz CXQRHEZIQRZMDI-UHFFFAOYSA-N 2 1 270.417 1.479 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926489118 848660024 /nfs/dbraw/zinc/66/00/24/848660024.db2.gz DMYFIPQBHFBVBY-LSDHHAIUSA-N 2 1 252.402 1.592 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000926489118 848660020 /nfs/dbraw/zinc/66/00/20/848660020.db2.gz DMYFIPQBHFBVBY-LSDHHAIUSA-N 2 1 252.402 1.592 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccncc1 ZINC000876915452 849284735 /nfs/dbraw/zinc/28/47/35/849284735.db2.gz SLRCCKLACLODSI-CHWSQXEVSA-N 2 1 294.786 1.024 10 30 CDEEMP [NH2+]=C(NCC[N@H+]1CC=CCC1)NC1CCCCC1 ZINC000262471644 849789784 /nfs/dbraw/zinc/78/97/84/849789784.db2.gz PDADHRCAJWIUGU-UHFFFAOYSA-N 2 1 250.390 1.485 10 30 CDEEMP [NH2+]=C(NCC[N@@H+]1CC=CCC1)NC1CCCCC1 ZINC000262471644 849789793 /nfs/dbraw/zinc/78/97/93/849789793.db2.gz PDADHRCAJWIUGU-UHFFFAOYSA-N 2 1 250.390 1.485 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001566604066 1168353964 /nfs/dbraw/zinc/35/39/64/1168353964.db2.gz NLMSEPZULKLBIS-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001566604066 1168353966 /nfs/dbraw/zinc/35/39/66/1168353966.db2.gz NLMSEPZULKLBIS-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)C1CC1 ZINC001566604066 1168353972 /nfs/dbraw/zinc/35/39/72/1168353972.db2.gz NLMSEPZULKLBIS-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001566825802 1168432769 /nfs/dbraw/zinc/43/27/69/1168432769.db2.gz BEZAROFWUVHQOW-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001566825802 1168432774 /nfs/dbraw/zinc/43/27/74/1168432774.db2.gz BEZAROFWUVHQOW-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001566825802 1168432777 /nfs/dbraw/zinc/43/27/77/1168432777.db2.gz BEZAROFWUVHQOW-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001566929430 1168471064 /nfs/dbraw/zinc/47/10/64/1168471064.db2.gz ZZMPIAXPZXWBHR-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566929430 1168471066 /nfs/dbraw/zinc/47/10/66/1168471066.db2.gz ZZMPIAXPZXWBHR-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001566929430 1168471068 /nfs/dbraw/zinc/47/10/68/1168471068.db2.gz ZZMPIAXPZXWBHR-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001282448559 894382861 /nfs/dbraw/zinc/38/28/61/894382861.db2.gz AAHONKHAROVWBW-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001282448559 894382877 /nfs/dbraw/zinc/38/28/77/894382877.db2.gz AAHONKHAROVWBW-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001282448559 894382895 /nfs/dbraw/zinc/38/28/95/894382895.db2.gz AAHONKHAROVWBW-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)C1CC1 ZINC001266433695 894851104 /nfs/dbraw/zinc/85/11/04/894851104.db2.gz JHKGBIVBDARMHE-IUODEOHRSA-N 2 1 288.395 1.096 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)CCC[NH+]1CCCCC1 ZINC001266437699 894881564 /nfs/dbraw/zinc/88/15/64/894881564.db2.gz JNHDMIMYMGOQHL-UHFFFAOYSA-N 2 1 279.428 1.324 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266517478 895195141 /nfs/dbraw/zinc/19/51/41/895195141.db2.gz KICUVBJWKKTRGP-GJZGRUSLSA-N 2 1 297.418 1.128 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001567550063 1168846832 /nfs/dbraw/zinc/84/68/32/1168846832.db2.gz YKZMZBPLQFOIKQ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267283128 897463035 /nfs/dbraw/zinc/46/30/35/897463035.db2.gz ILMUBGBIPSCALB-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481111210 898877292 /nfs/dbraw/zinc/87/72/92/898877292.db2.gz GHAPDVSZXNBTKM-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001567681165 1168914074 /nfs/dbraw/zinc/91/40/74/1168914074.db2.gz NOTUYMPKPNRRIB-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001267820698 899809417 /nfs/dbraw/zinc/80/94/17/899809417.db2.gz HHIAVIBGABBGON-HZPDHXFCSA-N 2 1 293.455 1.757 10 30 CDEEMP CC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@H](C)C2)CCCC1 ZINC001267841375 899854130 /nfs/dbraw/zinc/85/41/30/899854130.db2.gz RMLWFPBMOUATOB-HNNXBMFYSA-N 2 1 291.439 1.370 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001481349869 900475836 /nfs/dbraw/zinc/47/58/36/900475836.db2.gz CZJGFYYJBMEBDM-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567730836 1168938966 /nfs/dbraw/zinc/93/89/66/1168938966.db2.gz FJPDHXCIMWLMRK-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567730836 1168938972 /nfs/dbraw/zinc/93/89/72/1168938972.db2.gz FJPDHXCIMWLMRK-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567730836 1168938978 /nfs/dbraw/zinc/93/89/78/1168938978.db2.gz FJPDHXCIMWLMRK-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC1CCC1 ZINC001268238537 901641534 /nfs/dbraw/zinc/64/15/34/901641534.db2.gz HEAGYSMMBOREBK-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC1CCC1 ZINC001268238537 901641539 /nfs/dbraw/zinc/64/15/39/901641539.db2.gz HEAGYSMMBOREBK-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC1 ZINC001268238537 901641544 /nfs/dbraw/zinc/64/15/44/901641544.db2.gz HEAGYSMMBOREBK-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC1 ZINC001268238537 901641549 /nfs/dbraw/zinc/64/15/49/901641549.db2.gz HEAGYSMMBOREBK-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268404205 902002264 /nfs/dbraw/zinc/00/22/64/902002264.db2.gz RPKKBDLETWEQPH-CVEARBPZSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001481941871 902382709 /nfs/dbraw/zinc/38/27/09/902382709.db2.gz YIAQTTJVGXAOBU-BBRMVZONSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001268711273 902996630 /nfs/dbraw/zinc/99/66/30/902996630.db2.gz WJSDPTKZYQWVQT-GOEBONIOSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001269332884 903703662 /nfs/dbraw/zinc/70/36/62/903703662.db2.gz RMBXVRQQUUJDPJ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001269332884 903703671 /nfs/dbraw/zinc/70/36/71/903703671.db2.gz RMBXVRQQUUJDPJ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001269332884 903703678 /nfs/dbraw/zinc/70/36/78/903703678.db2.gz RMBXVRQQUUJDPJ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001269348737 903722372 /nfs/dbraw/zinc/72/23/72/903722372.db2.gz NDTLKBFQZGTPGW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001269348737 903722378 /nfs/dbraw/zinc/72/23/78/903722378.db2.gz NDTLKBFQZGTPGW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269348737 903722387 /nfs/dbraw/zinc/72/23/87/903722387.db2.gz NDTLKBFQZGTPGW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001269356270 903731619 /nfs/dbraw/zinc/73/16/19/903731619.db2.gz OIFMZGRDOONQAN-UONOGXRCSA-N 2 1 276.384 1.428 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001269438139 903808713 /nfs/dbraw/zinc/80/87/13/903808713.db2.gz ZWALCXGSRQQYAU-ZDUSSCGKSA-N 2 1 265.401 1.285 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001482298425 904753082 /nfs/dbraw/zinc/75/30/82/904753082.db2.gz JQNLSEXXQVYYRF-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001567940278 1169084467 /nfs/dbraw/zinc/08/44/67/1169084467.db2.gz CYLRRYODHOCBQM-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001483864777 915134522 /nfs/dbraw/zinc/13/45/22/915134522.db2.gz OLBFMRZOEVAARE-AWEZNQCLSA-N 2 1 285.407 1.385 10 30 CDEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001484098605 915431704 /nfs/dbraw/zinc/43/17/04/915431704.db2.gz WYNYCEDBERSWNU-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001484120886 915444387 /nfs/dbraw/zinc/44/43/87/915444387.db2.gz UAAYNGPKVYHERJ-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466506 915793878 /nfs/dbraw/zinc/79/38/78/915793878.db2.gz UKRLPYGKSNVISL-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001484466506 915793894 /nfs/dbraw/zinc/79/38/94/915793894.db2.gz UKRLPYGKSNVISL-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCCF ZINC001484745850 916110797 /nfs/dbraw/zinc/11/07/97/916110797.db2.gz VSUPSHCMMPWYCG-HNNXBMFYSA-N 2 1 297.418 1.224 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCCF ZINC001484745850 916110804 /nfs/dbraw/zinc/11/08/04/916110804.db2.gz VSUPSHCMMPWYCG-HNNXBMFYSA-N 2 1 297.418 1.224 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCF ZINC001484745850 916110811 /nfs/dbraw/zinc/11/08/11/916110811.db2.gz VSUPSHCMMPWYCG-HNNXBMFYSA-N 2 1 297.418 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCF ZINC001484745850 916110815 /nfs/dbraw/zinc/11/08/15/916110815.db2.gz VSUPSHCMMPWYCG-HNNXBMFYSA-N 2 1 297.418 1.224 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484922837 916281908 /nfs/dbraw/zinc/28/19/08/916281908.db2.gz XUDOXGVNIPRKHX-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001485471436 917001239 /nfs/dbraw/zinc/00/12/39/917001239.db2.gz GWAKXAHNHUQZCN-HOTGVXAUSA-N 2 1 293.455 1.759 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001491251113 936883490 /nfs/dbraw/zinc/88/34/90/936883490.db2.gz FDVIDUUAELSZKS-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491302864 936892846 /nfs/dbraw/zinc/89/28/46/936892846.db2.gz ZTUCYHXITIWWQZ-UKRRQHHQSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001491302864 936892848 /nfs/dbraw/zinc/89/28/48/936892848.db2.gz ZTUCYHXITIWWQZ-UKRRQHHQSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001490281789 927076324 /nfs/dbraw/zinc/07/63/24/927076324.db2.gz NDIFGVLQFIQMIQ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001490281789 927076335 /nfs/dbraw/zinc/07/63/35/927076335.db2.gz NDIFGVLQFIQMIQ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001490281789 927076350 /nfs/dbraw/zinc/07/63/50/927076350.db2.gz NDIFGVLQFIQMIQ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001568497656 1169330845 /nfs/dbraw/zinc/33/08/45/1169330845.db2.gz MBJHPSPDNBNPMF-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001568497656 1169330854 /nfs/dbraw/zinc/33/08/54/1169330854.db2.gz MBJHPSPDNBNPMF-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001568497656 1169330860 /nfs/dbraw/zinc/33/08/60/1169330860.db2.gz MBJHPSPDNBNPMF-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001568497656 1169330867 /nfs/dbraw/zinc/33/08/67/1169330867.db2.gz MBJHPSPDNBNPMF-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001274279117 931487527 /nfs/dbraw/zinc/48/75/27/931487527.db2.gz CZNPBJVTSHXOHW-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001293032947 931602707 /nfs/dbraw/zinc/60/27/07/931602707.db2.gz GZTOCSASQQQZCU-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001275279897 931722704 /nfs/dbraw/zinc/72/27/04/931722704.db2.gz APEUVWXRAKNTOL-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001275583764 931894243 /nfs/dbraw/zinc/89/42/43/931894243.db2.gz YPKKSKVBHYAPJN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001275583764 931894249 /nfs/dbraw/zinc/89/42/49/931894249.db2.gz YPKKSKVBHYAPJN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001275583764 931894256 /nfs/dbraw/zinc/89/42/56/931894256.db2.gz YPKKSKVBHYAPJN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001276922912 941700853 /nfs/dbraw/zinc/70/08/53/941700853.db2.gz DLPVYVLTWXGAIA-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001276922912 941700855 /nfs/dbraw/zinc/70/08/55/941700855.db2.gz DLPVYVLTWXGAIA-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001281666130 942607353 /nfs/dbraw/zinc/60/73/53/942607353.db2.gz WDKYUPAGKRSKPI-LSDHHAIUSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001281939579 942633938 /nfs/dbraw/zinc/63/39/38/942633938.db2.gz JDIYZQBYGBGWOW-HRCADAONSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001281939579 942633940 /nfs/dbraw/zinc/63/39/40/942633940.db2.gz JDIYZQBYGBGWOW-HRCADAONSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001281939579 942633943 /nfs/dbraw/zinc/63/39/43/942633943.db2.gz JDIYZQBYGBGWOW-HRCADAONSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001284536270 943204632 /nfs/dbraw/zinc/20/46/32/943204632.db2.gz FKVHSUPKIXEAJC-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001284536270 943204637 /nfs/dbraw/zinc/20/46/37/943204637.db2.gz FKVHSUPKIXEAJC-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001284536270 943204645 /nfs/dbraw/zinc/20/46/45/943204645.db2.gz FKVHSUPKIXEAJC-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001263811974 943982725 /nfs/dbraw/zinc/98/27/25/943982725.db2.gz DOVBWZPJJVEYSZ-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001263811974 943982731 /nfs/dbraw/zinc/98/27/31/943982731.db2.gz DOVBWZPJJVEYSZ-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001263811974 943982737 /nfs/dbraw/zinc/98/27/37/943982737.db2.gz DOVBWZPJJVEYSZ-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001263811974 943982740 /nfs/dbraw/zinc/98/27/40/943982740.db2.gz DOVBWZPJJVEYSZ-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265217369 944280977 /nfs/dbraw/zinc/28/09/77/944280977.db2.gz VHDKTOPDPUYMRP-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265217369 944280986 /nfs/dbraw/zinc/28/09/86/944280986.db2.gz VHDKTOPDPUYMRP-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265217369 944280990 /nfs/dbraw/zinc/28/09/90/944280990.db2.gz VHDKTOPDPUYMRP-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001265304181 944334539 /nfs/dbraw/zinc/33/45/39/944334539.db2.gz WYDJRSKEBXZXTQ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265304181 944334541 /nfs/dbraw/zinc/33/45/41/944334541.db2.gz WYDJRSKEBXZXTQ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001265304181 944334548 /nfs/dbraw/zinc/33/45/48/944334548.db2.gz WYDJRSKEBXZXTQ-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001266075482 944667136 /nfs/dbraw/zinc/66/71/36/944667136.db2.gz NWPGKAXINIYBDE-JKSUJKDBSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001278095190 944766580 /nfs/dbraw/zinc/76/65/80/944766580.db2.gz VWTCUSCKKMIRCL-UHFFFAOYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479338747 971300977 /nfs/dbraw/zinc/30/09/77/971300977.db2.gz ZKKJDYHGRRSJDT-MCIONIFRSA-N 2 1 299.846 1.565 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001479636898 971354583 /nfs/dbraw/zinc/35/45/83/971354583.db2.gz HLCKABWBUPTYPY-XHSDSOJGSA-N 2 1 293.455 1.565 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479779424 971413257 /nfs/dbraw/zinc/41/32/57/971413257.db2.gz OIRINEMEZMKINY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479779424 971413261 /nfs/dbraw/zinc/41/32/61/971413261.db2.gz OIRINEMEZMKINY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001479779424 971413267 /nfs/dbraw/zinc/41/32/67/971413267.db2.gz OIRINEMEZMKINY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001479852312 971453297 /nfs/dbraw/zinc/45/32/97/971453297.db2.gz FCKIFQOBPCATGC-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP 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CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001480740550 971855901 /nfs/dbraw/zinc/85/59/01/971855901.db2.gz ZWUPROYXJUCCOX-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001480834472 971897151 /nfs/dbraw/zinc/89/71/51/971897151.db2.gz PIESKLGGJRXAMG-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001491960597 955545022 /nfs/dbraw/zinc/54/50/22/955545022.db2.gz WKYYSIWHGLDHDA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001491960597 955545040 /nfs/dbraw/zinc/54/50/40/955545040.db2.gz WKYYSIWHGLDHDA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491960597 955545056 /nfs/dbraw/zinc/54/50/56/955545056.db2.gz WKYYSIWHGLDHDA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001329170580 955732143 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C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001366469087 956855309 /nfs/dbraw/zinc/85/53/09/956855309.db2.gz DEOBFSFKJWVNSP-OLZOCXBDSA-N 2 1 287.835 1.708 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001494447499 972234472 /nfs/dbraw/zinc/23/44/72/972234472.db2.gz QKRZWIJEXCNKRG-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316823993 957048783 /nfs/dbraw/zinc/04/87/83/957048783.db2.gz NBKFQEDGXGQKKG-OAHLLOKOSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001331504736 957107013 /nfs/dbraw/zinc/10/70/13/957107013.db2.gz QDMHSZZKRDJANV-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCOCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001332197608 957474588 /nfs/dbraw/zinc/47/45/88/957474588.db2.gz DHLUKRFWFDNUNJ-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001317478671 957501472 /nfs/dbraw/zinc/50/14/72/957501472.db2.gz SNPOOPZNUZRJGO-OAHLLOKOSA-N 2 1 279.428 1.342 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C(C)(C)C ZINC001332807038 957850420 /nfs/dbraw/zinc/85/04/20/957850420.db2.gz NMSDJLAQACBWMG-OAHLLOKOSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001332821805 957863078 /nfs/dbraw/zinc/86/30/78/957863078.db2.gz CYXWCIBERLDDPA-AWEZNQCLSA-N 2 1 290.411 1.335 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001319231719 958446906 /nfs/dbraw/zinc/44/69/06/958446906.db2.gz WZSCZAUITWSZTR-HUUCEWRRSA-N 2 1 281.444 1.636 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001320079325 958921292 /nfs/dbraw/zinc/92/12/92/958921292.db2.gz VCVAAQFNJLGTBE-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320079325 958921304 /nfs/dbraw/zinc/92/13/04/958921304.db2.gz VCVAAQFNJLGTBE-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001320079325 958921311 /nfs/dbraw/zinc/92/13/11/958921311.db2.gz VCVAAQFNJLGTBE-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCC ZINC001320449576 959180373 /nfs/dbraw/zinc/18/03/73/959180373.db2.gz FAJMUQPAEBSCQF-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCC ZINC001320449576 959180376 /nfs/dbraw/zinc/18/03/76/959180376.db2.gz FAJMUQPAEBSCQF-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322183611 960122531 /nfs/dbraw/zinc/12/25/31/960122531.db2.gz SWTPAQHCHKKQSW-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001495480124 972517100 /nfs/dbraw/zinc/51/71/00/972517100.db2.gz SADJDXBUFDPZJX-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421449921 963612500 /nfs/dbraw/zinc/61/25/00/963612500.db2.gz MYALEHIGEPLOGJ-WCQYABFASA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001447820918 966887275 /nfs/dbraw/zinc/88/72/75/966887275.db2.gz NIZVQUPSSMYBGY-UHFFFAOYSA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001448497306 967130452 /nfs/dbraw/zinc/13/04/52/967130452.db2.gz RMPFTEAWSRVHKI-AAVRWANBSA-N 2 1 299.846 1.564 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC001544168275 967343111 /nfs/dbraw/zinc/34/31/11/967343111.db2.gz FFLBNQIRUPEYPM-GASCZTMLSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001496095911 972792344 /nfs/dbraw/zinc/79/23/44/972792344.db2.gz QUEXZYIERJYMOH-QWHCGFSZSA-N 2 1 287.835 1.660 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569677075 1169964274 /nfs/dbraw/zinc/96/42/74/1169964274.db2.gz QDMNRNYFZQEMFV-OAHLLOKOSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001498325634 973833770 /nfs/dbraw/zinc/83/37/70/973833770.db2.gz HZYJILZYMPYPNM-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001498325634 973833775 /nfs/dbraw/zinc/83/37/75/973833775.db2.gz HZYJILZYMPYPNM-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001498325634 973833779 /nfs/dbraw/zinc/83/37/79/973833779.db2.gz HZYJILZYMPYPNM-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001498771376 974057842 /nfs/dbraw/zinc/05/78/42/974057842.db2.gz YFZORDVSISBDIT-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001498832888 974072400 /nfs/dbraw/zinc/07/24/00/974072400.db2.gz QHRRQEVGSJYHFF-HOTGVXAUSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501090508 974531152 /nfs/dbraw/zinc/53/11/52/974531152.db2.gz DPDFSARNHQDTDH-LSDHHAIUSA-N 2 1 281.444 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CDEEMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001267593584 1159495954 /nfs/dbraw/zinc/49/59/54/1159495954.db2.gz NXMZGVKXHFHPRK-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001481269171 1159601967 /nfs/dbraw/zinc/60/19/67/1159601967.db2.gz BVCXKMXLAOMZPU-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001269083899 1160029600 /nfs/dbraw/zinc/02/96/00/1160029600.db2.gz HQJJBYSETBDMQD-CVEARBPZSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001271711946 1160348774 /nfs/dbraw/zinc/34/87/74/1160348774.db2.gz NCJULLNSSNZCBQ-OCCSQVGLSA-N 2 1 276.384 1.062 10 30 CDEEMP C=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001671040550 1161411618 /nfs/dbraw/zinc/41/16/18/1161411618.db2.gz ZEHWUCNKXCYJJZ-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001731246354 1182274442 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C#CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753043 613262542 /nfs/dbraw/zinc/26/25/42/613262542.db2.gz INHMLQSQMQRKMR-KFWWJZLASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753043 613262545 /nfs/dbraw/zinc/26/25/45/613262545.db2.gz INHMLQSQMQRKMR-KFWWJZLASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753043 613262548 /nfs/dbraw/zinc/26/25/48/613262548.db2.gz INHMLQSQMQRKMR-KFWWJZLASA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCC[N@H+]1C ZINC000911202399 629199796 /nfs/dbraw/zinc/19/97/96/629199796.db2.gz WWOHTRBZSXCVGE-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)C[C@@H]1CCOC1 ZINC000156117092 630175107 /nfs/dbraw/zinc/17/51/07/630175107.db2.gz UYBBCZBYHQJMRN-KBPBESRZSA-N 2 1 282.432 1.014 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170497 1158942456 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10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001713644115 1178693703 /nfs/dbraw/zinc/69/37/03/1178693703.db2.gz WPNFUIDZKPCILW-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713949018 1178879655 /nfs/dbraw/zinc/87/96/55/1178879655.db2.gz BEKUOOUDAPZBEP-YHUYYLMFSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001714093149 1178968735 /nfs/dbraw/zinc/96/87/35/1178968735.db2.gz CAMMVHITDBULGI-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001714584885 1179243819 /nfs/dbraw/zinc/24/38/19/1179243819.db2.gz IRRGZSBITOCDLW-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714876919 1179433428 /nfs/dbraw/zinc/43/34/28/1179433428.db2.gz ORAVBOGJLXCTPJ-HUUCEWRRSA-N 2 1 281.444 1.587 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714931503 1179460363 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C#CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001715157916 1179566708 /nfs/dbraw/zinc/56/67/08/1179566708.db2.gz OFIWAUFMCXBJND-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)CC[N@H+](C)CCC)CCCC1 ZINC001715308426 1179618320 /nfs/dbraw/zinc/61/83/20/1179618320.db2.gz SRNRWNRKRSLHBQ-UHFFFAOYSA-N 2 1 293.455 1.760 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001715319074 1179620474 /nfs/dbraw/zinc/62/04/74/1179620474.db2.gz FUZMPHKNYASEDE-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715879785 1179894586 /nfs/dbraw/zinc/89/45/86/1179894586.db2.gz VOKOTMQVLGRBRM-KXPUMZMLSA-N 2 1 291.439 1.535 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001716404506 1180189087 /nfs/dbraw/zinc/18/90/87/1180189087.db2.gz OGHPMBWICHIYHG-QWHCGFSZSA-N 2 1 278.400 1.641 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001716572157 1180289046 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C=CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001716901013 1180458744 /nfs/dbraw/zinc/45/87/44/1180458744.db2.gz ZDNAVCGWNZUCMK-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001716901013 1180458748 /nfs/dbraw/zinc/45/87/48/1180458748.db2.gz ZDNAVCGWNZUCMK-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001716901013 1180458754 /nfs/dbraw/zinc/45/87/54/1180458754.db2.gz ZDNAVCGWNZUCMK-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717488425 1180703631 /nfs/dbraw/zinc/70/36/31/1180703631.db2.gz USUSLXLUZUCVIY-GXTWGEPZSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001717488425 1180703641 /nfs/dbraw/zinc/70/36/41/1180703641.db2.gz USUSLXLUZUCVIY-GXTWGEPZSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001717676223 1180787182 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C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000876956909 705748439 /nfs/dbraw/zinc/74/84/39/705748439.db2.gz RJMZDXHJHRHHTP-YNEHKIRRSA-N 2 1 285.819 1.589 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930325 /nfs/dbraw/zinc/93/03/25/705930325.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)N1CCN(C)[C@H](C(C)(C)C)C1 ZINC000880613987 705930336 /nfs/dbraw/zinc/93/03/36/705930336.db2.gz OQIBKYMZPYKAKO-GJZGRUSLSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CCN1CC[C@@H]([N@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709386 709784317 /nfs/dbraw/zinc/78/43/17/709784317.db2.gz XACQRUCUWFQTKA-CZUORRHYSA-N 2 1 279.428 1.470 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710976053 710048048 /nfs/dbraw/zinc/04/80/48/710048048.db2.gz DUSOSIYCXFGNHN-UHFFFAOYSA-N 2 1 295.427 1.398 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000710976053 710048056 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C=CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001483710310 912976694 /nfs/dbraw/zinc/97/66/94/912976694.db2.gz YOISJHYJCJOINM-AWEZNQCLSA-N 2 1 265.401 1.239 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001483710310 912976702 /nfs/dbraw/zinc/97/67/02/912976702.db2.gz YOISJHYJCJOINM-AWEZNQCLSA-N 2 1 265.401 1.239 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266468245 894997042 /nfs/dbraw/zinc/99/70/42/894997042.db2.gz MRGWQHXOLFCBNO-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266546832 895303797 /nfs/dbraw/zinc/30/37/97/895303797.db2.gz XUXWQCBNXIRBSQ-HUUCEWRRSA-N 2 1 279.428 1.034 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266674043 895784370 /nfs/dbraw/zinc/78/43/70/895784370.db2.gz KOKYILMJYSTSHD-HZSPNIEDSA-N 2 1 265.401 1.284 10 30 CDEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001267113060 896826105 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C#CCC[N@H+](C)CCCNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001490257228 927062044 /nfs/dbraw/zinc/06/20/44/927062044.db2.gz NAWJZDLIUTWCSY-CYBMUJFWSA-N 2 1 276.384 1.050 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001490324142 927120379 /nfs/dbraw/zinc/12/03/79/927120379.db2.gz CKEJXYAJQNCYFQ-HNNXBMFYSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001490698568 927306281 /nfs/dbraw/zinc/30/62/81/927306281.db2.gz HQXHZNVGEVFHIS-CWRNSKLLSA-N 2 1 291.439 1.224 10 30 CDEEMP CC#CC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001274034783 931133694 /nfs/dbraw/zinc/13/36/94/931133694.db2.gz ADIKUGBAVUSEGL-UHFFFAOYSA-N 2 1 299.418 1.593 10 30 CDEEMP CC#CC[N@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001274034783 931133696 /nfs/dbraw/zinc/13/36/96/931133696.db2.gz ADIKUGBAVUSEGL-UHFFFAOYSA-N 2 1 299.418 1.593 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001274654888 931531981 /nfs/dbraw/zinc/53/19/81/931531981.db2.gz POOUWOSFZFTBKC-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCOCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001275623701 931911992 /nfs/dbraw/zinc/91/19/92/931911992.db2.gz YMJANDULBKFIAI-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001275623701 931911999 /nfs/dbraw/zinc/91/19/99/931911999.db2.gz YMJANDULBKFIAI-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001275623701 931912005 /nfs/dbraw/zinc/91/20/05/931912005.db2.gz YMJANDULBKFIAI-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001276001592 932221948 /nfs/dbraw/zinc/22/19/48/932221948.db2.gz GXZXRGSBSDZMES-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001276201019 932632528 /nfs/dbraw/zinc/63/25/28/932632528.db2.gz YZPFPIOWVKJDAL-HUUCEWRRSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001276983152 941773407 /nfs/dbraw/zinc/77/34/07/941773407.db2.gz FOBMTUATYUXZAX-YHUYYLMFSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)CCC ZINC001283702923 942975356 /nfs/dbraw/zinc/97/53/56/942975356.db2.gz DFXSHMQYPQIOMN-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001265200140 944266966 /nfs/dbraw/zinc/26/69/66/944266966.db2.gz KMRPVGDMKMQMRG-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265453923 944394082 /nfs/dbraw/zinc/39/40/82/944394082.db2.gz AHIWIXBUVVHIQH-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278326402 946192333 /nfs/dbraw/zinc/19/23/33/946192333.db2.gz QEKQOWJUUAUWEU-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001479266736 971280764 /nfs/dbraw/zinc/28/07/64/971280764.db2.gz RVLDYPLHNZMHLF-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1cc[nH+]c1C ZINC001479266736 971280769 /nfs/dbraw/zinc/28/07/69/971280769.db2.gz RVLDYPLHNZMHLF-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CCOCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001278422495 947874667 /nfs/dbraw/zinc/87/46/67/947874667.db2.gz DUJFANJUILAXRG-LSDHHAIUSA-N 2 1 297.443 1.108 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001569022466 1169601211 /nfs/dbraw/zinc/60/12/11/1169601211.db2.gz MHLUYCXTBVVUNE-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278573120 950220704 /nfs/dbraw/zinc/22/07/04/950220704.db2.gz WEMLGCGUYBNXRC-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480599962 971801479 /nfs/dbraw/zinc/80/14/79/971801479.db2.gz PZNKUAWMQYKKCV-GDBMZVCRSA-N 2 1 289.423 1.960 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001324817657 953589597 /nfs/dbraw/zinc/58/95/97/953589597.db2.gz KUDCOELBVRWXSH-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327245742 954790875 /nfs/dbraw/zinc/79/08/75/954790875.db2.gz OZJPICKYZWAFHY-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001327245742 954790882 /nfs/dbraw/zinc/79/08/82/954790882.db2.gz OZJPICKYZWAFHY-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001327245742 954790893 /nfs/dbraw/zinc/79/08/93/954790893.db2.gz OZJPICKYZWAFHY-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001491685041 955357859 /nfs/dbraw/zinc/35/78/59/955357859.db2.gz XAZHFYBBPRPWCJ-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001493695565 972101182 /nfs/dbraw/zinc/10/11/82/972101182.db2.gz JDURJUJIRDGKND-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001328915229 955551990 /nfs/dbraw/zinc/55/19/90/955551990.db2.gz INBOEJORJRJPAD-FHERZECASA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001492383517 955846408 /nfs/dbraw/zinc/84/64/08/955846408.db2.gz DBZCSHKYPZYVFT-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001492383517 955846425 /nfs/dbraw/zinc/84/64/25/955846425.db2.gz DBZCSHKYPZYVFT-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001492383517 955846438 /nfs/dbraw/zinc/84/64/38/955846438.db2.gz DBZCSHKYPZYVFT-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001492383517 955846454 /nfs/dbraw/zinc/84/64/54/955846454.db2.gz DBZCSHKYPZYVFT-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+](CC)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001316907322 957109933 /nfs/dbraw/zinc/10/99/33/957109933.db2.gz MFUPBKUMAUBPHU-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001316906442 957112619 /nfs/dbraw/zinc/11/26/19/957112619.db2.gz BKKMSKBQRJZGOT-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317177003 957323568 /nfs/dbraw/zinc/32/35/68/957323568.db2.gz FRNNNAGMVBPEJJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317177003 957323581 /nfs/dbraw/zinc/32/35/81/957323581.db2.gz FRNNNAGMVBPEJJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317177003 957323592 /nfs/dbraw/zinc/32/35/92/957323592.db2.gz FRNNNAGMVBPEJJ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001317186918 957332118 /nfs/dbraw/zinc/33/21/18/957332118.db2.gz DACWTPZQCJPSBU-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP 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CDEEMP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000601852413 344271778 /nfs/dbraw/zinc/27/17/78/344271778.db2.gz YPBRBQQZYMFBHL-ZIAGYGMSSA-N 2 1 280.416 1.196 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001660150052 1172165675 /nfs/dbraw/zinc/16/56/75/1172165675.db2.gz LSVOQEQYNLZEMW-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001660150052 1172165682 /nfs/dbraw/zinc/16/56/82/1172165682.db2.gz LSVOQEQYNLZEMW-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001660150052 1172165686 /nfs/dbraw/zinc/16/56/86/1172165686.db2.gz LSVOQEQYNLZEMW-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001661690865 1172427170 /nfs/dbraw/zinc/42/71/70/1172427170.db2.gz WJMDKVAWPAWRHJ-XHSDSOJGSA-N 2 1 287.407 1.712 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001663309803 1172669202 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1.437 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001732169678 1182828978 /nfs/dbraw/zinc/82/89/78/1182828978.db2.gz IDQHHNVSIGNITL-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001732169678 1182828990 /nfs/dbraw/zinc/82/89/90/1182828990.db2.gz IDQHHNVSIGNITL-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001732174185 1182832587 /nfs/dbraw/zinc/83/25/87/1182832587.db2.gz VORSZYYERYYDGW-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732328316 1182907588 /nfs/dbraw/zinc/90/75/88/1182907588.db2.gz FEVLPMFPZZOGNQ-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C1CCCCC1 ZINC001732478930 1182983408 /nfs/dbraw/zinc/98/34/08/1182983408.db2.gz XBYKLQIIISEHHX-MRXNPFEDSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732775429 1183121459 /nfs/dbraw/zinc/12/14/59/1183121459.db2.gz SEZVRFBAKFUYOT-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733013259 1183237328 /nfs/dbraw/zinc/23/73/28/1183237328.db2.gz MHLUYCXTBVVUNE-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[N@H+](CCNC(=O)CC[NH+](C)C)C1CCCCCC1 ZINC001733277933 1183378111 /nfs/dbraw/zinc/37/81/11/1183378111.db2.gz JGVPMHUPFUEWRD-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733452070 1183435957 /nfs/dbraw/zinc/43/59/57/1183435957.db2.gz MKKSJOCZULFQJZ-HNNXBMFYSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001733770102 1183526841 /nfs/dbraw/zinc/52/68/41/1183526841.db2.gz GOUMCHOVMUCCLC-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001733770102 1183526848 /nfs/dbraw/zinc/52/68/48/1183526848.db2.gz GOUMCHOVMUCCLC-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001733770102 1183526855 /nfs/dbraw/zinc/52/68/55/1183526855.db2.gz GOUMCHOVMUCCLC-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733938347 1183574845 /nfs/dbraw/zinc/57/48/45/1183574845.db2.gz OTJVMZISUUTJSC-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001734055377 1183639041 /nfs/dbraw/zinc/63/90/41/1183639041.db2.gz PHNDEKJFINSPAC-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001734055377 1183639043 /nfs/dbraw/zinc/63/90/43/1183639043.db2.gz PHNDEKJFINSPAC-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001734345780 1183741987 /nfs/dbraw/zinc/74/19/87/1183741987.db2.gz WQMRZANYSKWZPJ-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001734462833 1183787395 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C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)C1CC1 ZINC001481172658 899048997 /nfs/dbraw/zinc/04/89/97/899048997.db2.gz MVKVGZCXRZMPPF-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)C1CC1 ZINC001481172658 899049011 /nfs/dbraw/zinc/04/90/11/899049011.db2.gz MVKVGZCXRZMPPF-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267956069 900062697 /nfs/dbraw/zinc/06/26/97/900062697.db2.gz UBPJWDPSWVUBGF-BZUAXINKSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481353203 900481064 /nfs/dbraw/zinc/48/10/64/900481064.db2.gz BUSAFSFODXKWCQ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001481353203 900481068 /nfs/dbraw/zinc/48/10/68/900481068.db2.gz BUSAFSFODXKWCQ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001481353203 900481072 /nfs/dbraw/zinc/48/10/72/900481072.db2.gz BUSAFSFODXKWCQ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481495476 900922232 /nfs/dbraw/zinc/92/22/32/900922232.db2.gz AGCUVZIRUFHRNA-OAHLLOKOSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001268087053 901167262 /nfs/dbraw/zinc/16/72/62/901167262.db2.gz OHUJVPYGXIQIQX-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[N@@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001567749658 1168951131 /nfs/dbraw/zinc/95/11/31/1168951131.db2.gz KZGOZYASHXYNPN-UHFFFAOYSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001567749658 1168951136 /nfs/dbraw/zinc/95/11/36/1168951136.db2.gz KZGOZYASHXYNPN-UHFFFAOYSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481669480 901765315 /nfs/dbraw/zinc/76/53/15/901765315.db2.gz NYQUVGAJPMHMDA-UHFFFAOYSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268640653 902872119 /nfs/dbraw/zinc/87/21/19/902872119.db2.gz WVYJQLCTOUJSCN-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001268731967 903049248 /nfs/dbraw/zinc/04/92/48/903049248.db2.gz DSKDSYHSNHVMGF-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001268731967 903049258 /nfs/dbraw/zinc/04/92/58/903049258.db2.gz DSKDSYHSNHVMGF-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001268731967 903049271 /nfs/dbraw/zinc/04/92/71/903049271.db2.gz DSKDSYHSNHVMGF-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269292102 903663671 /nfs/dbraw/zinc/66/36/71/903663671.db2.gz OVIAXGJXZDCODN-ZIAGYGMSSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297450 903668499 /nfs/dbraw/zinc/66/84/99/903668499.db2.gz YRPJOUFFGGPWLY-CVEARBPZSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297450 903668506 /nfs/dbraw/zinc/66/85/06/903668506.db2.gz YRPJOUFFGGPWLY-CVEARBPZSA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001269477743 903844279 /nfs/dbraw/zinc/84/42/79/903844279.db2.gz SBAKIPIEKGJEDS-CQSZACIVSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001269489086 903855004 /nfs/dbraw/zinc/85/50/04/903855004.db2.gz GSSVGAGZLTUPKG-CABCVRRESA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001482369512 905219034 /nfs/dbraw/zinc/21/90/34/905219034.db2.gz MZIQWIUAHHZCCQ-GDBMZVCRSA-N 2 1 289.423 1.912 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001270983582 905520987 /nfs/dbraw/zinc/52/09/87/905520987.db2.gz RHHQJEPGEGRIQW-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001271846423 906890803 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C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@H]21 ZINC001320113823 958945950 /nfs/dbraw/zinc/94/59/50/958945950.db2.gz ZXSZELGFRRCRIA-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(Cl)CNCCN(CC)C(=O)Cc1[nH]cnc1C ZINC001320902721 959449926 /nfs/dbraw/zinc/44/99/26/959449926.db2.gz MEKBKLYERIBXPK-UHFFFAOYSA-N 2 1 284.791 1.451 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001322244875 960150502 /nfs/dbraw/zinc/15/05/02/960150502.db2.gz QFFPZBFAVBEXEY-XJKSGUPXSA-N 2 1 297.418 1.269 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001322274655 960162642 /nfs/dbraw/zinc/16/26/42/960162642.db2.gz PIDINBLVGDBEJA-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001323945409 961059006 /nfs/dbraw/zinc/05/90/06/961059006.db2.gz DSLUSCHRUJFTQO-AWEZNQCLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001444108096 965739399 /nfs/dbraw/zinc/73/93/99/965739399.db2.gz OEMFIRSSFRUHOK-DZGCQCFKSA-N 2 1 299.846 1.708 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569612293 1169936339 /nfs/dbraw/zinc/93/63/39/1169936339.db2.gz ADYPMLPOWRNCFI-GOEBONIOSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001496370963 972901472 /nfs/dbraw/zinc/90/14/72/972901472.db2.gz XEMAPZPNLGMOBR-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001496532418 972957376 /nfs/dbraw/zinc/95/73/76/972957376.db2.gz AGGYYCVRXXUCFA-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001496705031 973055982 /nfs/dbraw/zinc/05/59/82/973055982.db2.gz PZAUHFICNCXEOF-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001496705031 973055995 /nfs/dbraw/zinc/05/59/95/973055995.db2.gz PZAUHFICNCXEOF-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498325542 973832291 /nfs/dbraw/zinc/83/22/91/973832291.db2.gz QIZDZSKBFPBEDW-CQSZACIVSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498325542 973832297 /nfs/dbraw/zinc/83/22/97/973832297.db2.gz QIZDZSKBFPBEDW-CQSZACIVSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001498325542 973832301 /nfs/dbraw/zinc/83/23/01/973832301.db2.gz QIZDZSKBFPBEDW-CQSZACIVSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001498376267 973868754 /nfs/dbraw/zinc/86/87/54/973868754.db2.gz PNXCWQVTQJKSKN-CHWSQXEVSA-N 2 1 255.406 1.195 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001499248397 974222249 /nfs/dbraw/zinc/22/22/49/974222249.db2.gz HBGWTLBMEFPOIV-OAHLLOKOSA-N 2 1 289.423 1.265 10 30 CDEEMP C=CCC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001500225552 974406461 /nfs/dbraw/zinc/40/64/61/974406461.db2.gz LYZDUSOIQWVLAW-ZBFHGGJFSA-N 2 1 299.434 1.823 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505445497 974880832 /nfs/dbraw/zinc/88/08/32/974880832.db2.gz WTSLMGAISQNDEY-HUUCEWRRSA-N 2 1 279.428 1.129 10 30 CDEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001505536041 974902221 /nfs/dbraw/zinc/90/22/21/974902221.db2.gz JNCFFDLPGXYJGX-SHARSMKWSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001507454359 975474523 /nfs/dbraw/zinc/47/45/23/975474523.db2.gz VMWQXAKSYFUQIM-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001508230874 975646940 /nfs/dbraw/zinc/64/69/40/975646940.db2.gz ZMYNLBCLEMWTMY-UHFFFAOYSA-N 2 1 279.428 1.651 10 30 CDEEMP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001508230874 975646943 /nfs/dbraw/zinc/64/69/43/975646943.db2.gz ZMYNLBCLEMWTMY-UHFFFAOYSA-N 2 1 279.428 1.651 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001508230874 975646945 /nfs/dbraw/zinc/64/69/45/975646945.db2.gz ZMYNLBCLEMWTMY-UHFFFAOYSA-N 2 1 279.428 1.651 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001674224453 1173926396 /nfs/dbraw/zinc/92/63/96/1173926396.db2.gz RJPHCKBTPOGAPK-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001676386815 1174217796 /nfs/dbraw/zinc/21/77/96/1174217796.db2.gz LEVSDZFHNMZHDM-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676814944 1174277977 /nfs/dbraw/zinc/27/79/77/1174277977.db2.gz KEDHWYZDJYHWSU-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001569994193 1170055299 /nfs/dbraw/zinc/05/52/99/1170055299.db2.gz GCWFDFBCPIMYCZ-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001571612213 1170494207 /nfs/dbraw/zinc/49/42/07/1170494207.db2.gz BLZIEMYQJBHEJZ-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001571612213 1170494210 /nfs/dbraw/zinc/49/42/10/1170494210.db2.gz BLZIEMYQJBHEJZ-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001571612213 1170494213 /nfs/dbraw/zinc/49/42/13/1170494213.db2.gz BLZIEMYQJBHEJZ-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571646192 1170508144 /nfs/dbraw/zinc/50/81/44/1170508144.db2.gz KXWQZLPPZKNTBB-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957484 1171906402 /nfs/dbraw/zinc/90/64/02/1171906402.db2.gz RDLMKDOYWAPADA-KFWWJZLASA-N 2 1 297.418 1.269 10 30 CDEEMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594441303 342907485 /nfs/dbraw/zinc/90/74/85/342907485.db2.gz QPNGPHKHUIYCNY-ZIAGYGMSSA-N 2 1 280.416 1.244 10 30 CDEEMP N#CC1(c2ccc(C[NH2+]C[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000594925666 342973552 /nfs/dbraw/zinc/97/35/52/342973552.db2.gz MERFABSFQHVTEX-KRWDZBQOSA-N 2 1 299.418 1.788 10 30 CDEEMP CC(C)(C#N)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862574 343175015 /nfs/dbraw/zinc/17/50/15/343175015.db2.gz DAUZRJWQBHZJOW-CQSZACIVSA-N 2 1 265.401 1.457 10 30 CDEEMP CC(C)(C#N)CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595862574 343175017 /nfs/dbraw/zinc/17/50/17/343175017.db2.gz DAUZRJWQBHZJOW-CQSZACIVSA-N 2 1 265.401 1.457 10 30 CDEEMP N#Cc1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864883 343176018 /nfs/dbraw/zinc/17/60/18/343176018.db2.gz WKCPEXQGZKMPPD-GOSISDBHSA-N 2 1 299.418 1.632 10 30 CDEEMP N#Cc1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000595864883 343176019 /nfs/dbraw/zinc/17/60/19/343176019.db2.gz WKCPEXQGZKMPPD-GOSISDBHSA-N 2 1 299.418 1.632 10 30 CDEEMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166188 198188408 /nfs/dbraw/zinc/18/84/08/198188408.db2.gz PAJCQONYXSTJCS-IRXDYDNUSA-N 2 1 285.391 1.619 10 30 CDEEMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166188 198188409 /nfs/dbraw/zinc/18/84/09/198188409.db2.gz PAJCQONYXSTJCS-IRXDYDNUSA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166188 198188410 /nfs/dbraw/zinc/18/84/10/198188410.db2.gz PAJCQONYXSTJCS-IRXDYDNUSA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166188 198188411 /nfs/dbraw/zinc/18/84/11/198188411.db2.gz PAJCQONYXSTJCS-IRXDYDNUSA-N 2 1 285.391 1.619 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)CCC[NH+]1CCCC1 ZINC001660408829 1172209193 /nfs/dbraw/zinc/20/91/93/1172209193.db2.gz OVIXXWUSJLTKJT-UHFFFAOYSA-N 2 1 279.428 1.324 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001660409334 1172212900 /nfs/dbraw/zinc/21/29/00/1172212900.db2.gz YOOILKHDRQBPQP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001660409334 1172212908 /nfs/dbraw/zinc/21/29/08/1172212908.db2.gz YOOILKHDRQBPQP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001660409334 1172212915 /nfs/dbraw/zinc/21/29/15/1172212915.db2.gz YOOILKHDRQBPQP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193655638 375888945 /nfs/dbraw/zinc/88/89/45/375888945.db2.gz DUWYXHLYXDMPKE-GASCZTMLSA-N 2 1 298.390 1.380 10 30 CDEEMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657870885 413063489 /nfs/dbraw/zinc/06/34/89/413063489.db2.gz RDOMQXOYPSFBSU-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[C@@]1(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662873499 413634914 /nfs/dbraw/zinc/63/49/14/413634914.db2.gz YRHLVPQJMMOLTK-HUORLRHWSA-N 2 1 277.412 1.426 10 30 CDEEMP CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)[C@@H](C)COC ZINC000043684255 175093068 /nfs/dbraw/zinc/09/30/68/175093068.db2.gz KNYKWDVOXMEKNU-LBPRGKRZSA-N 2 1 266.410 1.915 10 30 CDEEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684119 175093204 /nfs/dbraw/zinc/09/32/04/175093204.db2.gz XYCDUAUTKOWBNX-YPMHNXCESA-N 2 1 291.420 1.144 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190476 176066417 /nfs/dbraw/zinc/06/64/17/176066417.db2.gz IJYMKCIINBNMNV-QGZVFWFLSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190476 176066418 /nfs/dbraw/zinc/06/64/18/176066418.db2.gz IJYMKCIINBNMNV-QGZVFWFLSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccc(C#CC[NH3+])cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190476 176066420 /nfs/dbraw/zinc/06/64/20/176066420.db2.gz IJYMKCIINBNMNV-QGZVFWFLSA-N 3 1 271.408 1.380 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190476 176066421 /nfs/dbraw/zinc/06/64/21/176066421.db2.gz IJYMKCIINBNMNV-QGZVFWFLSA-N 2 1 271.408 1.380 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190476 176066423 /nfs/dbraw/zinc/06/64/23/176066423.db2.gz IJYMKCIINBNMNV-QGZVFWFLSA-N 2 1 271.408 1.380 10 30 CDEEMP C[N@H+](Cc1cccc(C#CCCO)c1)C[C@@H]1CC[NH+](C)C1 ZINC000071190516 176066477 /nfs/dbraw/zinc/06/64/77/176066477.db2.gz ISFVSUPJZCRPIE-GOSISDBHSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1cccc(C#CCCO)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190516 176066478 /nfs/dbraw/zinc/06/64/78/176066478.db2.gz ISFVSUPJZCRPIE-GOSISDBHSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1cccc(C#CCCO)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190516 176066479 /nfs/dbraw/zinc/06/64/79/176066479.db2.gz ISFVSUPJZCRPIE-GOSISDBHSA-N 2 1 286.419 1.804 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000160819632 264262191 /nfs/dbraw/zinc/26/21/91/264262191.db2.gz ZTQOEGGIXHRBBG-CQSZACIVSA-N 2 1 268.449 1.976 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000130840474 264369961 /nfs/dbraw/zinc/36/99/61/264369961.db2.gz MJSZWJCMUVGUBD-CYBMUJFWSA-N 2 1 254.422 1.586 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1C[C@@H](C)O[C@H](C)C1 ZINC000262240347 330002468 /nfs/dbraw/zinc/00/24/68/330002468.db2.gz XXSNFDMLNJEDTP-UMVBOHGHSA-N 2 1 296.459 1.579 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000262759484 330029658 /nfs/dbraw/zinc/02/96/58/330029658.db2.gz CUOITYZYHIPEFV-DGCLKSJQSA-N 2 1 264.417 1.719 10 30 CDEEMP C[N@@H+](CCOCCC#N)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000339194666 335142500 /nfs/dbraw/zinc/14/25/00/335142500.db2.gz VKXRJXQQVIIWJD-PBWFPOADSA-N 2 1 251.374 1.474 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001267282194 1159235182 /nfs/dbraw/zinc/23/51/82/1159235182.db2.gz UJHYGFVKJJQNDQ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001691481764 1159376015 /nfs/dbraw/zinc/37/60/15/1159376015.db2.gz TWABETSMENIQDW-OWCLPIDISA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480966404 1159470683 /nfs/dbraw/zinc/47/06/83/1159470683.db2.gz GOXKKWWZOHMZCD-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480966404 1159470685 /nfs/dbraw/zinc/47/06/85/1159470685.db2.gz GOXKKWWZOHMZCD-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001480966404 1159470688 /nfs/dbraw/zinc/47/06/88/1159470688.db2.gz GOXKKWWZOHMZCD-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001480966404 1159470690 /nfs/dbraw/zinc/47/06/90/1159470690.db2.gz GOXKKWWZOHMZCD-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001267667240 1159562077 /nfs/dbraw/zinc/56/20/77/1159562077.db2.gz QJOHHYMIXVWKPF-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001271844152 1160365920 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C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716479117 1180243456 /nfs/dbraw/zinc/24/34/56/1180243456.db2.gz ZCUBTXXURPNHAH-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725186088 1181913814 /nfs/dbraw/zinc/91/38/14/1181913814.db2.gz MRICDGLMGOZRMP-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP CCc1[nH+]ccn1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049610279 522583912 /nfs/dbraw/zinc/58/39/12/522583912.db2.gz PWNAZAOFZHOYTO-UHFFFAOYSA-N 2 1 269.348 1.835 10 30 CDEEMP C[N@H+](Cc1cccc(C#CC[NH3+])c1)C[C@@H]1CCCCO1 ZINC000049609528 523290381 /nfs/dbraw/zinc/29/03/81/523290381.db2.gz IYTDARQAOFOXGF-KRWDZBQOSA-N 2 1 272.392 1.998 10 30 CDEEMP C[N@H+]1CCCN(CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608760 523806481 /nfs/dbraw/zinc/80/64/81/523806481.db2.gz OAQLRIOFDNSOLT-UHFFFAOYSA-N 2 1 287.407 1.013 10 30 CDEEMP CN1CCC[N@H+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608760 523806487 /nfs/dbraw/zinc/80/64/87/523806487.db2.gz OAQLRIOFDNSOLT-UHFFFAOYSA-N 2 1 287.407 1.013 10 30 CDEEMP CN1CCC[N@@H+](CCOc2cccc(C#CC[NH3+])c2)CC1 ZINC000049608760 523806495 /nfs/dbraw/zinc/80/64/95/523806495.db2.gz OAQLRIOFDNSOLT-UHFFFAOYSA-N 2 1 287.407 1.013 10 30 CDEEMP [NH3+]CC#Cc1ccc(OCC[N@H+]2CCCC[C@@H]2CO)cc1 ZINC000049609775 527151875 /nfs/dbraw/zinc/15/18/75/527151875.db2.gz PVBUSBOUNDGQQH-MRXNPFEDSA-N 2 1 288.391 1.222 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000730278468 574908723 /nfs/dbraw/zinc/90/87/23/574908723.db2.gz NIJNDQJXKFCDFJ-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000730278468 574908725 /nfs/dbraw/zinc/90/87/25/574908725.db2.gz NIJNDQJXKFCDFJ-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C1CCCCC1 ZINC000730278468 574908726 /nfs/dbraw/zinc/90/87/26/574908726.db2.gz NIJNDQJXKFCDFJ-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C1CCCCC1 ZINC000730278468 574908727 /nfs/dbraw/zinc/90/87/27/574908727.db2.gz NIJNDQJXKFCDFJ-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001689056016 1175089202 /nfs/dbraw/zinc/08/92/02/1175089202.db2.gz ORGDXWGQWSUDRJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690188648 1175400159 /nfs/dbraw/zinc/40/01/59/1175400159.db2.gz LIXDNPGABPWFFX-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624280 613027618 /nfs/dbraw/zinc/02/76/18/613027618.db2.gz CJBJUVMPMZNVHU-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624280 613027620 /nfs/dbraw/zinc/02/76/20/613027620.db2.gz CJBJUVMPMZNVHU-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624280 613027622 /nfs/dbraw/zinc/02/76/22/613027622.db2.gz CJBJUVMPMZNVHU-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903505617 626009673 /nfs/dbraw/zinc/00/96/73/626009673.db2.gz FGCJDDAOUCBKNF-CWRNSKLLSA-N 2 1 263.429 1.852 10 30 CDEEMP C=CC[C@H](C)[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505617 626009675 /nfs/dbraw/zinc/00/96/75/626009675.db2.gz FGCJDDAOUCBKNF-CWRNSKLLSA-N 2 1 263.429 1.852 10 30 CDEEMP C=CC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903505617 626009676 /nfs/dbraw/zinc/00/96/76/626009676.db2.gz FGCJDDAOUCBKNF-CWRNSKLLSA-N 2 1 263.429 1.852 10 30 CDEEMP C=CC[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903913165 626145448 /nfs/dbraw/zinc/14/54/48/626145448.db2.gz AGGZJCHPEFFULU-ZDUSSCGKSA-N 2 1 262.401 1.496 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000912296819 629899015 /nfs/dbraw/zinc/89/90/15/629899015.db2.gz LBPQKAKYARGIOF-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001700366890 1158972090 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1.626 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1C ZINC001691654511 1161417862 /nfs/dbraw/zinc/41/78/62/1161417862.db2.gz RUGRNLGJVOWMDB-ILXRZTDVSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@H](F)C2)CC1 ZINC001616329935 1165565347 /nfs/dbraw/zinc/56/53/47/1165565347.db2.gz BLBADWIVKXMDJX-ZDUSSCGKSA-N 2 1 283.391 1.187 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001567309364 1168670798 /nfs/dbraw/zinc/67/07/98/1168670798.db2.gz YOWXPPLSLAQXDN-UHFFFAOYSA-N 2 1 275.396 1.596 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001570183677 1170104862 /nfs/dbraw/zinc/10/48/62/1170104862.db2.gz OZRYCTMDADUAPY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570676922 1170229514 /nfs/dbraw/zinc/22/95/14/1170229514.db2.gz MPDFTZVTYXGSFW-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@H]12 ZINC001659901278 1172144280 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10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001690278231 1175421787 /nfs/dbraw/zinc/42/17/87/1175421787.db2.gz BASAHRUIQCLXMV-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690383275 1175457239 /nfs/dbraw/zinc/45/72/39/1175457239.db2.gz LLRWOCDOVLJKCI-CABCVRRESA-N 2 1 297.418 1.128 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001690849505 1175591187 /nfs/dbraw/zinc/59/11/87/1175591187.db2.gz DLMIHKIKZBDLLI-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001691866646 1175639855 /nfs/dbraw/zinc/63/98/55/1175639855.db2.gz CMNOKXIHCULUGD-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691866646 1175639857 /nfs/dbraw/zinc/63/98/57/1175639857.db2.gz CMNOKXIHCULUGD-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001692380438 1175756217 /nfs/dbraw/zinc/75/62/17/1175756217.db2.gz TWEALNHJCHHMRJ-JYJNAYRXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001692380438 1175756221 /nfs/dbraw/zinc/75/62/21/1175756221.db2.gz TWEALNHJCHHMRJ-JYJNAYRXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001692380438 1175756223 /nfs/dbraw/zinc/75/62/23/1175756223.db2.gz TWEALNHJCHHMRJ-JYJNAYRXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001698845667 1175960749 /nfs/dbraw/zinc/96/07/49/1175960749.db2.gz MWJZXISGJPBCKU-OCCSQVGLSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699869934 1176662323 /nfs/dbraw/zinc/66/23/23/1176662323.db2.gz WAZHOJLJANDBAP-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001699869934 1176662328 /nfs/dbraw/zinc/66/23/28/1176662328.db2.gz WAZHOJLJANDBAP-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001699869934 1176662333 /nfs/dbraw/zinc/66/23/33/1176662333.db2.gz WAZHOJLJANDBAP-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001700885479 1177177172 /nfs/dbraw/zinc/17/71/72/1177177172.db2.gz POWQNHNDXISFMJ-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001700885479 1177177182 /nfs/dbraw/zinc/17/71/82/1177177182.db2.gz POWQNHNDXISFMJ-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001700885479 1177177191 /nfs/dbraw/zinc/17/71/91/1177177191.db2.gz POWQNHNDXISFMJ-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001707056265 1177931669 /nfs/dbraw/zinc/93/16/69/1177931669.db2.gz WNAKUBYJMSBNLT-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001713512843 1178617773 /nfs/dbraw/zinc/61/77/73/1178617773.db2.gz UBVDEDAHCSSGQS-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001713785041 1178752401 /nfs/dbraw/zinc/75/24/01/1178752401.db2.gz FGOSMFHXCQWCAC-UHFFFAOYSA-N 2 1 267.417 1.435 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCCCCC)C1 ZINC001714018798 1178930199 /nfs/dbraw/zinc/93/01/99/1178930199.db2.gz PECRWOIBFBRWEB-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCCCCC)C1 ZINC001714018798 1178930204 /nfs/dbraw/zinc/93/02/04/1178930204.db2.gz PECRWOIBFBRWEB-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CCCCCC)C1 ZINC001714018798 1178930211 /nfs/dbraw/zinc/93/02/11/1178930211.db2.gz PECRWOIBFBRWEB-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001714114908 1178977568 /nfs/dbraw/zinc/97/75/68/1178977568.db2.gz KAQZEOQVHONHIU-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001714114908 1178977574 /nfs/dbraw/zinc/97/75/74/1178977574.db2.gz KAQZEOQVHONHIU-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001714114908 1178977564 /nfs/dbraw/zinc/97/75/64/1178977564.db2.gz KAQZEOQVHONHIU-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001714170034 1179001007 /nfs/dbraw/zinc/00/10/07/1179001007.db2.gz XCDNSRCWTHJCTG-INIZCTEOSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001714666139 1179312267 /nfs/dbraw/zinc/31/22/67/1179312267.db2.gz GQNUUTXPEBUOGC-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001714666139 1179312274 /nfs/dbraw/zinc/31/22/74/1179312274.db2.gz GQNUUTXPEBUOGC-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714703409 1179346529 /nfs/dbraw/zinc/34/65/29/1179346529.db2.gz DOFQOEVWNDTZQF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001714867257 1179428524 /nfs/dbraw/zinc/42/85/24/1179428524.db2.gz NMCCZHCESKUSQU-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714867257 1179428529 /nfs/dbraw/zinc/42/85/29/1179428529.db2.gz NMCCZHCESKUSQU-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714867257 1179428533 /nfs/dbraw/zinc/42/85/33/1179428533.db2.gz NMCCZHCESKUSQU-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001714992960 1179495588 /nfs/dbraw/zinc/49/55/88/1179495588.db2.gz UAHAARNKRIPINE-GJZGRUSLSA-N 2 1 288.395 1.443 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cc[nH+]c1C ZINC001714992960 1179495590 /nfs/dbraw/zinc/49/55/90/1179495590.db2.gz UAHAARNKRIPINE-GJZGRUSLSA-N 2 1 288.395 1.443 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001715362351 1179642570 /nfs/dbraw/zinc/64/25/70/1179642570.db2.gz LLLXGTWNNKCJCG-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001715673039 1179758598 /nfs/dbraw/zinc/75/85/98/1179758598.db2.gz NUZAHKRJJVZMKQ-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715916322 1179912038 /nfs/dbraw/zinc/91/20/38/1179912038.db2.gz WHJPQMMUDLLXRK-MVGZEHJDSA-N 2 1 277.412 1.146 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001716050828 1180022270 /nfs/dbraw/zinc/02/22/70/1180022270.db2.gz KAOZGVYALJLUTI-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716062255 1180027958 /nfs/dbraw/zinc/02/79/58/1180027958.db2.gz DSJGAAKTPNYQQL-ZBFHGGJFSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001716549963 1180280664 /nfs/dbraw/zinc/28/06/64/1180280664.db2.gz NONJRLUZQTUXEX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001716895384 1180455996 /nfs/dbraw/zinc/45/59/96/1180455996.db2.gz AIYQFZLCDWHBPI-MRXNPFEDSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001716895384 1180455999 /nfs/dbraw/zinc/45/59/99/1180455999.db2.gz AIYQFZLCDWHBPI-MRXNPFEDSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001717151534 1180550402 /nfs/dbraw/zinc/55/04/02/1180550402.db2.gz SHSUAAFHABQMTN-ZIAGYGMSSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717373722 1180635199 /nfs/dbraw/zinc/63/51/99/1180635199.db2.gz ORDKYEQISYECPQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001717373722 1180635205 /nfs/dbraw/zinc/63/52/05/1180635205.db2.gz ORDKYEQISYECPQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717601531 1180754727 /nfs/dbraw/zinc/75/47/27/1180754727.db2.gz XHUFJIJYFROJGU-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717601531 1180754734 /nfs/dbraw/zinc/75/47/34/1180754734.db2.gz XHUFJIJYFROJGU-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001717601531 1180754744 /nfs/dbraw/zinc/75/47/44/1180754744.db2.gz XHUFJIJYFROJGU-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001717623846 1180763314 /nfs/dbraw/zinc/76/33/14/1180763314.db2.gz NUTNQDPYMHVMDV-RRFJBIMHSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001717652183 1180776125 /nfs/dbraw/zinc/77/61/25/1180776125.db2.gz HHNBKVCQLIRNQB-LDKKBFSKSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001717739427 1180819149 /nfs/dbraw/zinc/81/91/49/1180819149.db2.gz TUUIJCIFKAEWPU-OCCSQVGLSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001717804534 1180864320 /nfs/dbraw/zinc/86/43/20/1180864320.db2.gz FXJOHSUTENWIQI-ZIAGYGMSSA-N 2 1 267.417 1.482 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001724175247 1181648017 /nfs/dbraw/zinc/64/80/17/1181648017.db2.gz WLCJNKYEWGEDBR-OAHLLOKOSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724335442 1181665677 /nfs/dbraw/zinc/66/56/77/1181665677.db2.gz ZROQCSYEDCVBQT-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427847 1181997947 /nfs/dbraw/zinc/99/79/47/1181997947.db2.gz VNWQQPRGYRAVSC-UHFFFAOYSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725470228 1182011464 /nfs/dbraw/zinc/01/14/64/1182011464.db2.gz LIGHMQBSBVTTMU-HIFRSBDPSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CCC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CCC)CC1 ZINC001731386612 1182349617 /nfs/dbraw/zinc/34/96/17/1182349617.db2.gz VYRDMHFPHCFGAQ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732582384 1183027529 /nfs/dbraw/zinc/02/75/29/1183027529.db2.gz ZVAZRAIMKSFSII-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732582384 1183027534 /nfs/dbraw/zinc/02/75/34/1183027534.db2.gz ZVAZRAIMKSFSII-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CCN(C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732582384 1183027513 /nfs/dbraw/zinc/02/75/13/1183027513.db2.gz ZVAZRAIMKSFSII-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001732582384 1183027520 /nfs/dbraw/zinc/02/75/20/1183027520.db2.gz ZVAZRAIMKSFSII-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001732582384 1183027524 /nfs/dbraw/zinc/02/75/24/1183027524.db2.gz ZVAZRAIMKSFSII-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733052568 1183265950 /nfs/dbraw/zinc/26/59/50/1183265950.db2.gz DPIJLVBGHAGJFT-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733052568 1183265951 /nfs/dbraw/zinc/26/59/51/1183265951.db2.gz DPIJLVBGHAGJFT-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733052568 1183265953 /nfs/dbraw/zinc/26/59/53/1183265953.db2.gz DPIJLVBGHAGJFT-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001733083652 1183282401 /nfs/dbraw/zinc/28/24/01/1183282401.db2.gz NLIKLRFHBKQTLX-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001733106315 1183292926 /nfs/dbraw/zinc/29/29/26/1183292926.db2.gz DRHBBFHMQFVKTJ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001733221513 1183349741 /nfs/dbraw/zinc/34/97/41/1183349741.db2.gz CZMJXRQQVLQGQZ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001733414259 1183425798 /nfs/dbraw/zinc/42/57/98/1183425798.db2.gz VWVRLLXGEAPNGL-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001733414259 1183425799 /nfs/dbraw/zinc/42/57/99/1183425799.db2.gz VWVRLLXGEAPNGL-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001733414259 1183425800 /nfs/dbraw/zinc/42/58/00/1183425800.db2.gz VWVRLLXGEAPNGL-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001734596507 1183840281 /nfs/dbraw/zinc/84/02/81/1183840281.db2.gz VQWSTTMRCUUKOA-YMAMQOFZSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001490804959 1164866103 /nfs/dbraw/zinc/86/61/03/1164866103.db2.gz BBUFNQQFFGAKQU-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001490804959 1164866108 /nfs/dbraw/zinc/86/61/08/1164866108.db2.gz BBUFNQQFFGAKQU-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001490804959 1164866111 /nfs/dbraw/zinc/86/61/11/1164866111.db2.gz BBUFNQQFFGAKQU-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001490804959 1164866118 /nfs/dbraw/zinc/86/61/18/1164866118.db2.gz BBUFNQQFFGAKQU-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001622172110 1165717976 /nfs/dbraw/zinc/71/79/76/1165717976.db2.gz PXXWBKOLKHIYQP-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000876718920 1165900971 /nfs/dbraw/zinc/90/09/71/1165900971.db2.gz YYIZBGVISUPDCQ-LLVKDONJSA-N 2 1 259.781 1.009 10 30 CDEEMP C=CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000878198599 1166159282 /nfs/dbraw/zinc/15/92/82/1166159282.db2.gz NMRQRLQMFCLCNL-ZIAGYGMSSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000878326451 1166174662 /nfs/dbraw/zinc/17/46/62/1166174662.db2.gz ZJMRYIQNSIWVST-OWCLPIDISA-N 2 1 265.445 1.909 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001483710337 912978844 /nfs/dbraw/zinc/97/88/44/912978844.db2.gz ZFJLVURKYDXDLR-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001483710337 912978856 /nfs/dbraw/zinc/97/88/56/912978856.db2.gz ZFJLVURKYDXDLR-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC(CC)CC ZINC001567286331 1168660515 /nfs/dbraw/zinc/66/05/15/1168660515.db2.gz DYXJGQXGWTZASR-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC(CC)CC ZINC001567286331 1168660526 /nfs/dbraw/zinc/66/05/26/1168660526.db2.gz DYXJGQXGWTZASR-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(CC)CC ZINC001567286331 1168660533 /nfs/dbraw/zinc/66/05/33/1168660533.db2.gz DYXJGQXGWTZASR-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC(CC)CC ZINC001567286331 1168660542 /nfs/dbraw/zinc/66/05/42/1168660542.db2.gz DYXJGQXGWTZASR-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001567324504 1168679383 /nfs/dbraw/zinc/67/93/83/1168679383.db2.gz QPGGJIMJOQAXHC-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567374071 1168716207 /nfs/dbraw/zinc/71/62/07/1168716207.db2.gz QFRPIYCPMBHHRX-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001266252355 893921474 /nfs/dbraw/zinc/92/14/74/893921474.db2.gz SBSFFOFAVSPLDM-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266285416 894125737 /nfs/dbraw/zinc/12/57/37/894125737.db2.gz XVFGRIRQQRYANT-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266285416 894125742 /nfs/dbraw/zinc/12/57/42/894125742.db2.gz XVFGRIRQQRYANT-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266285416 894125747 /nfs/dbraw/zinc/12/57/47/894125747.db2.gz XVFGRIRQQRYANT-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266399120 894699014 /nfs/dbraw/zinc/69/90/14/894699014.db2.gz LMMVUCYBCSVEFY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266399120 894699025 /nfs/dbraw/zinc/69/90/25/894699025.db2.gz LMMVUCYBCSVEFY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266399120 894699034 /nfs/dbraw/zinc/69/90/34/894699034.db2.gz LMMVUCYBCSVEFY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266411162 894750727 /nfs/dbraw/zinc/75/07/27/894750727.db2.gz OXJWTURBYPWEQB-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001266411162 894750733 /nfs/dbraw/zinc/75/07/33/894750733.db2.gz OXJWTURBYPWEQB-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001266411162 894750739 /nfs/dbraw/zinc/75/07/39/894750739.db2.gz OXJWTURBYPWEQB-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533591 895256371 /nfs/dbraw/zinc/25/63/71/895256371.db2.gz MTGXIRYONLXTQP-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001267211509 897161712 /nfs/dbraw/zinc/16/17/12/897161712.db2.gz WDULWLGESWHJTC-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267580412 898515288 /nfs/dbraw/zinc/51/52/88/898515288.db2.gz WMORZCVUJWAMFP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267580412 898515296 /nfs/dbraw/zinc/51/52/96/898515296.db2.gz WMORZCVUJWAMFP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267580412 898515308 /nfs/dbraw/zinc/51/53/08/898515308.db2.gz WMORZCVUJWAMFP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267777711 899699883 /nfs/dbraw/zinc/69/98/83/899699883.db2.gz QQROCPGMLVPOKA-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267777711 899699889 /nfs/dbraw/zinc/69/98/89/899699889.db2.gz QQROCPGMLVPOKA-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2ccnc2)C1 ZINC001267793891 899744565 /nfs/dbraw/zinc/74/45/65/899744565.db2.gz KNDUSRMSPNITSS-CQSZACIVSA-N 2 1 276.384 1.382 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001496366388 899928086 /nfs/dbraw/zinc/92/80/86/899928086.db2.gz BVNJBSQQMHHZRC-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000103895662 900036913 /nfs/dbraw/zinc/03/69/13/900036913.db2.gz LWEFOYCOLKDFFL-CYBMUJFWSA-N 2 1 284.448 1.451 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001481539134 901114145 /nfs/dbraw/zinc/11/41/45/901114145.db2.gz XUTPFPRPYVNPHU-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481539134 901114149 /nfs/dbraw/zinc/11/41/49/901114149.db2.gz XUTPFPRPYVNPHU-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481539134 901114151 /nfs/dbraw/zinc/11/41/51/901114151.db2.gz XUTPFPRPYVNPHU-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268079415 901121161 /nfs/dbraw/zinc/12/11/61/901121161.db2.gz BNLSJLREAFGTAV-ZNMIVQPWSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268252811 901671443 /nfs/dbraw/zinc/67/14/43/901671443.db2.gz GQEVBJDLMGOHIF-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268252811 901671445 /nfs/dbraw/zinc/67/14/45/901671445.db2.gz GQEVBJDLMGOHIF-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268252811 901671449 /nfs/dbraw/zinc/67/14/49/901671449.db2.gz GQEVBJDLMGOHIF-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001268471857 902249209 /nfs/dbraw/zinc/24/92/09/902249209.db2.gz UKBNOYSAGADTKW-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481946042 902389191 /nfs/dbraw/zinc/38/91/91/902389191.db2.gz HKXRHRHUCSVZRT-PBHICJAKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001482135193 902694863 /nfs/dbraw/zinc/69/48/63/902694863.db2.gz FSVMLRRKRCZZJK-GXTWGEPZSA-N 2 1 290.411 1.282 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001482173560 902802487 /nfs/dbraw/zinc/80/24/87/902802487.db2.gz ODQGTMXISJIRQE-HOCLYGCPSA-N 2 1 287.407 1.264 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001268648977 902890823 /nfs/dbraw/zinc/89/08/23/902890823.db2.gz AQPFNKSGTXIMNI-GDBMZVCRSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001268731968 903051864 /nfs/dbraw/zinc/05/18/64/903051864.db2.gz DSKDSYHSNHVMGF-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001268731968 903051875 /nfs/dbraw/zinc/05/18/75/903051875.db2.gz DSKDSYHSNHVMGF-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001268731968 903051881 /nfs/dbraw/zinc/05/18/81/903051881.db2.gz DSKDSYHSNHVMGF-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001284642562 904134449 /nfs/dbraw/zinc/13/44/49/904134449.db2.gz GIFOKNQPFHNTGM-ZDUSSCGKSA-N 2 1 267.417 1.082 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001270624296 904832790 /nfs/dbraw/zinc/83/27/90/904832790.db2.gz OSNUQHUZWYRPFO-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001270650592 904884228 /nfs/dbraw/zinc/88/42/28/904884228.db2.gz WUJYCUHOAMEZQB-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482392896 905290348 /nfs/dbraw/zinc/29/03/48/905290348.db2.gz JXPGFXFBKVGMAB-JKSUJKDBSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[N@@H+](CC)C1 ZINC001270966427 905503245 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C=CCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001482628315 908077528 /nfs/dbraw/zinc/07/75/28/908077528.db2.gz NARFLLXKMBRAFH-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001482628315 908077538 /nfs/dbraw/zinc/07/75/38/908077538.db2.gz NARFLLXKMBRAFH-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001482899488 908466916 /nfs/dbraw/zinc/46/69/16/908466916.db2.gz QICORTMCZZKVDI-NEPJUHHUSA-N 2 1 273.808 1.175 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001483018845 908695679 /nfs/dbraw/zinc/69/56/79/908695679.db2.gz DNKJMEOTCNBIIV-QGZUEGPWSA-N 2 1 289.423 1.146 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC1 ZINC001483018845 908695685 /nfs/dbraw/zinc/69/56/85/908695685.db2.gz DNKJMEOTCNBIIV-QGZUEGPWSA-N 2 1 289.423 1.146 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567977498 1169104195 /nfs/dbraw/zinc/10/41/95/1169104195.db2.gz YIXYNAAPXSDGOE-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001483198041 909958372 /nfs/dbraw/zinc/95/83/72/909958372.db2.gz VKLKMXXNAPUHOL-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001483248610 910729344 /nfs/dbraw/zinc/72/93/44/910729344.db2.gz IONPVFVRPOBOHE-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484126472 915448310 /nfs/dbraw/zinc/44/83/10/915448310.db2.gz WPPCWKOFUUIMCD-DZGCQCFKSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCn2cncc2C1 ZINC001485320707 916808025 /nfs/dbraw/zinc/80/80/25/916808025.db2.gz RHWIXQAYKRGHTL-ZIAGYGMSSA-N 2 1 290.411 1.458 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485387102 916936539 /nfs/dbraw/zinc/93/65/39/916936539.db2.gz DAQSDWMKTALCPT-GOEBONIOSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485387102 916936553 /nfs/dbraw/zinc/93/65/53/916936553.db2.gz DAQSDWMKTALCPT-GOEBONIOSA-N 2 1 289.423 1.912 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001568303024 1169234561 /nfs/dbraw/zinc/23/45/61/1169234561.db2.gz INDCOYHTTYLKKZ-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001486423113 920993997 /nfs/dbraw/zinc/99/39/97/920993997.db2.gz JMRMKWYQLVTRCR-AWEZNQCLSA-N 2 1 292.427 1.888 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001490665763 927276574 /nfs/dbraw/zinc/27/65/74/927276574.db2.gz TXNGOPDOKGALGJ-HRCADAONSA-N 2 1 291.439 1.224 10 30 CDEEMP O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000852898527 927912006 /nfs/dbraw/zinc/91/20/06/927912006.db2.gz RXQZTEYLNZGVNU-CVEARBPZSA-N 2 1 289.423 1.123 10 30 CDEEMP C#CCC1(O)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000880481544 929688140 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C=C[C@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691900904 933175775 /nfs/dbraw/zinc/17/57/75/933175775.db2.gz QAARKOZDELHWCZ-CYBMUJFWSA-N 2 1 266.385 1.522 10 30 CDEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276326282 935012115 /nfs/dbraw/zinc/01/21/15/935012115.db2.gz GGOXJRLZKBALDF-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001276326282 935012119 /nfs/dbraw/zinc/01/21/19/935012119.db2.gz GGOXJRLZKBALDF-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001278258955 945219210 /nfs/dbraw/zinc/21/92/10/945219210.db2.gz IVQGVXMJNIDQIT-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001568678586 1169427093 /nfs/dbraw/zinc/42/70/93/1169427093.db2.gz VJLQSCPKFJHGEU-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001281404530 942571786 /nfs/dbraw/zinc/57/17/86/942571786.db2.gz BIESVOZQPGVBHO-GOEBONIOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001282652958 942735505 /nfs/dbraw/zinc/73/55/05/942735505.db2.gz CQRWKKSUZGVGOO-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001282834515 942757013 /nfs/dbraw/zinc/75/70/13/942757013.db2.gz WVQWWFFOFKKIPD-ZIAGYGMSSA-N 2 1 281.444 1.585 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001284241716 943128463 /nfs/dbraw/zinc/12/84/63/943128463.db2.gz BNSSXBYEOTULQX-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379681626 943849904 /nfs/dbraw/zinc/84/99/04/943849904.db2.gz RXYNDWGQBNXUIX-KRWDZBQOSA-N 2 1 299.418 1.380 10 30 CDEEMP C#CC[NH2+]CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379681626 943849909 /nfs/dbraw/zinc/84/99/09/943849909.db2.gz RXYNDWGQBNXUIX-KRWDZBQOSA-N 2 1 299.418 1.380 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001265051026 944215416 /nfs/dbraw/zinc/21/54/16/944215416.db2.gz VKHBOHMZJPVKCS-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265092798 944226898 /nfs/dbraw/zinc/22/68/98/944226898.db2.gz VCLIPHZPTAHJHO-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265093281 944228179 /nfs/dbraw/zinc/22/81/79/944228179.db2.gz YIERNQDVTVGJLH-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001265312095 944337663 /nfs/dbraw/zinc/33/76/63/944337663.db2.gz HFXVYEYGVCWBGQ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001265390494 944370986 /nfs/dbraw/zinc/37/09/86/944370986.db2.gz GPKKIEQMXYSNGW-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265390494 944370988 /nfs/dbraw/zinc/37/09/88/944370988.db2.gz GPKKIEQMXYSNGW-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265390494 944370994 /nfs/dbraw/zinc/37/09/94/944370994.db2.gz GPKKIEQMXYSNGW-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001265390495 944371603 /nfs/dbraw/zinc/37/16/03/944371603.db2.gz GPKKIEQMXYSNGW-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001265390495 944371617 /nfs/dbraw/zinc/37/16/17/944371617.db2.gz GPKKIEQMXYSNGW-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001265390495 944371625 /nfs/dbraw/zinc/37/16/25/944371625.db2.gz GPKKIEQMXYSNGW-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001265596987 944442729 /nfs/dbraw/zinc/44/27/29/944442729.db2.gz OAFZZMXJSOVWOU-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001265596987 944442735 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C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001317544844 957541296 /nfs/dbraw/zinc/54/12/96/957541296.db2.gz SXPLEIGFHVDTMT-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001317544844 957541303 /nfs/dbraw/zinc/54/13/03/957541303.db2.gz SXPLEIGFHVDTMT-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001317544844 957541308 /nfs/dbraw/zinc/54/13/08/957541308.db2.gz SXPLEIGFHVDTMT-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001317561037 957555777 /nfs/dbraw/zinc/55/57/77/957555777.db2.gz FHKSQJCQRXDMOB-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001317561037 957555782 /nfs/dbraw/zinc/55/57/82/957555782.db2.gz FHKSQJCQRXDMOB-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001317561037 957555787 /nfs/dbraw/zinc/55/57/87/957555787.db2.gz FHKSQJCQRXDMOB-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001317598052 957590093 /nfs/dbraw/zinc/59/00/93/957590093.db2.gz FXQKJQNOXMQCCQ-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001317761245 957655293 /nfs/dbraw/zinc/65/52/93/957655293.db2.gz IDGSFSHODYUYGR-HZPDHXFCSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCN(C)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001332732908 957694540 /nfs/dbraw/zinc/69/45/40/957694540.db2.gz UIQPMGCWMYGHNG-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001332732908 957694548 /nfs/dbraw/zinc/69/45/48/957694548.db2.gz UIQPMGCWMYGHNG-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001332732908 957694554 /nfs/dbraw/zinc/69/45/54/957694554.db2.gz UIQPMGCWMYGHNG-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)C ZINC001332732908 957694563 /nfs/dbraw/zinc/69/45/63/957694563.db2.gz UIQPMGCWMYGHNG-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001332732908 957694571 /nfs/dbraw/zinc/69/45/71/957694571.db2.gz UIQPMGCWMYGHNG-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001332736084 957699558 /nfs/dbraw/zinc/69/95/58/957699558.db2.gz VWNADRUFJREHET-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001319620930 958658452 /nfs/dbraw/zinc/65/84/52/958658452.db2.gz QLAUYTNSNRLAOD-OAHLLOKOSA-N 2 1 292.427 1.888 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320058256 958907036 /nfs/dbraw/zinc/90/70/36/958907036.db2.gz JZMILBOQJLXSNV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001320058256 958907052 /nfs/dbraw/zinc/90/70/52/958907052.db2.gz JZMILBOQJLXSNV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001320058256 958907068 /nfs/dbraw/zinc/90/70/68/958907068.db2.gz JZMILBOQJLXSNV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321533235 959839565 /nfs/dbraw/zinc/83/95/65/959839565.db2.gz SWAIZMIBIICTLP-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001322306146 960176565 /nfs/dbraw/zinc/17/65/65/960176565.db2.gz IHXVMIIFWVCKLY-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001437973222 963261901 /nfs/dbraw/zinc/26/19/01/963261901.db2.gz FOJYKOKHMPNUMI-KBPBESRZSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001437973222 963261915 /nfs/dbraw/zinc/26/19/15/963261915.db2.gz FOJYKOKHMPNUMI-KBPBESRZSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001437973222 963261928 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C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001496097967 972792240 /nfs/dbraw/zinc/79/22/40/972792240.db2.gz JSSRKLNKNDZXRJ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)CC(C)C ZINC001496277119 972869787 /nfs/dbraw/zinc/86/97/87/972869787.db2.gz WIHPTLLIDYVDTQ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC)CC(C)C ZINC001496277119 972869795 /nfs/dbraw/zinc/86/97/95/972869795.db2.gz WIHPTLLIDYVDTQ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586692 973422126 /nfs/dbraw/zinc/42/21/26/973422126.db2.gz XTSQAJWRIKUGKX-HLMASZERSA-N 2 1 265.401 1.165 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001497842493 973547059 /nfs/dbraw/zinc/54/70/59/973547059.db2.gz KLDWEARNHMFABX-CQSZACIVSA-N 2 1 293.455 1.757 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001374271883 973869854 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C#CC[N@H+](CC)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001505400175 974859590 /nfs/dbraw/zinc/85/95/90/974859590.db2.gz FSCOISQIGGGUBE-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001505450003 974883886 /nfs/dbraw/zinc/88/38/86/974883886.db2.gz SXXJIKDOHKAIID-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC(=C)C ZINC001505938193 975050588 /nfs/dbraw/zinc/05/05/88/975050588.db2.gz UTYSZVBIKRGORQ-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(=C)C ZINC001505938193 975050591 /nfs/dbraw/zinc/05/05/91/975050591.db2.gz UTYSZVBIKRGORQ-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(=C)C ZINC001505938193 975050593 /nfs/dbraw/zinc/05/05/93/975050593.db2.gz UTYSZVBIKRGORQ-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC(=C)C ZINC001505938193 975050594 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C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001676754598 1174266841 /nfs/dbraw/zinc/26/68/41/1174266841.db2.gz GHNHGQNRAAMYEH-KBPBESRZSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001677033319 1174309483 /nfs/dbraw/zinc/30/94/83/1174309483.db2.gz XETRJAYOIKICFJ-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001677281472 1174344518 /nfs/dbraw/zinc/34/45/18/1174344518.db2.gz JLRZNOZABKKSCV-ZIAGYGMSSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001570197793 1170102473 /nfs/dbraw/zinc/10/24/73/1170102473.db2.gz UKWNLFNRALUFHF-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001570197793 1170102475 /nfs/dbraw/zinc/10/24/75/1170102475.db2.gz UKWNLFNRALUFHF-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001570197793 1170102478 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10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000600714576 342242272 /nfs/dbraw/zinc/24/22/72/342242272.db2.gz AIRDQVFQNQHUCJ-MELADBBJSA-N 2 1 263.385 1.258 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000600714576 342242273 /nfs/dbraw/zinc/24/22/73/342242273.db2.gz AIRDQVFQNQHUCJ-MELADBBJSA-N 2 1 263.385 1.258 10 30 CDEEMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600726708 342245314 /nfs/dbraw/zinc/24/53/14/342245314.db2.gz UHEYNXNEZPPFKN-AWEZNQCLSA-N 2 1 276.384 1.616 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001661555063 1172405390 /nfs/dbraw/zinc/40/53/90/1172405390.db2.gz IMDNHXSGSZBPNA-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001661817820 1172450871 /nfs/dbraw/zinc/45/08/71/1172450871.db2.gz CBAJEPFEJHVMBU-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001662350854 1172534454 /nfs/dbraw/zinc/53/44/54/1172534454.db2.gz NYDGPPRGGSKXDX-ZIAGYGMSSA-N 2 1 267.417 1.530 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001663184951 1172652161 /nfs/dbraw/zinc/65/21/61/1172652161.db2.gz HKXBMPILCYFKDH-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663184951 1172652164 /nfs/dbraw/zinc/65/21/64/1172652164.db2.gz HKXBMPILCYFKDH-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001663184951 1172652169 /nfs/dbraw/zinc/65/21/69/1172652169.db2.gz HKXBMPILCYFKDH-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001663231143 1172660183 /nfs/dbraw/zinc/66/01/83/1172660183.db2.gz VCDSBNLEVCPKLX-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP CC(C)[NH+]1CCC([N@@H+](C)CCOCCC#N)CC1 ZINC000338953280 391233641 /nfs/dbraw/zinc/23/36/41/391233641.db2.gz KGVDHWIZZQXRLE-UHFFFAOYSA-N 2 1 253.390 1.721 10 30 CDEEMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011576 391242172 /nfs/dbraw/zinc/24/21/72/391242172.db2.gz QIGXAKVGJIDAHL-CQSZACIVSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011576 391242176 /nfs/dbraw/zinc/24/21/76/391242176.db2.gz QIGXAKVGJIDAHL-CQSZACIVSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339011576 391242179 /nfs/dbraw/zinc/24/21/79/391242179.db2.gz QIGXAKVGJIDAHL-CQSZACIVSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339011576 391242182 /nfs/dbraw/zinc/24/21/82/391242182.db2.gz QIGXAKVGJIDAHL-CQSZACIVSA-N 2 1 253.390 1.580 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@H+](C)CCCC)CCC[NH2+]1 ZINC000662701812 413348084 /nfs/dbraw/zinc/34/80/84/413348084.db2.gz SLLNQALCZWDPMP-OAHLLOKOSA-N 2 1 267.417 1.533 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCC[NH2+]1 ZINC000662804024 413522440 /nfs/dbraw/zinc/52/24/40/413522440.db2.gz NVZNMOFNDCAYCQ-BFYDXBDKSA-N 2 1 291.439 1.627 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855264 424528689 /nfs/dbraw/zinc/52/86/89/424528689.db2.gz WCKAWTUAKUYEIC-CJNGLKHVSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CCC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001667098651 1173234663 /nfs/dbraw/zinc/23/46/63/1173234663.db2.gz XGIGCRWMDLMUPG-OAHLLOKOSA-N 2 1 290.411 1.335 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001668326707 1173397543 /nfs/dbraw/zinc/39/75/43/1173397543.db2.gz UQNWBRIFLCBWTH-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001672897563 1173807495 /nfs/dbraw/zinc/80/74/95/1173807495.db2.gz SJJQQKPHLSWJRE-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267032709 1159094291 /nfs/dbraw/zinc/09/42/91/1159094291.db2.gz LGTICAIGIPUOMZ-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C[C@H]1C[NH+]=C(NCCc2[nH+]ccn2Cc2ccccc2)N1 ZINC000262199486 330001826 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CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001691679316 1161560457 /nfs/dbraw/zinc/56/04/57/1161560457.db2.gz SNELDCHCGWKMNG-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001691679316 1161560461 /nfs/dbraw/zinc/56/04/61/1161560461.db2.gz SNELDCHCGWKMNG-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715695911 1179767610 /nfs/dbraw/zinc/76/76/10/1179767610.db2.gz JOAQTHJRRLDKLR-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCn1cc(C[NH2+]C[C@@H]2CC[N@H+](CC=C)C2)c(C)n1 ZINC000055211640 519280157 /nfs/dbraw/zinc/28/01/57/519280157.db2.gz JQDSISWCNPCQJZ-HNNXBMFYSA-N 2 1 274.412 1.975 10 30 CDEEMP C=CCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CC=C)C2)c(C)n1 ZINC000055211640 519280160 /nfs/dbraw/zinc/28/01/60/519280160.db2.gz JQDSISWCNPCQJZ-HNNXBMFYSA-N 2 1 274.412 1.975 10 30 CDEEMP CC(C)C[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 ZINC000049608988 519708884 /nfs/dbraw/zinc/70/88/84/519708884.db2.gz GHLZGIVIMWFIAP-UHFFFAOYSA-N 2 1 260.381 1.963 10 30 CDEEMP CCC[N@@H+](CCO)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609664 521667446 /nfs/dbraw/zinc/66/74/46/521667446.db2.gz ZBSOAHMXWPCIDN-UHFFFAOYSA-N 2 1 264.344 1.340 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609569 522215139 /nfs/dbraw/zinc/21/51/39/522215139.db2.gz CLNQJILKAAAKDB-CQSZACIVSA-N 2 1 276.380 1.342 10 30 CDEEMP O=C(C[N@@H+]1CC[C@H](CCO)C1)NC1CC[NH+](C2CC2)CC1 ZINC000329619162 538595087 /nfs/dbraw/zinc/59/50/87/538595087.db2.gz QTGWDRMKMZGPQA-CYBMUJFWSA-N 2 1 295.427 1.274 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941158741 613259552 /nfs/dbraw/zinc/25/95/52/613259552.db2.gz UZLNINXMTNSIKC-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941158741 613259554 /nfs/dbraw/zinc/25/95/54/613259554.db2.gz UZLNINXMTNSIKC-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941158741 613259556 /nfs/dbraw/zinc/25/95/56/613259556.db2.gz UZLNINXMTNSIKC-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC000940843110 613785186 /nfs/dbraw/zinc/78/51/86/613785186.db2.gz XGVYHMRFFSENNV-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP Cc1cccc(NC(=[NH2+])NCCN2CCC[N@H+](C)CC2)c1 ZINC000104175046 617483744 /nfs/dbraw/zinc/48/37/44/617483744.db2.gz QQGFUCDIVDCDTR-UHFFFAOYSA-N 2 1 289.427 1.359 10 30 CDEEMP C#CC[N@H+](C)CCCNCc1ccc(OCC)o1 ZINC000894638474 619000288 /nfs/dbraw/zinc/00/02/88/619000288.db2.gz BQDXDEYJOGUFTG-UHFFFAOYSA-N 2 1 250.342 1.723 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000912764518 630195449 /nfs/dbraw/zinc/19/54/49/630195449.db2.gz AEVKJFQRJQPPOD-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266994580 1159072413 /nfs/dbraw/zinc/07/24/13/1159072413.db2.gz NPUDUNUWKUSNQY-ZBFHGGJFSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001269083903 1160029499 /nfs/dbraw/zinc/02/94/99/1160029499.db2.gz HQJJBYSETBDMQD-HZPDHXFCSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700651741 1160709179 /nfs/dbraw/zinc/70/91/79/1160709179.db2.gz OPYFICHLANEIHS-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001691674869 1161557214 /nfs/dbraw/zinc/55/72/14/1161557214.db2.gz NTGVBJFDJIDWIJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001691674869 1161557219 /nfs/dbraw/zinc/55/72/19/1161557219.db2.gz NTGVBJFDJIDWIJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001691674869 1161557225 /nfs/dbraw/zinc/55/72/25/1161557225.db2.gz NTGVBJFDJIDWIJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001691674869 1161557232 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1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001698573481 1175851269 /nfs/dbraw/zinc/85/12/69/1175851269.db2.gz DLEGNKUIJCTMDX-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001698573481 1175851271 /nfs/dbraw/zinc/85/12/71/1175851271.db2.gz DLEGNKUIJCTMDX-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@H+](C)CCC)cc1 ZINC001698719170 1175902464 /nfs/dbraw/zinc/90/24/64/1175902464.db2.gz IBFBWPLOHSLAPK-UHFFFAOYSA-N 2 1 287.407 1.367 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001046 1176030661 /nfs/dbraw/zinc/03/06/61/1176030661.db2.gz LFPMXLXGFIMJEE-HOTGVXAUSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)CCCC[NH+](C)C ZINC001699467287 1176430024 /nfs/dbraw/zinc/43/00/24/1176430024.db2.gz ILNBULNSFWCDSZ-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001699836468 1176650597 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C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC)CC1 ZINC001570218640 1170114764 /nfs/dbraw/zinc/11/47/64/1170114764.db2.gz YLDIPYBQYPVAFS-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001570740079 1170264780 /nfs/dbraw/zinc/26/47/80/1170264780.db2.gz LDOZWOACSZZRBM-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[N@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001571063417 1170331701 /nfs/dbraw/zinc/33/17/01/1170331701.db2.gz ASTCJKNQHFLOHY-CALCHBBNSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCN(C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001571614079 1170496729 /nfs/dbraw/zinc/49/67/29/1170496729.db2.gz UXNBVANTVIFRHO-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001571614079 1170496736 /nfs/dbraw/zinc/49/67/36/1170496736.db2.gz UXNBVANTVIFRHO-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001571614079 1170496739 /nfs/dbraw/zinc/49/67/39/1170496739.db2.gz UXNBVANTVIFRHO-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001571614079 1170496743 /nfs/dbraw/zinc/49/67/43/1170496743.db2.gz UXNBVANTVIFRHO-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438040 342906042 /nfs/dbraw/zinc/90/60/42/342906042.db2.gz MIUAZXVGXQONOM-GJZGRUSLSA-N 2 1 294.443 1.778 10 30 CDEEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440059 342907126 /nfs/dbraw/zinc/90/71/26/342907126.db2.gz YWXMLKQMEHWNOG-GJZGRUSLSA-N 2 1 294.443 1.730 10 30 CDEEMP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091538616 342405075 /nfs/dbraw/zinc/40/50/75/342405075.db2.gz PYDJHHAFOKFMIU-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001660476560 1172219173 /nfs/dbraw/zinc/21/91/73/1172219173.db2.gz WBPHUFCRDJTBGH-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000337948281 358536366 /nfs/dbraw/zinc/53/63/66/358536366.db2.gz WQJKFIFCZWRRFA-UHFFFAOYSA-N 2 1 294.362 1.891 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001661678423 1172426223 /nfs/dbraw/zinc/42/62/23/1172426223.db2.gz LVEGCODSGRHCFS-BETUJISGSA-N 2 1 253.390 1.141 10 30 CDEEMP C[C@@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000161505737 375651161 /nfs/dbraw/zinc/65/11/61/375651161.db2.gz DDBMWWNWCPSALE-RDBSUJKOSA-N 2 1 282.432 1.190 10 30 CDEEMP C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)C1 ZINC000631258404 376044949 /nfs/dbraw/zinc/04/49/49/376044949.db2.gz RSWSRCWIIGNECW-AWEZNQCLSA-N 2 1 291.439 1.627 10 30 CDEEMP C=C1CC(C)(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000631258404 376044953 /nfs/dbraw/zinc/04/49/53/376044953.db2.gz RSWSRCWIIGNECW-AWEZNQCLSA-N 2 1 291.439 1.627 10 30 CDEEMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662872517 1172605723 /nfs/dbraw/zinc/60/57/23/1172605723.db2.gz NYVARLGLSRBONS-LSDHHAIUSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@H+](CC)C2CC2)CCC[NH2+]1 ZINC000662713843 413368898 /nfs/dbraw/zinc/36/88/98/413368898.db2.gz ZLJRVZCNHZWWTJ-OAHLLOKOSA-N 2 1 265.401 1.285 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845553 413598309 /nfs/dbraw/zinc/59/83/09/413598309.db2.gz JKNFAPMMFPPJOU-WMLDXEAASA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001665996925 1173100251 /nfs/dbraw/zinc/10/02/51/1173100251.db2.gz ZPHCSSJTERREFQ-RDJZCZTQSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H](C)C[N@H+](C)CCCC)CCC[NH2+]1 ZINC000662791305 424478849 /nfs/dbraw/zinc/47/88/49/424478849.db2.gz JIYTYJSXBXMQBP-GOEBONIOSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001667520291 1173279727 /nfs/dbraw/zinc/27/97/27/1173279727.db2.gz YPDCYBSEDRDJGH-HNNXBMFYSA-N 2 1 292.427 1.888 10 30 CDEEMP CC[NH+]=C(NCC[N@H+]1CCC[C@H](C)C1)N[C@@H]1C[C@H]1C ZINC000262825759 330034549 /nfs/dbraw/zinc/03/45/49/330034549.db2.gz QLBIVSQDQJJRHX-BFHYXJOUSA-N 2 1 266.433 1.682 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001267251031 1159210892 /nfs/dbraw/zinc/21/08/92/1159210892.db2.gz SBBBUQPGUQRIAW-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000247444515 334281492 /nfs/dbraw/zinc/28/14/92/334281492.db2.gz SGNRBOMHJDHAGO-GOEBONIOSA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267439581 1159377482 /nfs/dbraw/zinc/37/74/82/1159377482.db2.gz NQGMKLUIZIOJIZ-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271206504 1160312695 /nfs/dbraw/zinc/31/26/95/1160312695.db2.gz GKJBDIHDAIJSSV-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@H]21 ZINC001482664187 1160585782 /nfs/dbraw/zinc/58/57/82/1160585782.db2.gz SRKBTJJFLGRCDL-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001483272104 1160889088 /nfs/dbraw/zinc/88/90/88/1160889088.db2.gz KDPOERVNBZKWKN-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001483492999 1160930378 /nfs/dbraw/zinc/93/03/78/1160930378.db2.gz PUUFPABUQCPXEA-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691665516 1161471759 /nfs/dbraw/zinc/47/17/59/1161471759.db2.gz GCCFPNSBVAUYIS-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001691665516 1161471763 /nfs/dbraw/zinc/47/17/63/1161471763.db2.gz GCCFPNSBVAUYIS-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713518012 1178620935 /nfs/dbraw/zinc/62/09/35/1178620935.db2.gz TYPMSFSEJWIEKP-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713518012 1178620940 /nfs/dbraw/zinc/62/09/40/1178620940.db2.gz TYPMSFSEJWIEKP-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691675818 1161557588 /nfs/dbraw/zinc/55/75/88/1161557588.db2.gz LCALZCQIVIFPOY-UONOGXRCSA-N 2 1 276.384 1.252 10 30 CDEEMP CC[C@@H](C)[NH+]1CCN(CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000055070177 522118617 /nfs/dbraw/zinc/11/86/17/522118617.db2.gz MPFARUHEPSRKHF-HUUCEWRRSA-N 2 1 266.433 1.814 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618163 613328335 /nfs/dbraw/zinc/32/83/35/613328335.db2.gz PHUBXVZYZROFDG-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618163 613328337 /nfs/dbraw/zinc/32/83/37/613328337.db2.gz PHUBXVZYZROFDG-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618163 613328338 /nfs/dbraw/zinc/32/83/38/613328338.db2.gz PHUBXVZYZROFDG-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941031512 613742921 /nfs/dbraw/zinc/74/29/21/613742921.db2.gz AFBZPIWXCVVVMP-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941031512 613742923 /nfs/dbraw/zinc/74/29/23/613742923.db2.gz AFBZPIWXCVVVMP-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941031512 613742924 /nfs/dbraw/zinc/74/29/24/613742924.db2.gz AFBZPIWXCVVVMP-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000900198810 622813759 /nfs/dbraw/zinc/81/37/59/622813759.db2.gz JUDHARIZVDOJFY-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903091478 625823182 /nfs/dbraw/zinc/82/31/82/625823182.db2.gz UTFSLRSGAHUHOE-HOTGVXAUSA-N 2 1 280.412 1.565 10 30 CDEEMP N#CC1CCC(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)CC1 ZINC000903422908 625994053 /nfs/dbraw/zinc/99/40/53/625994053.db2.gz MPTGGTZXIKRLPS-YMAMQOFZSA-N 2 1 292.427 1.103 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000905099242 626619385 /nfs/dbraw/zinc/61/93/85/626619385.db2.gz ZRRBOKOMAIKACX-HNNXBMFYSA-N 2 1 282.428 1.283 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905094133 626636087 /nfs/dbraw/zinc/63/60/87/626636087.db2.gz DAANLMUHIUEPPU-MRXNPFEDSA-N 2 1 296.455 1.673 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCc1c[nH+]c2n1CCCC2 ZINC000908085521 628004952 /nfs/dbraw/zinc/00/49/52/628004952.db2.gz UBVWSDVYRYKGLG-UHFFFAOYSA-N 2 1 276.384 1.344 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000908357759 628175420 /nfs/dbraw/zinc/17/54/20/628175420.db2.gz JBHGSCHZQUINHL-AWEZNQCLSA-N 2 1 293.455 1.827 10 30 CDEEMP C[C@H](CNC(NC[C@@H]1CCCO1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912508986 630048906 /nfs/dbraw/zinc/04/89/06/630048906.db2.gz UHYQSXYBWGEKIT-OLZOCXBDSA-N 2 1 284.448 1.449 10 30 CDEEMP C=C[C@H](C)ONC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000854220501 678156274 /nfs/dbraw/zinc/15/62/74/678156274.db2.gz UWYRCNBVSKJCJW-STQMWFEESA-N 2 1 286.420 1.064 10 30 CDEEMP C=C[C@H](C)ONC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000854220501 678156275 /nfs/dbraw/zinc/15/62/75/678156275.db2.gz UWYRCNBVSKJCJW-STQMWFEESA-N 2 1 286.420 1.064 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001690977946 1158511568 /nfs/dbraw/zinc/51/15/68/1158511568.db2.gz MQQBQFFJEWWRFT-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001690977946 1158511572 /nfs/dbraw/zinc/51/15/72/1158511572.db2.gz MQQBQFFJEWWRFT-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001690977946 1158511575 /nfs/dbraw/zinc/51/15/75/1158511575.db2.gz MQQBQFFJEWWRFT-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852855810 677861496 /nfs/dbraw/zinc/86/14/96/677861496.db2.gz ORIMSGZDYSMDKE-HNNXBMFYSA-N 2 1 291.439 1.370 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCn1cc[nH+]c1C ZINC000876771815 678507345 /nfs/dbraw/zinc/50/73/45/678507345.db2.gz ZTROYIZBOAUJKH-GFCCVEGCSA-N 2 1 284.791 1.558 10 30 CDEEMP C#C[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CCOCC1 ZINC000827559361 678585354 /nfs/dbraw/zinc/58/53/54/678585354.db2.gz DVXYPTKDPQYADW-HNNXBMFYSA-N 2 1 250.386 1.489 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)Cn1cc[nH+]c1C ZINC000876729754 678830564 /nfs/dbraw/zinc/83/05/64/678830564.db2.gz WJZHJFUILBSXOY-BXKDBHETSA-N 2 1 284.791 1.414 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001691990122 1158676364 /nfs/dbraw/zinc/67/63/64/1158676364.db2.gz VMPABQIBRVYLFU-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001691990122 1158676369 /nfs/dbraw/zinc/67/63/69/1158676369.db2.gz VMPABQIBRVYLFU-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001691990122 1158676372 /nfs/dbraw/zinc/67/63/72/1158676372.db2.gz VMPABQIBRVYLFU-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001691219506 1158962959 /nfs/dbraw/zinc/96/29/59/1158962959.db2.gz HPRKZHVEYQLSIX-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691409398 1159057091 /nfs/dbraw/zinc/05/70/91/1159057091.db2.gz DGPQBWNXJSCQKO-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691409398 1159057097 /nfs/dbraw/zinc/05/70/97/1159057097.db2.gz DGPQBWNXJSCQKO-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691409398 1159057102 /nfs/dbraw/zinc/05/71/02/1159057102.db2.gz DGPQBWNXJSCQKO-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001691173302 1158944063 /nfs/dbraw/zinc/94/40/63/1158944063.db2.gz DWXPANHWVQAGCO-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001691173302 1158944065 /nfs/dbraw/zinc/94/40/65/1158944065.db2.gz DWXPANHWVQAGCO-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001691173302 1158944067 /nfs/dbraw/zinc/94/40/67/1158944067.db2.gz DWXPANHWVQAGCO-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)Cc2ccccc2)C1 ZINC001691173302 1158944069 /nfs/dbraw/zinc/94/40/69/1158944069.db2.gz DWXPANHWVQAGCO-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001700325738 1158965031 /nfs/dbraw/zinc/96/50/31/1158965031.db2.gz VDFRZRSWQMBZGU-HNNXBMFYSA-N 2 1 293.455 1.759 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001691789902 1159419794 /nfs/dbraw/zinc/41/97/94/1159419794.db2.gz IELYVBHDMZRLQA-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001566027164 1168216470 /nfs/dbraw/zinc/21/64/70/1168216470.db2.gz XIWUDMOQDFDPMB-ARFHVFGLSA-N 2 1 293.455 1.565 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001569854708 1170019448 /nfs/dbraw/zinc/01/94/48/1170019448.db2.gz FCKXJIAMKPYMMY-CABCVRRESA-N 2 1 279.428 1.034 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001571494123 1170453564 /nfs/dbraw/zinc/45/35/64/1170453564.db2.gz ZVBAWAYBQPYIJL-OLZOCXBDSA-N 2 1 253.390 1.092 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001662899203 1172612252 /nfs/dbraw/zinc/61/22/52/1172612252.db2.gz SGBHJXCSFVASHQ-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001662950019 1172619606 /nfs/dbraw/zinc/61/96/06/1172619606.db2.gz YAQKQTIVPAGXRH-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001663461940 1172699064 /nfs/dbraw/zinc/69/90/64/1172699064.db2.gz TZMLDDOFSURCIF-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001673129091 1173827382 /nfs/dbraw/zinc/82/73/82/1173827382.db2.gz FOEWNSDCYJAIPS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001692189116 1175696284 /nfs/dbraw/zinc/69/62/84/1175696284.db2.gz QIEKDRIPIBBGQE-ZNMIVQPWSA-N 2 1 279.428 1.175 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CC ZINC001692218060 1175704518 /nfs/dbraw/zinc/70/45/18/1175704518.db2.gz VJQYEHFZCAUYJO-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001699403509 1176369793 /nfs/dbraw/zinc/36/97/93/1176369793.db2.gz AILUYPIJNRBMJF-KBPBESRZSA-N 2 1 290.411 1.514 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001699466693 1176428712 /nfs/dbraw/zinc/42/87/12/1176428712.db2.gz DSWLYSLKPVMKMM-CQSZACIVSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001699466693 1176428719 /nfs/dbraw/zinc/42/87/19/1176428719.db2.gz DSWLYSLKPVMKMM-CQSZACIVSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001699664218 1176558568 /nfs/dbraw/zinc/55/85/68/1176558568.db2.gz ASESCKGZRWNJBR-CQSZACIVSA-N 2 1 277.412 1.121 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001700184919 1176789205 /nfs/dbraw/zinc/78/92/05/1176789205.db2.gz QDMXGUGHLHLSRL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001700184919 1176789211 /nfs/dbraw/zinc/78/92/11/1176789211.db2.gz QDMXGUGHLHLSRL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001700184919 1176789214 /nfs/dbraw/zinc/78/92/14/1176789214.db2.gz QDMXGUGHLHLSRL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001700486178 1176976150 /nfs/dbraw/zinc/97/61/50/1176976150.db2.gz CQDREKVSJUTQPL-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700486178 1176976154 /nfs/dbraw/zinc/97/61/54/1176976154.db2.gz CQDREKVSJUTQPL-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001700486178 1176976157 /nfs/dbraw/zinc/97/61/57/1176976157.db2.gz CQDREKVSJUTQPL-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001700976282 1177220768 /nfs/dbraw/zinc/22/07/68/1177220768.db2.gz NIELHIRYOJCARJ-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001700976282 1177220772 /nfs/dbraw/zinc/22/07/72/1177220772.db2.gz NIELHIRYOJCARJ-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001700976282 1177220778 /nfs/dbraw/zinc/22/07/78/1177220778.db2.gz NIELHIRYOJCARJ-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001707078326 1177940687 /nfs/dbraw/zinc/94/06/87/1177940687.db2.gz WVNYFGSLEKZNQK-GASCZTMLSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707409018 1178027035 /nfs/dbraw/zinc/02/70/35/1178027035.db2.gz GXUNUYYVWIGQRF-UHFFFAOYSA-N 2 1 287.407 1.433 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001712950527 1178261669 /nfs/dbraw/zinc/26/16/69/1178261669.db2.gz MACVLLMXZRSYQJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001712950527 1178261671 /nfs/dbraw/zinc/26/16/71/1178261671.db2.gz MACVLLMXZRSYQJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001712950527 1178261677 /nfs/dbraw/zinc/26/16/77/1178261677.db2.gz MACVLLMXZRSYQJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713134730 1178388347 /nfs/dbraw/zinc/38/83/47/1178388347.db2.gz SWSMLCOCSGRRFN-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=C(C)CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001713144992 1178391838 /nfs/dbraw/zinc/39/18/38/1178391838.db2.gz JNRSANWYPZZLDW-IYBDPMFKSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001713144992 1178391848 /nfs/dbraw/zinc/39/18/48/1178391848.db2.gz JNRSANWYPZZLDW-IYBDPMFKSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001713144992 1178391855 /nfs/dbraw/zinc/39/18/55/1178391855.db2.gz JNRSANWYPZZLDW-IYBDPMFKSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713220919 1178439503 /nfs/dbraw/zinc/43/95/03/1178439503.db2.gz VZELUMJLQWIHGO-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220919 1178439512 /nfs/dbraw/zinc/43/95/12/1178439512.db2.gz VZELUMJLQWIHGO-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713220919 1178439516 /nfs/dbraw/zinc/43/95/16/1178439516.db2.gz VZELUMJLQWIHGO-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713453902 1178572512 /nfs/dbraw/zinc/57/25/12/1178572512.db2.gz UCLKUGBXRVIXFL-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713453902 1178572516 /nfs/dbraw/zinc/57/25/16/1178572516.db2.gz UCLKUGBXRVIXFL-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713453902 1178572519 /nfs/dbraw/zinc/57/25/19/1178572519.db2.gz UCLKUGBXRVIXFL-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713518012 1178620930 /nfs/dbraw/zinc/62/09/30/1178620930.db2.gz TYPMSFSEJWIEKP-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001713564798 1178651034 /nfs/dbraw/zinc/65/10/34/1178651034.db2.gz LJEPLEQXZQHLAP-GOEBONIOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001713924606 1178851121 /nfs/dbraw/zinc/85/11/21/1178851121.db2.gz KWDGAZKDKCDUGL-ZFWWWQNUSA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001714050067 1178947276 /nfs/dbraw/zinc/94/72/76/1178947276.db2.gz MISBRXBFFLVPDC-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001714050067 1178947280 /nfs/dbraw/zinc/94/72/80/1178947280.db2.gz MISBRXBFFLVPDC-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001714050067 1178947273 /nfs/dbraw/zinc/94/72/73/1178947273.db2.gz MISBRXBFFLVPDC-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001714107961 1178976420 /nfs/dbraw/zinc/97/64/20/1178976420.db2.gz WJEOVOZUYGHLJC-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155948 1178994902 /nfs/dbraw/zinc/99/49/02/1178994902.db2.gz LLVKPSCCZIRDNM-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155948 1178994906 /nfs/dbraw/zinc/99/49/06/1178994906.db2.gz LLVKPSCCZIRDNM-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155948 1178994911 /nfs/dbraw/zinc/99/49/11/1178994911.db2.gz LLVKPSCCZIRDNM-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001714197566 1179010574 /nfs/dbraw/zinc/01/05/74/1179010574.db2.gz KAOMLHVWAGGCNI-UHFFFAOYSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001714832843 1179415653 /nfs/dbraw/zinc/41/56/53/1179415653.db2.gz NCGJZPJQEZSMCZ-IYBDPMFKSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001714832843 1179415655 /nfs/dbraw/zinc/41/56/55/1179415655.db2.gz NCGJZPJQEZSMCZ-IYBDPMFKSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001714832843 1179415661 /nfs/dbraw/zinc/41/56/61/1179415661.db2.gz NCGJZPJQEZSMCZ-IYBDPMFKSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001714884172 1179437507 /nfs/dbraw/zinc/43/75/07/1179437507.db2.gz QFFMAXOHXSCEQI-RDJZCZTQSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001714884172 1179437509 /nfs/dbraw/zinc/43/75/09/1179437509.db2.gz QFFMAXOHXSCEQI-RDJZCZTQSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001714884172 1179437511 /nfs/dbraw/zinc/43/75/11/1179437511.db2.gz QFFMAXOHXSCEQI-RDJZCZTQSA-N 2 1 291.439 1.487 10 30 CDEEMP C=C(C)CN1CC(NC(=O)CC[N@H+](C)CCC)C1 ZINC001714955612 1179475862 /nfs/dbraw/zinc/47/58/62/1179475862.db2.gz JRLGSVSQQUOHDC-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001715414105 1179661776 /nfs/dbraw/zinc/66/17/76/1179661776.db2.gz CKIFXEWLRHPUAV-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001715683974 1179763753 /nfs/dbraw/zinc/76/37/53/1179763753.db2.gz FVHZRUUCKCLEBR-AWEZNQCLSA-N 2 1 290.411 1.514 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001715828705 1179854654 /nfs/dbraw/zinc/85/46/54/1179854654.db2.gz PZZZASLMGUCRMW-SSVHIUIRSA-N 2 1 295.814 1.099 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C\Cl ZINC001715828705 1179854665 /nfs/dbraw/zinc/85/46/65/1179854665.db2.gz PZZZASLMGUCRMW-SSVHIUIRSA-N 2 1 295.814 1.099 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001716075662 1180033165 /nfs/dbraw/zinc/03/31/65/1180033165.db2.gz PHPWOEYBOWNGHO-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001716251190 1180120459 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C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001267046962 896629101 /nfs/dbraw/zinc/62/91/01/896629101.db2.gz GLCZMVDTGQDJOO-JKSUJKDBSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267155308 896943972 /nfs/dbraw/zinc/94/39/72/896943972.db2.gz QHDPLJOFKWJZMT-GOEBONIOSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267476076 898105373 /nfs/dbraw/zinc/10/53/73/898105373.db2.gz UFVIYOHBOXTEEE-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267476076 898105380 /nfs/dbraw/zinc/10/53/80/898105380.db2.gz UFVIYOHBOXTEEE-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001267476076 898105383 /nfs/dbraw/zinc/10/53/83/898105383.db2.gz UFVIYOHBOXTEEE-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001481019414 898510789 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CDEEMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646767 899152371 /nfs/dbraw/zinc/15/23/71/899152371.db2.gz RSPXTRVDXOYJHM-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646767 899152379 /nfs/dbraw/zinc/15/23/79/899152379.db2.gz RSPXTRVDXOYJHM-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567684306 1168916595 /nfs/dbraw/zinc/91/65/95/1168916595.db2.gz DAIVYINDIVCMJZ-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001481435589 900658005 /nfs/dbraw/zinc/65/80/05/900658005.db2.gz PTVUBNGRLKWSEM-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001481435589 900658015 /nfs/dbraw/zinc/65/80/15/900658015.db2.gz PTVUBNGRLKWSEM-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001481435589 900658025 /nfs/dbraw/zinc/65/80/25/900658025.db2.gz PTVUBNGRLKWSEM-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001268106413 901304711 /nfs/dbraw/zinc/30/47/11/901304711.db2.gz UEWWKYFSELLORE-JKSUJKDBSA-N 2 1 293.455 1.613 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001481879206 902264397 /nfs/dbraw/zinc/26/43/97/902264397.db2.gz NSYPVSBDLPAGSN-CQSZACIVSA-N 2 1 278.400 1.642 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001268676527 902939267 /nfs/dbraw/zinc/93/92/67/902939267.db2.gz SWVJCXHUFVARDP-OAHLLOKOSA-N 2 1 289.423 1.789 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268676527 902939278 /nfs/dbraw/zinc/93/92/78/902939278.db2.gz SWVJCXHUFVARDP-OAHLLOKOSA-N 2 1 289.423 1.789 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(=C)C ZINC001268734056 903057272 /nfs/dbraw/zinc/05/72/72/903057272.db2.gz QUDYQAIMXSTKTE-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(=C)C ZINC001268734056 903057280 /nfs/dbraw/zinc/05/72/80/903057280.db2.gz QUDYQAIMXSTKTE-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=C)C ZINC001268734056 903057289 /nfs/dbraw/zinc/05/72/89/903057289.db2.gz QUDYQAIMXSTKTE-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(=C)C ZINC001268734056 903057299 /nfs/dbraw/zinc/05/72/99/903057299.db2.gz QUDYQAIMXSTKTE-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001268993339 903309508 /nfs/dbraw/zinc/30/95/08/903309508.db2.gz RIAWGUJVOVXKDU-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+]1CCCC1 ZINC001268993339 903309517 /nfs/dbraw/zinc/30/95/17/903309517.db2.gz RIAWGUJVOVXKDU-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001482222105 903839693 /nfs/dbraw/zinc/83/96/93/903839693.db2.gz DEQBBSUDWHIZNV-OAHLLOKOSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001269736581 904075256 /nfs/dbraw/zinc/07/52/56/904075256.db2.gz DXIIFYDARSPHHL-AWEZNQCLSA-N 2 1 290.411 1.747 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001269806152 904125224 /nfs/dbraw/zinc/12/52/24/904125224.db2.gz XNNZVOCWLQXKKN-UHFFFAOYSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001269806152 904125229 /nfs/dbraw/zinc/12/52/29/904125229.db2.gz XNNZVOCWLQXKKN-UHFFFAOYSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269812440 904129154 /nfs/dbraw/zinc/12/91/54/904129154.db2.gz GJNRBQVXNSRQRD-GOEBONIOSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001270187681 904427817 /nfs/dbraw/zinc/42/78/17/904427817.db2.gz JZHNLIUUJBJJDM-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001482298426 904751961 /nfs/dbraw/zinc/75/19/61/904751961.db2.gz JQNLSEXXQVYYRF-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001567938930 1169082703 /nfs/dbraw/zinc/08/27/03/1169082703.db2.gz LYAZPONOWQVOFR-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567938930 1169082715 /nfs/dbraw/zinc/08/27/15/1169082715.db2.gz LYAZPONOWQVOFR-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001567938930 1169082725 /nfs/dbraw/zinc/08/27/25/1169082725.db2.gz LYAZPONOWQVOFR-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@H]21 ZINC001272227910 909313001 /nfs/dbraw/zinc/31/30/01/909313001.db2.gz XBEDDRCSHFIVTI-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001272227910 909313011 /nfs/dbraw/zinc/31/30/11/909313011.db2.gz XBEDDRCSHFIVTI-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)CC[C@H]21 ZINC001272227910 909313028 /nfs/dbraw/zinc/31/30/28/909313028.db2.gz XBEDDRCSHFIVTI-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001483383735 911029996 /nfs/dbraw/zinc/02/99/96/911029996.db2.gz JGUBBPQXQTVSQX-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484162246 915484830 /nfs/dbraw/zinc/48/48/30/915484830.db2.gz YSXZFQQDKVIBEZ-BFYDXBDKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484162246 915484842 /nfs/dbraw/zinc/48/48/42/915484842.db2.gz YSXZFQQDKVIBEZ-BFYDXBDKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484162246 915484848 /nfs/dbraw/zinc/48/48/48/915484848.db2.gz YSXZFQQDKVIBEZ-BFYDXBDKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484176616 915491848 /nfs/dbraw/zinc/49/18/48/915491848.db2.gz VVXGBBSJYXLQBS-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484176616 915491855 /nfs/dbraw/zinc/49/18/55/915491855.db2.gz VVXGBBSJYXLQBS-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484176616 915491864 /nfs/dbraw/zinc/49/18/64/915491864.db2.gz VVXGBBSJYXLQBS-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001485260796 916704612 /nfs/dbraw/zinc/70/46/12/916704612.db2.gz QVDBDCAIMVAIFB-UHFFFAOYSA-N 2 1 295.471 1.672 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001485921740 920580388 /nfs/dbraw/zinc/58/03/88/920580388.db2.gz CUDOJEWFYFLZAP-ZDUSSCGKSA-N 2 1 267.417 1.034 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001491232225 936881770 /nfs/dbraw/zinc/88/17/70/936881770.db2.gz WQILHRHIMIAETA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001491232225 936881772 /nfs/dbraw/zinc/88/17/72/936881772.db2.gz WQILHRHIMIAETA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001491232225 936881774 /nfs/dbraw/zinc/88/17/74/936881774.db2.gz WQILHRHIMIAETA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001491334571 936895284 /nfs/dbraw/zinc/89/52/84/936895284.db2.gz QKXALZRLDLTIMG-LEOABGAYSA-N 2 1 291.439 1.339 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491334571 936895287 /nfs/dbraw/zinc/89/52/87/936895287.db2.gz QKXALZRLDLTIMG-LEOABGAYSA-N 2 1 291.439 1.339 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491334571 936895290 /nfs/dbraw/zinc/89/52/90/936895290.db2.gz QKXALZRLDLTIMG-LEOABGAYSA-N 2 1 291.439 1.339 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903177381 936108040 /nfs/dbraw/zinc/10/80/40/936108040.db2.gz MBLUNUUNRBMMCB-CQSZACIVSA-N 2 1 250.386 1.633 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCOC12CCCC2 ZINC000903177381 936108045 /nfs/dbraw/zinc/10/80/45/936108045.db2.gz MBLUNUUNRBMMCB-CQSZACIVSA-N 2 1 250.386 1.633 10 30 CDEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001282739573 942747346 /nfs/dbraw/zinc/74/73/46/942747346.db2.gz VFVBMOQPYDCSOS-KGLIPLIRSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[NH+]1CC([C@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001282739731 942748148 /nfs/dbraw/zinc/74/81/48/942748148.db2.gz VFVBMOQPYDCSOS-UONOGXRCSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284277566 943137565 /nfs/dbraw/zinc/13/75/65/943137565.db2.gz UVDPLCHXGLFGMN-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(=C)C ZINC001277846606 943800618 /nfs/dbraw/zinc/80/06/18/943800618.db2.gz UFMCIHHGCDVNTG-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC(=C)C ZINC001277846606 943800621 /nfs/dbraw/zinc/80/06/21/943800621.db2.gz UFMCIHHGCDVNTG-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001263880755 944020081 /nfs/dbraw/zinc/02/00/81/944020081.db2.gz YSPIXIRDSUFOPE-LDKKBFSKSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001264380344 944119485 /nfs/dbraw/zinc/11/94/85/944119485.db2.gz HTOOYHCKBKWSCY-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001264731163 944170508 /nfs/dbraw/zinc/17/05/08/944170508.db2.gz FCZUXKDIGFYAOV-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001264731163 944170510 /nfs/dbraw/zinc/17/05/10/944170510.db2.gz FCZUXKDIGFYAOV-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001265217370 944282764 /nfs/dbraw/zinc/28/27/64/944282764.db2.gz VHDKTOPDPUYMRP-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265217370 944282775 /nfs/dbraw/zinc/28/27/75/944282775.db2.gz VHDKTOPDPUYMRP-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001265217370 944282780 /nfs/dbraw/zinc/28/27/80/944282780.db2.gz VHDKTOPDPUYMRP-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001266011582 944628342 /nfs/dbraw/zinc/62/83/42/944628342.db2.gz YEPKXOYMZLZKSR-HIFRSBDPSA-N 2 1 288.395 1.184 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001279011885 948584980 /nfs/dbraw/zinc/58/49/80/948584980.db2.gz IEEGHUVBRQTXMX-GJZGRUSLSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001279045287 948637338 /nfs/dbraw/zinc/63/73/38/948637338.db2.gz KEJGFZMXBRXKIA-DZGCQCFKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001569022467 1169600620 /nfs/dbraw/zinc/60/06/20/1169600620.db2.gz MHLUYCXTBVVUNE-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187793 971617619 /nfs/dbraw/zinc/61/76/19/971617619.db2.gz DRMYNYZSDSSRNN-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480254455 971649596 /nfs/dbraw/zinc/64/95/96/971649596.db2.gz AYMINJZZJYSFRZ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480254455 971649598 /nfs/dbraw/zinc/64/95/98/971649598.db2.gz AYMINJZZJYSFRZ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001480254455 971649601 /nfs/dbraw/zinc/64/96/01/971649601.db2.gz AYMINJZZJYSFRZ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001493108760 971952360 /nfs/dbraw/zinc/95/23/60/971952360.db2.gz REEKNFMTOLJCCZ-HUUCEWRRSA-N 2 1 297.418 1.270 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001493256779 971999308 /nfs/dbraw/zinc/99/93/08/971999308.db2.gz NYNPXANOPAUWPH-LSDHHAIUSA-N 2 1 281.444 1.587 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001326555230 954431288 /nfs/dbraw/zinc/43/12/88/954431288.db2.gz NSMHHZPZGJAHJP-JYJNAYRXSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001327455539 954885749 /nfs/dbraw/zinc/88/57/49/954885749.db2.gz NJRXELSHDFSCCG-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001491767476 955412820 /nfs/dbraw/zinc/41/28/20/955412820.db2.gz HWIFMIQAMPTCNV-RDJZCZTQSA-N 2 1 291.439 1.629 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001329439733 955916859 /nfs/dbraw/zinc/91/68/59/955916859.db2.gz BURITCJKTDOZTG-ZFWWWQNUSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001493959297 972145502 /nfs/dbraw/zinc/14/55/02/972145502.db2.gz FJWFJDJGOALORB-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001330021637 956236212 /nfs/dbraw/zinc/23/62/12/956236212.db2.gz LGIKYNGHQSTJRG-ZBFHGGJFSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317493082 956699656 /nfs/dbraw/zinc/69/96/56/956699656.db2.gz SBLJEURHWYKGRD-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001317493082 956699661 /nfs/dbraw/zinc/69/96/61/956699661.db2.gz SBLJEURHWYKGRD-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001317493082 956699670 /nfs/dbraw/zinc/69/96/70/956699670.db2.gz SBLJEURHWYKGRD-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494454001 972235262 /nfs/dbraw/zinc/23/52/62/972235262.db2.gz XIRAXMBIMBMBEP-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001316804796 957028764 /nfs/dbraw/zinc/02/87/64/957028764.db2.gz WLEZFSFPHLBEEV-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001316804796 957028773 /nfs/dbraw/zinc/02/87/73/957028773.db2.gz WLEZFSFPHLBEEV-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001316804796 957028784 /nfs/dbraw/zinc/02/87/84/957028784.db2.gz WLEZFSFPHLBEEV-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001316956181 957153251 /nfs/dbraw/zinc/15/32/51/957153251.db2.gz ZSNLPZZNJXUNCH-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001317052501 957229138 /nfs/dbraw/zinc/22/91/38/957229138.db2.gz XVIZKPHNYFZSSB-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001317052501 957229147 /nfs/dbraw/zinc/22/91/47/957229147.db2.gz XVIZKPHNYFZSSB-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001317052501 957229152 /nfs/dbraw/zinc/22/91/52/957229152.db2.gz XVIZKPHNYFZSSB-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001317052501 957229159 /nfs/dbraw/zinc/22/91/59/957229159.db2.gz XVIZKPHNYFZSSB-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317067978 957240615 /nfs/dbraw/zinc/24/06/15/957240615.db2.gz LIVNPLKFKOFDMQ-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001331929402 957342650 /nfs/dbraw/zinc/34/26/50/957342650.db2.gz QYEFVGMIQCKVRI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001317218740 957351355 /nfs/dbraw/zinc/35/13/55/957351355.db2.gz VFKWVOLFWXUWMC-PRLABOORSA-N 2 1 291.439 1.367 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001317295182 957409607 /nfs/dbraw/zinc/40/96/07/957409607.db2.gz VEQNIPQNXJSDPY-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317380719 957442795 /nfs/dbraw/zinc/44/27/95/957442795.db2.gz GGAKODLWLJVAMK-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317380719 957442800 /nfs/dbraw/zinc/44/28/00/957442800.db2.gz GGAKODLWLJVAMK-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317380719 957442804 /nfs/dbraw/zinc/44/28/04/957442804.db2.gz GGAKODLWLJVAMK-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282329 957503924 /nfs/dbraw/zinc/50/39/24/957503924.db2.gz PQAZHIPIFZALJK-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317534303 957534155 /nfs/dbraw/zinc/53/41/55/957534155.db2.gz AOJKROVAOVMTDG-OAHLLOKOSA-N 2 1 279.428 1.487 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCC1 ZINC001494686660 972289376 /nfs/dbraw/zinc/28/93/76/972289376.db2.gz XPJPPTDTRHHGPZ-HOTGVXAUSA-N 2 1 289.423 1.171 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001318492021 958131035 /nfs/dbraw/zinc/13/10/35/958131035.db2.gz NFZPVCAWDKMXLK-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001318492021 958131045 /nfs/dbraw/zinc/13/10/45/958131045.db2.gz NFZPVCAWDKMXLK-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001318492021 958131058 /nfs/dbraw/zinc/13/10/58/958131058.db2.gz NFZPVCAWDKMXLK-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001367676876 958205011 /nfs/dbraw/zinc/20/50/11/958205011.db2.gz QAYJUKVGEZEAJV-CHWSQXEVSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001494924485 972337767 /nfs/dbraw/zinc/33/77/67/972337767.db2.gz KVEBKHKINLIQAY-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C#CCC[NH+]1CC=C(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001333433036 958332715 /nfs/dbraw/zinc/33/27/15/958332715.db2.gz HYJFVZPAHZCOEV-UHFFFAOYSA-N 2 1 277.412 1.100 10 30 CDEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001333433036 958332727 /nfs/dbraw/zinc/33/27/27/958332727.db2.gz HYJFVZPAHZCOEV-UHFFFAOYSA-N 2 1 277.412 1.100 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[NH+](C)CCC)CC1 ZINC001333433036 958332739 /nfs/dbraw/zinc/33/27/39/958332739.db2.gz HYJFVZPAHZCOEV-UHFFFAOYSA-N 2 1 277.412 1.100 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001320176009 958989509 /nfs/dbraw/zinc/98/95/09/958989509.db2.gz XECIAZZZTLVXRW-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001368888014 959228445 /nfs/dbraw/zinc/22/84/45/959228445.db2.gz AEFUQSSTTBGEFI-VXGBXAGGSA-N 2 1 275.824 1.562 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001322852037 960343733 /nfs/dbraw/zinc/34/37/33/960343733.db2.gz IFXWTRMODSKRHK-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001323292552 960619840 /nfs/dbraw/zinc/61/98/40/960619840.db2.gz FVFIAYRYBBAWNQ-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001495505439 972523597 /nfs/dbraw/zinc/52/35/97/972523597.db2.gz PIMVTGPXMHKEGK-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323858418 961008229 /nfs/dbraw/zinc/00/82/29/961008229.db2.gz CJGFUKNPFRRJQK-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001419227571 961523109 /nfs/dbraw/zinc/52/31/09/961523109.db2.gz ZDROHAPXELPICJ-LBPRGKRZSA-N 2 1 284.791 1.428 10 30 CDEEMP CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC001349821920 966485368 /nfs/dbraw/zinc/48/53/68/966485368.db2.gz BLRHIFVXQWIPIM-KGLIPLIRSA-N 2 1 280.416 1.246 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001495773817 972629509 /nfs/dbraw/zinc/62/95/09/972629509.db2.gz KVTQTZAUURQUPL-ZDUSSCGKSA-N 2 1 299.378 1.409 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496064262 972782327 /nfs/dbraw/zinc/78/23/27/972782327.db2.gz PRVVNTGMTNLFLC-QLFBSQMISA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001496371182 972900108 /nfs/dbraw/zinc/90/01/08/972900108.db2.gz YVDXHQNFUFBTNL-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001496796703 973103575 /nfs/dbraw/zinc/10/35/75/973103575.db2.gz KLISLQJYFFULAD-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001496796703 973103577 /nfs/dbraw/zinc/10/35/77/973103577.db2.gz KLISLQJYFFULAD-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001496796703 973103579 /nfs/dbraw/zinc/10/35/79/973103579.db2.gz KLISLQJYFFULAD-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001569694961 1169967916 /nfs/dbraw/zinc/96/79/16/1169967916.db2.gz CFHASVCTOUVMSJ-INIZCTEOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001377656398 975101146 /nfs/dbraw/zinc/10/11/46/975101146.db2.gz AAHXPWAYBVKERV-ZDUSSCGKSA-N 2 1 287.835 1.613 10 30 CDEEMP C=C(Cl)C[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001377656398 975101148 /nfs/dbraw/zinc/10/11/48/975101148.db2.gz AAHXPWAYBVKERV-ZDUSSCGKSA-N 2 1 287.835 1.613 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001507292905 975401044 /nfs/dbraw/zinc/40/10/44/975401044.db2.gz MSXWWMFVZQIABC-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001508059212 975594631 /nfs/dbraw/zinc/59/46/31/975594631.db2.gz MKAXSMGHVMAOQZ-CQSZACIVSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001508122401 975618149 /nfs/dbraw/zinc/61/81/49/975618149.db2.gz ZKBNXSGXADCSGS-UHFFFAOYSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001398614009 976074725 /nfs/dbraw/zinc/07/47/25/976074725.db2.gz BAARNAWTQANACC-TXEJJXNPSA-N 2 1 285.819 1.460 10 30 CDEEMP C=C(Cl)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001393551854 977832758 /nfs/dbraw/zinc/83/27/58/977832758.db2.gz NZTSVKAMUUGDIS-UHFFFAOYSA-N 2 1 296.802 1.573 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001674140664 1173917444 /nfs/dbraw/zinc/91/74/44/1173917444.db2.gz HWBLMUIJBPXJQN-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001675672912 1174136214 /nfs/dbraw/zinc/13/62/14/1174136214.db2.gz LCNVTUNUUCUZHN-UHFFFAOYSA-N 2 1 265.401 1.049 10 30 CDEEMP C#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001675909445 1174164765 /nfs/dbraw/zinc/16/47/65/1174164765.db2.gz IWWIIYPDXBQEID-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001676872703 1174286160 /nfs/dbraw/zinc/28/61/60/1174286160.db2.gz KZALGXXNQLYUOG-LSDHHAIUSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CCC)CC1 ZINC001677367620 1174354403 /nfs/dbraw/zinc/35/44/03/1174354403.db2.gz IOWHSGHKMCGPBJ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001570398255 1170151394 /nfs/dbraw/zinc/15/13/94/1170151394.db2.gz ZAHCKIRPZKXAKS-LSDHHAIUSA-N 2 1 295.471 1.975 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001570702720 1170241717 /nfs/dbraw/zinc/24/17/17/1170241717.db2.gz XLKYZWRACMHMDG-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001570702720 1170241721 /nfs/dbraw/zinc/24/17/21/1170241721.db2.gz XLKYZWRACMHMDG-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001570702720 1170241728 /nfs/dbraw/zinc/24/17/28/1170241728.db2.gz XLKYZWRACMHMDG-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439783 342906638 /nfs/dbraw/zinc/90/66/38/342906638.db2.gz ZSVCYMRGBXTVOQ-CABCVRRESA-N 2 1 294.443 1.492 10 30 CDEEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@](C)(C#N)C2)CC1 ZINC000595842570 343172908 /nfs/dbraw/zinc/17/29/08/343172908.db2.gz FQSJQVKYRXFUCY-INIZCTEOSA-N 2 1 278.444 1.638 10 30 CDEEMP CC(C)(C#N)CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000595868552 343176377 /nfs/dbraw/zinc/17/63/77/343176377.db2.gz PUMRJOVWVOFONK-OAHLLOKOSA-N 2 1 279.428 1.847 10 30 CDEEMP C[C@H](CC#N)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000597227086 343487626 /nfs/dbraw/zinc/48/76/26/343487626.db2.gz PSSHLXIFVVJNIE-CYBMUJFWSA-N 2 1 280.416 1.021 10 30 CDEEMP C[C@H](CC#N)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000597227086 343487630 /nfs/dbraw/zinc/48/76/30/343487630.db2.gz PSSHLXIFVVJNIE-CYBMUJFWSA-N 2 1 280.416 1.021 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001660851781 1172291188 /nfs/dbraw/zinc/29/11/88/1172291188.db2.gz ZGPHQNMZLSLRFT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001660851781 1172291194 /nfs/dbraw/zinc/29/11/94/1172291194.db2.gz ZGPHQNMZLSLRFT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001660851781 1172291199 /nfs/dbraw/zinc/29/11/99/1172291199.db2.gz ZGPHQNMZLSLRFT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001661231465 1172355135 /nfs/dbraw/zinc/35/51/35/1172355135.db2.gz LNTMLOBNRKTIHO-HNNXBMFYSA-N 2 1 291.439 1.439 10 30 CDEEMP CN/C(=[NH+]/C)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000306786316 375123866 /nfs/dbraw/zinc/12/38/66/375123866.db2.gz OYVYYQPOLYBSTF-UHFFFAOYSA-N 2 1 274.412 1.788 10 30 CDEEMP CN/C(=[NH+]/C)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000306786316 375123871 /nfs/dbraw/zinc/12/38/71/375123871.db2.gz OYVYYQPOLYBSTF-UHFFFAOYSA-N 2 1 274.412 1.788 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662861543 1172606254 /nfs/dbraw/zinc/60/62/54/1172606254.db2.gz BJBVGIACICYWAN-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663317248 1172671361 /nfs/dbraw/zinc/67/13/61/1172671361.db2.gz DNALNZJMJOQJHF-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001663317249 1172672084 /nfs/dbraw/zinc/67/20/84/1172672084.db2.gz DNALNZJMJOQJHF-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C[C@H](CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000575062828 335060965 /nfs/dbraw/zinc/06/09/65/335060965.db2.gz AQMZVFPRSISENV-CVEARBPZSA-N 2 1 278.444 1.781 10 30 CDEEMP C[C@H](CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000575062828 335060967 /nfs/dbraw/zinc/06/09/67/335060967.db2.gz AQMZVFPRSISENV-CVEARBPZSA-N 2 1 278.444 1.781 10 30 CDEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOCCC#N)CC1 ZINC000338981984 391238207 /nfs/dbraw/zinc/23/82/07/391238207.db2.gz QVGSLDVRONIGPH-MRXNPFEDSA-N 2 1 294.443 1.019 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOCCC#N)CC1 ZINC000338981984 391238213 /nfs/dbraw/zinc/23/82/13/391238213.db2.gz QVGSLDVRONIGPH-MRXNPFEDSA-N 2 1 294.443 1.019 10 30 CDEEMP C[N@@H+]1CCCC12CC[NH+](CCOCCC#N)CC2 ZINC000339061383 391248248 /nfs/dbraw/zinc/24/82/48/391248248.db2.gz CZOLUTFJWOWZNR-UHFFFAOYSA-N 2 1 251.374 1.477 10 30 CDEEMP C[N@H+]1CCCC12CC[NH+](CCOCCC#N)CC2 ZINC000339061383 391248250 /nfs/dbraw/zinc/24/82/50/391248250.db2.gz CZOLUTFJWOWZNR-UHFFFAOYSA-N 2 1 251.374 1.477 10 30 CDEEMP C=CCOCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658208194 413281415 /nfs/dbraw/zinc/28/14/15/413281415.db2.gz YQQFIVWYDWXHJY-INIZCTEOSA-N 2 1 282.428 1.812 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CCC[NH2+]1 ZINC000662754155 413429854 /nfs/dbraw/zinc/42/98/54/413429854.db2.gz FQBPSMRDGABJIY-JGGQBBKZSA-N 2 1 277.412 1.284 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001665681403 1173036978 /nfs/dbraw/zinc/03/69/78/1173036978.db2.gz FEKUOFSVYGENQE-LSDHHAIUSA-N 2 1 281.444 1.681 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](CCC)C2)CCC[NH2+]1 ZINC000662910260 413692998 /nfs/dbraw/zinc/69/29/98/413692998.db2.gz MZERZCVLQOBGIZ-DZGCQCFKSA-N 2 1 265.401 1.285 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCC[C@@H]1CO ZINC000043683942 175092222 /nfs/dbraw/zinc/09/22/22/175092222.db2.gz HTMPHFIBQBEBJK-GFCCVEGCSA-N 2 1 250.367 1.015 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CCCO)s1)C[C@@H]1CC[NH+](C)C1 ZINC000071190500 176066933 /nfs/dbraw/zinc/06/69/33/176066933.db2.gz CTTYQOBBNFHNIG-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCCO)s1)C[C@@H]1CC[NH+](C)C1 ZINC000071190500 176066934 /nfs/dbraw/zinc/06/69/34/176066934.db2.gz CTTYQOBBNFHNIG-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C[NH+](Cc1ccc(C#CCCO)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190500 176066936 /nfs/dbraw/zinc/06/69/36/176066936.db2.gz CTTYQOBBNFHNIG-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C[NH+](Cc1ccc(C#CCCO)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190500 176066937 /nfs/dbraw/zinc/06/69/37/176066937.db2.gz CTTYQOBBNFHNIG-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP CC(C)[NH+](CC#CC[N@H+](C[C@@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879201 263361923 /nfs/dbraw/zinc/36/19/23/263361923.db2.gz AYJBABXMEFLPLF-HZPDHXFCSA-N 2 1 284.444 1.172 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001667393673 1173263206 /nfs/dbraw/zinc/26/32/06/1173263206.db2.gz ORHZAZYZYOUELL-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267032707 1159093792 /nfs/dbraw/zinc/09/37/92/1159093792.db2.gz LGTICAIGIPUOMZ-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000262305314 330005047 /nfs/dbraw/zinc/00/50/47/330005047.db2.gz AIAXZLDNKFHMCF-OLZOCXBDSA-N 2 1 282.432 1.142 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CN(C)C(NCC1(O)CCCC1)=[NH+]C ZINC000262818551 330033917 /nfs/dbraw/zinc/03/39/17/330033917.db2.gz XHZUGLLEZIFMCN-AWEZNQCLSA-N 2 1 296.459 1.283 10 30 CDEEMP C#CCC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001725237094 1159235257 /nfs/dbraw/zinc/23/52/57/1159235257.db2.gz ADTNSEBGCGMNEF-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001725237094 1159235260 /nfs/dbraw/zinc/23/52/60/1159235260.db2.gz ADTNSEBGCGMNEF-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001725237094 1159235264 /nfs/dbraw/zinc/23/52/64/1159235264.db2.gz ADTNSEBGCGMNEF-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716480168 1180242605 /nfs/dbraw/zinc/24/26/05/1180242605.db2.gz NZRGVVBIBWTWGY-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001716480168 1180242610 /nfs/dbraw/zinc/24/26/10/1180242610.db2.gz NZRGVVBIBWTWGY-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)C ZINC001725729556 1182113384 /nfs/dbraw/zinc/11/33/84/1182113384.db2.gz YYKGORQMJNYLFL-HUUCEWRRSA-N 2 1 279.428 1.129 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001725729556 1182113387 /nfs/dbraw/zinc/11/33/87/1182113387.db2.gz YYKGORQMJNYLFL-HUUCEWRRSA-N 2 1 279.428 1.129 10 30 CDEEMP C=C(C)CC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001686989405 1174816071 /nfs/dbraw/zinc/81/60/71/1174816071.db2.gz HBTLKJJNNCQXBM-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C#C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CCOCC1 ZINC000895434558 619660787 /nfs/dbraw/zinc/66/07/87/619660787.db2.gz BBXJTYAUVLGPBW-WTXIUTQJSA-N 2 1 262.397 1.630 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000900658157 623338466 /nfs/dbraw/zinc/33/84/66/623338466.db2.gz HEBHANOYTFLDBU-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000907385043 627632207 /nfs/dbraw/zinc/63/22/07/627632207.db2.gz BSIVVYDIEGSLMI-UHFFFAOYSA-N 2 1 265.401 1.263 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261712845 679715372 /nfs/dbraw/zinc/71/53/72/679715372.db2.gz DUYQFVHTDGKMQH-KGLIPLIRSA-N 2 1 282.432 1.190 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001690977947 1158511512 /nfs/dbraw/zinc/51/15/12/1158511512.db2.gz MQQBQFFJEWWRFT-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 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299.846 1.661 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001700144418 1176769491 /nfs/dbraw/zinc/76/94/91/1176769491.db2.gz JTNBGAGGMNDONU-ZDUSSCGKSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001700193401 1176792980 /nfs/dbraw/zinc/79/29/80/1176792980.db2.gz YNVPMOGGFQFUMH-ZDUSSCGKSA-N 2 1 276.384 1.002 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001700193401 1176792984 /nfs/dbraw/zinc/79/29/84/1176792984.db2.gz YNVPMOGGFQFUMH-ZDUSSCGKSA-N 2 1 276.384 1.002 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001700439800 1176929145 /nfs/dbraw/zinc/92/91/45/1176929145.db2.gz BPEKCMRQDIXOAN-LSDHHAIUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001700614838 1177039099 /nfs/dbraw/zinc/03/90/99/1177039099.db2.gz GNWNEMRTHVFJSX-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCC=C)C1 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264.373 1.206 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266560446 895360535 /nfs/dbraw/zinc/36/05/35/895360535.db2.gz NGYCSXBAPWUVMY-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001266809066 896093734 /nfs/dbraw/zinc/09/37/34/896093734.db2.gz RNLWGHKIYXGTGJ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266816486 896112265 /nfs/dbraw/zinc/11/22/65/896112265.db2.gz DJAZPEPCVNEBJI-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267157135 896949097 /nfs/dbraw/zinc/94/90/97/896949097.db2.gz IBMFJTBWJIHVMJ-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267567404 898389298 /nfs/dbraw/zinc/38/92/98/898389298.db2.gz BXEIOABJKYOYJQ-OAHLLOKOSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481043931 898675920 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C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267734731 899438240 /nfs/dbraw/zinc/43/82/40/899438240.db2.gz WHKWVFVYCFHQDZ-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001267735616 899443426 /nfs/dbraw/zinc/44/34/26/899443426.db2.gz XSRSOMUBKSAXEL-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001267864388 899899663 /nfs/dbraw/zinc/89/96/63/899899663.db2.gz CLNSBIODIHMEHF-CZUORRHYSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267986664 900200430 /nfs/dbraw/zinc/20/04/30/900200430.db2.gz NTNSPNSJIJOUNA-MGPQQGTHSA-N 2 1 267.417 1.245 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001267988517 900207349 /nfs/dbraw/zinc/20/73/49/900207349.db2.gz UJZYSXDBRKFFGA-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001481508317 900965411 /nfs/dbraw/zinc/96/54/11/900965411.db2.gz IZFOJBZYZLDUOW-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001481508317 900965417 /nfs/dbraw/zinc/96/54/17/900965417.db2.gz IZFOJBZYZLDUOW-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001481508317 900965424 /nfs/dbraw/zinc/96/54/24/900965424.db2.gz IZFOJBZYZLDUOW-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268110512 901313444 /nfs/dbraw/zinc/31/34/44/901313444.db2.gz GMRDBHOJFMQUTJ-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001268739515 903061118 /nfs/dbraw/zinc/06/11/18/903061118.db2.gz BKKGNFOQDIUAGN-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268739515 903061129 /nfs/dbraw/zinc/06/11/29/903061129.db2.gz BKKGNFOQDIUAGN-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2ccnc2C)C1 ZINC001269355958 903731082 /nfs/dbraw/zinc/73/10/82/903731082.db2.gz LCYMSGGHFMLPEM-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001269355958 903731090 /nfs/dbraw/zinc/73/10/90/903731090.db2.gz LCYMSGGHFMLPEM-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001269355958 903731098 /nfs/dbraw/zinc/73/10/98/903731098.db2.gz LCYMSGGHFMLPEM-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001269926471 904213286 /nfs/dbraw/zinc/21/32/86/904213286.db2.gz CXERXEZRUWIPCF-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001269980842 904248330 /nfs/dbraw/zinc/24/83/30/904248330.db2.gz ICGXEFZNLQGHJM-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001270420257 904624847 /nfs/dbraw/zinc/62/48/47/904624847.db2.gz RHLWENAHNNRCFA-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001270778078 905035681 /nfs/dbraw/zinc/03/56/81/905035681.db2.gz DSJLJPWDXBLRMO-ZOBUZTSGSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001567884354 1169040453 /nfs/dbraw/zinc/04/04/53/1169040453.db2.gz FEKYFZFDVXMOST-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001271577156 906525395 /nfs/dbraw/zinc/52/53/95/906525395.db2.gz RIFNTHOWZNZFOF-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001271890817 906939712 /nfs/dbraw/zinc/93/97/12/906939712.db2.gz BUPRBHZAKQMCOE-OAGGEKHMSA-N 2 1 291.439 1.295 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001271890817 906939721 /nfs/dbraw/zinc/93/97/21/906939721.db2.gz BUPRBHZAKQMCOE-OAGGEKHMSA-N 2 1 291.439 1.295 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001271890817 906939732 /nfs/dbraw/zinc/93/97/32/906939732.db2.gz BUPRBHZAKQMCOE-OAGGEKHMSA-N 2 1 291.439 1.295 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001567943926 1169086275 /nfs/dbraw/zinc/08/62/75/1169086275.db2.gz JGIOLXWFLFELBM-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001567943926 1169086288 /nfs/dbraw/zinc/08/62/88/1169086288.db2.gz JGIOLXWFLFELBM-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567943926 1169086299 /nfs/dbraw/zinc/08/62/99/1169086299.db2.gz JGIOLXWFLFELBM-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001568000361 1169112404 /nfs/dbraw/zinc/11/24/04/1169112404.db2.gz POSGMCRIPIMVQD-HUUCEWRRSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001483448660 911131348 /nfs/dbraw/zinc/13/13/48/911131348.db2.gz XJXHNMGYEMFZLU-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001483811858 915095495 /nfs/dbraw/zinc/09/54/95/915095495.db2.gz DBZOKPDVTGGPJL-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001483811858 915095515 /nfs/dbraw/zinc/09/55/15/915095515.db2.gz DBZOKPDVTGGPJL-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001483811858 915095531 /nfs/dbraw/zinc/09/55/31/915095531.db2.gz DBZOKPDVTGGPJL-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001483914720 915188813 /nfs/dbraw/zinc/18/88/13/915188813.db2.gz ARODHTMVTKVPAQ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001485102652 916501915 /nfs/dbraw/zinc/50/19/15/916501915.db2.gz NAUUDNMQQITDBF-NFOMZHRRSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001485747291 917252568 /nfs/dbraw/zinc/25/25/68/917252568.db2.gz APHXZIHVUYSVDP-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272782296 919270585 /nfs/dbraw/zinc/27/05/85/919270585.db2.gz NFFQQUVBOWBXNR-YNEHKIRRSA-N 2 1 287.835 1.564 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486178405 920781562 /nfs/dbraw/zinc/78/15/62/920781562.db2.gz CRMHQLWWZXBZCU-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001568327521 1169247944 /nfs/dbraw/zinc/24/79/44/1169247944.db2.gz JXGVGAPDNDGYPT-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001568327521 1169247954 /nfs/dbraw/zinc/24/79/54/1169247954.db2.gz JXGVGAPDNDGYPT-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001649451079 1169258575 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CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001278671805 951448832 /nfs/dbraw/zinc/44/88/32/951448832.db2.gz CIUBEFCZPCYFAC-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001480479857 971748434 /nfs/dbraw/zinc/74/84/34/971748434.db2.gz NIADPYBPTPKRNI-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)CCCn2ccnc2C)C1 ZINC001324657913 953499912 /nfs/dbraw/zinc/49/99/12/953499912.db2.gz UOSWRPGBYIMQFL-MRXNPFEDSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@H+]1CC[C@@](C)(NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001324657913 953499917 /nfs/dbraw/zinc/49/99/17/953499917.db2.gz UOSWRPGBYIMQFL-MRXNPFEDSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001325465020 953914852 /nfs/dbraw/zinc/91/48/52/953914852.db2.gz DTJCARFACPZZFC-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001493998119 972157256 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10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001317381723 957443352 /nfs/dbraw/zinc/44/33/52/957443352.db2.gz BVDKOMSIWLVIAS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001317381723 957443354 /nfs/dbraw/zinc/44/33/54/957443354.db2.gz BVDKOMSIWLVIAS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317381723 957443359 /nfs/dbraw/zinc/44/33/59/957443359.db2.gz BVDKOMSIWLVIAS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001317524739 957529731 /nfs/dbraw/zinc/52/97/31/957529731.db2.gz BMHYJTPRFUMMAK-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001317524739 957529735 /nfs/dbraw/zinc/52/97/35/957529735.db2.gz BMHYJTPRFUMMAK-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001317524739 957529743 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C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001320033776 958889063 /nfs/dbraw/zinc/88/90/63/958889063.db2.gz DLBUKOCVADDEKE-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322194319 960125939 /nfs/dbraw/zinc/12/59/39/960125939.db2.gz RBIQUUONOHBXNV-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001322194319 960125948 /nfs/dbraw/zinc/12/59/48/960125948.db2.gz RBIQUUONOHBXNV-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001322194319 960125960 /nfs/dbraw/zinc/12/59/60/960125960.db2.gz RBIQUUONOHBXNV-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001324176271 961215470 /nfs/dbraw/zinc/21/54/70/961215470.db2.gz SNPFDCAFDNOASU-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001324213337 961239728 /nfs/dbraw/zinc/23/97/28/961239728.db2.gz MUJLIBUICYNQDP-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)Nc2cc(C)[nH+]c(C)c2)CC1 ZINC001340495972 962967977 /nfs/dbraw/zinc/96/79/77/962967977.db2.gz ZMRBARCANHIBOF-UHFFFAOYSA-N 2 1 271.364 1.404 10 30 CDEEMP C=CCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC001460887467 969560093 /nfs/dbraw/zinc/56/00/93/969560093.db2.gz UVXNHZJVCJUYGR-HUUCEWRRSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCC[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC001460887467 969560098 /nfs/dbraw/zinc/56/00/98/969560098.db2.gz UVXNHZJVCJUYGR-HUUCEWRRSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCC[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC001460887467 969560104 /nfs/dbraw/zinc/56/01/04/969560104.db2.gz UVXNHZJVCJUYGR-HUUCEWRRSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCC[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC001460887467 969560107 /nfs/dbraw/zinc/56/01/07/969560107.db2.gz UVXNHZJVCJUYGR-HUUCEWRRSA-N 2 1 252.402 1.872 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=C)Cl ZINC001496080758 972788593 /nfs/dbraw/zinc/78/85/93/972788593.db2.gz RMAAKXPOUVIVIC-KGLIPLIRSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=C)Cl ZINC001496080758 972788597 /nfs/dbraw/zinc/78/85/97/972788597.db2.gz RMAAKXPOUVIVIC-KGLIPLIRSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001496127652 972807532 /nfs/dbraw/zinc/80/75/32/972807532.db2.gz JRKMINCVBQQEPQ-OAHLLOKOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001496603484 972984807 /nfs/dbraw/zinc/98/48/07/972984807.db2.gz SGORHQJWTSABSQ-ZIAGYGMSSA-N 2 1 267.417 1.245 10 30 CDEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1C ZINC001498022791 973627607 /nfs/dbraw/zinc/62/76/07/973627607.db2.gz WXWYWXTZZGMKRY-DOTOQJQBSA-N 2 1 299.418 1.227 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001499119521 974191002 /nfs/dbraw/zinc/19/10/02/974191002.db2.gz DZNRWQULDCAVOI-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001499119521 974191007 /nfs/dbraw/zinc/19/10/07/974191007.db2.gz DZNRWQULDCAVOI-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001499613490 974274312 /nfs/dbraw/zinc/27/43/12/974274312.db2.gz DUFSVYYTLCKTMI-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500402776 974432319 /nfs/dbraw/zinc/43/23/19/974432319.db2.gz ZPUCBQCZXMPWNE-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001505693869 974966927 /nfs/dbraw/zinc/96/69/27/974966927.db2.gz GMKZADXTJYWBMS-UONOGXRCSA-N 2 1 281.444 1.470 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001505922315 975043768 /nfs/dbraw/zinc/04/37/68/975043768.db2.gz LTPLTVYAUUYUNJ-HZSPNIEDSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001404513339 975411013 /nfs/dbraw/zinc/41/10/13/975411013.db2.gz KQVAENVEVZURMO-CYBMUJFWSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001378858430 975521010 /nfs/dbraw/zinc/52/10/10/975521010.db2.gz OSINEVYOLODWIT-LBPRGKRZSA-N 2 1 275.824 1.516 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001398946122 976263418 /nfs/dbraw/zinc/26/34/18/976263418.db2.gz FOQYVZXKYDOSMR-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001381432450 976822736 /nfs/dbraw/zinc/82/27/36/976822736.db2.gz GKQVOXFWNTUPDZ-NEPJUHHUSA-N 2 1 275.824 1.564 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001492816497 977650120 /nfs/dbraw/zinc/65/01/20/977650120.db2.gz HZUXZVJWYFGSSR-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001570197973 1170110072 /nfs/dbraw/zinc/11/00/72/1170110072.db2.gz YHBYNQZRJHTJOU-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001570197973 1170110079 /nfs/dbraw/zinc/11/00/79/1170110079.db2.gz YHBYNQZRJHTJOU-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001570197973 1170110082 /nfs/dbraw/zinc/11/00/82/1170110082.db2.gz YHBYNQZRJHTJOU-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001571003082 1170329139 /nfs/dbraw/zinc/32/91/39/1170329139.db2.gz WXZCSGBIRNNRFA-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(C#N)c1)CCO2 ZINC000592182690 342679485 /nfs/dbraw/zinc/67/94/85/342679485.db2.gz OZYBBGLNXRWPMP-UHFFFAOYSA-N 2 1 285.391 1.855 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C#N)c1)CCO2 ZINC000592182690 342679486 /nfs/dbraw/zinc/67/94/86/342679486.db2.gz OZYBBGLNXRWPMP-UHFFFAOYSA-N 2 1 285.391 1.855 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)C[C@H]1C ZINC000594440095 342907082 /nfs/dbraw/zinc/90/70/82/342907082.db2.gz ZKSLXUYXQKWTSU-QLFBSQMISA-N 2 1 294.443 1.729 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660190138 1172174351 /nfs/dbraw/zinc/17/43/51/1172174351.db2.gz IWPKGHITQUAHED-UHFFFAOYSA-N 2 1 293.455 1.877 10 30 CDEEMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1C#N ZINC000234902527 358970744 /nfs/dbraw/zinc/97/07/44/358970744.db2.gz JVEKZJLWDIBYDF-UHFFFAOYSA-N 2 1 259.353 1.751 10 30 CDEEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C#N)c2)C1 ZINC000087823723 361639567 /nfs/dbraw/zinc/63/95/67/361639567.db2.gz FIYFICGDBDEJJQ-AWEZNQCLSA-N 2 1 273.380 1.998 10 30 CDEEMP CN1CC[NH+]=C1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000262675035 370448479 /nfs/dbraw/zinc/44/84/79/370448479.db2.gz STQOAVNINIOTSQ-QGZVFWFLSA-N 2 1 286.423 1.932 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001661843036 1172455218 /nfs/dbraw/zinc/45/52/18/1172455218.db2.gz YTICFUHPMMKZEL-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP N#Cc1csc(C[NH2+]CCCC[NH+]2CCOCC2)n1 ZINC000352839327 374367025 /nfs/dbraw/zinc/36/70/25/374367025.db2.gz JLCAYRAYBPJKDP-UHFFFAOYSA-N 2 1 280.397 1.217 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000339044929 391244839 /nfs/dbraw/zinc/24/48/39/391244839.db2.gz QNTOROFKMMGVIP-ZBFHGGJFSA-N 2 1 277.412 1.865 10 30 CDEEMP N#CCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044929 391244844 /nfs/dbraw/zinc/24/48/44/391244844.db2.gz QNTOROFKMMGVIP-ZBFHGGJFSA-N 2 1 277.412 1.865 10 30 CDEEMP N#CCCOCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000339044929 391244849 /nfs/dbraw/zinc/24/48/49/391244849.db2.gz QNTOROFKMMGVIP-ZBFHGGJFSA-N 2 1 277.412 1.865 10 30 CDEEMP C=CC[C@@]1(C(=O)NCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662702349 413348385 /nfs/dbraw/zinc/34/83/85/413348385.db2.gz ZFNQXHWZCVGMMY-AWEZNQCLSA-N 2 1 262.357 1.006 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662712830 413364953 /nfs/dbraw/zinc/36/49/53/413364953.db2.gz LQRBOKBBWXXTRD-IUODEOHRSA-N 2 1 265.401 1.284 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655777391 412488017 /nfs/dbraw/zinc/48/80/17/412488017.db2.gz RRRJHRPMWUUFHY-IMJJTQAJSA-N 2 1 280.412 1.420 10 30 CDEEMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684123 175093261 /nfs/dbraw/zinc/09/32/61/175093261.db2.gz XYCDUAUTKOWBNX-DGCLKSJQSA-N 2 1 291.420 1.144 10 30 CDEEMP COCC[N@H+](CCC[C@](C)([NH3+])C#N)[C@@H](C)C1CC1 ZINC000045317385 175358291 /nfs/dbraw/zinc/35/82/91/175358291.db2.gz FDFVTGDIZKXVTP-JSGCOSHPSA-N 2 1 253.390 1.754 10 30 CDEEMP COCC[N@@H+](CCC[C@](C)([NH3+])C#N)[C@@H](C)C1CC1 ZINC000045317385 175358293 /nfs/dbraw/zinc/35/82/93/175358293.db2.gz FDFVTGDIZKXVTP-JSGCOSHPSA-N 2 1 253.390 1.754 10 30 CDEEMP CN(Cc1ccccc1C#CC[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071190473 176066743 /nfs/dbraw/zinc/06/67/43/176066743.db2.gz JIKYKRVOAUFTLM-HNNXBMFYSA-N 2 1 271.408 1.380 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071190473 176066745 /nfs/dbraw/zinc/06/67/45/176066745.db2.gz JIKYKRVOAUFTLM-HNNXBMFYSA-N 3 1 271.408 1.380 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CC[NH3+])C[C@H]1CC[NH+](C)C1 ZINC000071190473 176066746 /nfs/dbraw/zinc/06/67/46/176066746.db2.gz JIKYKRVOAUFTLM-HNNXBMFYSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccccc1C#CC[NH3+])C[C@H]1CC[N@H+](C)C1 ZINC000071190473 176066748 /nfs/dbraw/zinc/06/67/48/176066748.db2.gz JIKYKRVOAUFTLM-HNNXBMFYSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccccc1C#CC[NH3+])C[C@H]1CC[N@@H+](C)C1 ZINC000071190473 176066749 /nfs/dbraw/zinc/06/67/49/176066749.db2.gz JIKYKRVOAUFTLM-HNNXBMFYSA-N 3 1 271.408 1.380 10 30 CDEEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])s1 ZINC000071192982 176074724 /nfs/dbraw/zinc/07/47/24/176074724.db2.gz YTQLIZKFZGZWSW-GFCCVEGCSA-N 2 1 291.420 1.082 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001666298026 1173124568 /nfs/dbraw/zinc/12/45/68/1173124568.db2.gz GPQLGJMSEQFWJL-RBSFLKMASA-N 2 1 279.428 1.674 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001667492795 1173275227 /nfs/dbraw/zinc/27/52/27/1173275227.db2.gz DDNBDPQPFBZBPV-CABCVRRESA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001669446366 1173551239 /nfs/dbraw/zinc/55/12/39/1173551239.db2.gz GPDSPOMOGQTZJS-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CCN(C(=O)CC[N@H+](C)CCC)C1CC[NH+](CC)CC1 ZINC001671504016 1173685085 /nfs/dbraw/zinc/68/50/85/1173685085.db2.gz KSTFPAYEILHOLF-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)C(C)C ZINC001267510722 1159422463 /nfs/dbraw/zinc/42/24/63/1159422463.db2.gz ABCRABJPIMMOJA-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268459110 1159947006 /nfs/dbraw/zinc/94/70/06/1159947006.db2.gz NTGUZIYJWVZJOK-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713362295 1178521303 /nfs/dbraw/zinc/52/13/03/1178521303.db2.gz VZIWCIUSECXUBF-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001716497609 1180254059 /nfs/dbraw/zinc/25/40/59/1180254059.db2.gz MQZHAZHMCQRIQI-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716497609 1180254065 /nfs/dbraw/zinc/25/40/65/1180254065.db2.gz MQZHAZHMCQRIQI-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001716497609 1180254069 /nfs/dbraw/zinc/25/40/69/1180254069.db2.gz MQZHAZHMCQRIQI-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001689329953 1175146072 /nfs/dbraw/zinc/14/60/72/1175146072.db2.gz XVOOTBDPVRCLKX-ILXRZTDVSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690051868 1175357724 /nfs/dbraw/zinc/35/77/24/1175357724.db2.gz YHDMUPFDQDPYFH-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690051868 1175357729 /nfs/dbraw/zinc/35/77/29/1175357729.db2.gz YHDMUPFDQDPYFH-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)CC1(C)C ZINC000940807622 613202392 /nfs/dbraw/zinc/20/23/92/613202392.db2.gz RSACIICSKPOZHP-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC)CC1(C)C ZINC000940807622 613202394 /nfs/dbraw/zinc/20/23/94/613202394.db2.gz RSACIICSKPOZHP-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC1(C)C ZINC000940807622 613202395 /nfs/dbraw/zinc/20/23/95/613202395.db2.gz RSACIICSKPOZHP-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC)CC1(C)C ZINC000940807622 613202397 /nfs/dbraw/zinc/20/23/97/613202397.db2.gz RSACIICSKPOZHP-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926491994 617899546 /nfs/dbraw/zinc/89/95/46/617899546.db2.gz ZLEUFCPZWQSXAX-WLYUNCDWSA-N 2 1 250.386 1.489 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000926491994 617899548 /nfs/dbraw/zinc/89/95/48/617899548.db2.gz ZLEUFCPZWQSXAX-WLYUNCDWSA-N 2 1 250.386 1.489 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000900410424 623016045 /nfs/dbraw/zinc/01/60/45/623016045.db2.gz TZZZRMOUESFREP-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000900823060 623527201 /nfs/dbraw/zinc/52/72/01/623527201.db2.gz SIOJMCDXMIPSTJ-CABCVRRESA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000900823398 623528413 /nfs/dbraw/zinc/52/84/13/623528413.db2.gz VAHQLROUDNVROH-KBPBESRZSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000900824980 623533581 /nfs/dbraw/zinc/53/35/81/623533581.db2.gz QHUYIVVYUYRLHS-UONOGXRCSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+](C)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000903915023 626134558 /nfs/dbraw/zinc/13/45/58/626134558.db2.gz XLUIKOOUTZBUCT-DKUMPPAJSA-N 2 1 277.412 1.236 10 30 CDEEMP C=C[C@H]1CCCC[N@@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903912362 626144927 /nfs/dbraw/zinc/14/49/27/626144927.db2.gz DKXNXMNONRPJLS-KBPBESRZSA-N 2 1 275.400 1.743 10 30 CDEEMP C=C[C@H]1CCCC[N@H+]1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903912362 626144928 /nfs/dbraw/zinc/14/49/28/626144928.db2.gz DKXNXMNONRPJLS-KBPBESRZSA-N 2 1 275.400 1.743 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001772513976 1158529368 /nfs/dbraw/zinc/52/93/68/1158529368.db2.gz AKWLAQYVSZUXSO-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP CCNC(N[C@@H]1C[C@@H]([NH+]2CCOCC2)C12CCC2)=[NH+]CC ZINC000853013108 684496851 /nfs/dbraw/zinc/49/68/51/684496851.db2.gz QZRXGWRDZDKERX-ZIAGYGMSSA-N 2 1 294.443 1.205 10 30 CDEEMP C#CC[N@@H+](C)CCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000826109176 684987848 /nfs/dbraw/zinc/98/78/48/684987848.db2.gz UELBKNZNOBUSJN-UHFFFAOYSA-N 2 1 273.384 1.305 10 30 CDEEMP COc1c[nH+]ccc1N1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801953192 685209163 /nfs/dbraw/zinc/20/91/63/685209163.db2.gz KRBHGQMDOKYDKP-CYBMUJFWSA-N 2 1 290.367 1.141 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926152543 685722628 /nfs/dbraw/zinc/72/26/28/685722628.db2.gz IOUJPDYOMZJOSO-FFHGMXDLSA-N 2 1 268.401 1.155 10 30 CDEEMP C[NH+]=C(NCc1ccoc1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000245644620 686886758 /nfs/dbraw/zinc/88/67/58/686886758.db2.gz SZAWOBQDFZBKJY-GXTWGEPZSA-N 2 1 278.400 1.673 10 30 CDEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1[C@H]3C[C@H]4C[NH2+][C@H]1[C@H]4C3)C2 ZINC000925729032 688012476 /nfs/dbraw/zinc/01/24/76/688012476.db2.gz ODFWASMIGKUOJU-SOMFZHDCSA-N 2 1 279.387 1.611 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691409399 1159057884 /nfs/dbraw/zinc/05/78/84/1159057884.db2.gz DGPQBWNXJSCQKO-KGLIPLIRSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691409399 1159057891 /nfs/dbraw/zinc/05/78/91/1159057891.db2.gz DGPQBWNXJSCQKO-KGLIPLIRSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691409399 1159057899 /nfs/dbraw/zinc/05/78/99/1159057899.db2.gz DGPQBWNXJSCQKO-KGLIPLIRSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691417033 1159064589 /nfs/dbraw/zinc/06/45/89/1159064589.db2.gz SRYIICZVRZGPCS-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417033 1159064597 /nfs/dbraw/zinc/06/45/97/1159064597.db2.gz SRYIICZVRZGPCS-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417033 1159064607 /nfs/dbraw/zinc/06/46/07/1159064607.db2.gz SRYIICZVRZGPCS-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001670544488 1158633969 /nfs/dbraw/zinc/63/39/69/1158633969.db2.gz MDRNIRCHFQXMTL-GDBMZVCRSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001267142761 1159136036 /nfs/dbraw/zinc/13/60/36/1159136036.db2.gz VYMRNXUBIOQDSM-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@@H+](C)CCC ZINC001691674868 1161556812 /nfs/dbraw/zinc/55/68/12/1161556812.db2.gz NTGVBJFDJIDWIJ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+]1CC[C@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001691674868 1161556819 /nfs/dbraw/zinc/55/68/19/1161556819.db2.gz NTGVBJFDJIDWIJ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001691674868 1161556827 /nfs/dbraw/zinc/55/68/27/1161556827.db2.gz NTGVBJFDJIDWIJ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001691674868 1161556835 /nfs/dbraw/zinc/55/68/35/1161556835.db2.gz NTGVBJFDJIDWIJ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001567218235 1168625581 /nfs/dbraw/zinc/62/55/81/1168625581.db2.gz GUAFGSKKMKDTLW-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001567738111 1168943342 /nfs/dbraw/zinc/94/33/42/1168943342.db2.gz MJSIVVWCQVFZLV-HNNXBMFYSA-N 2 1 293.455 1.378 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567738111 1168943346 /nfs/dbraw/zinc/94/33/46/1168943346.db2.gz MJSIVVWCQVFZLV-HNNXBMFYSA-N 2 1 293.455 1.378 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001567738111 1168943358 /nfs/dbraw/zinc/94/33/58/1168943358.db2.gz MJSIVVWCQVFZLV-HNNXBMFYSA-N 2 1 293.455 1.378 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001568858146 1169522197 /nfs/dbraw/zinc/52/21/97/1169522197.db2.gz IQPKBPDQQWBRJL-IDTUSYRASA-N 2 1 277.412 1.146 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001569565910 1169926042 /nfs/dbraw/zinc/92/60/42/1169926042.db2.gz HCCJBKOKYUYFME-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001570540807 1170183008 /nfs/dbraw/zinc/18/30/08/1170183008.db2.gz TURXSQATRTXMPL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001571117945 1170337957 /nfs/dbraw/zinc/33/79/57/1170337957.db2.gz MIFMVDJZCOECIT-BZUAXINKSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001571486358 1170450595 /nfs/dbraw/zinc/45/05/95/1170450595.db2.gz CWJQBNFILUAHDI-KBPBESRZSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001571624920 1170500811 /nfs/dbraw/zinc/50/08/11/1170500811.db2.gz SMSKHDBMNXYKSX-LSDHHAIUSA-N 2 1 293.455 1.613 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001662642133 1172573753 /nfs/dbraw/zinc/57/37/53/1172573753.db2.gz ZWYNZWMCWLERMI-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001663257786 1172662403 /nfs/dbraw/zinc/66/24/03/1172662403.db2.gz GWRKVERJUCZEED-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001663257786 1172662405 /nfs/dbraw/zinc/66/24/05/1172662405.db2.gz GWRKVERJUCZEED-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001663257786 1172662408 /nfs/dbraw/zinc/66/24/08/1172662408.db2.gz GWRKVERJUCZEED-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001663317247 1172671949 /nfs/dbraw/zinc/67/19/49/1172671949.db2.gz DNALNZJMJOQJHF-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001666173092 1173116340 /nfs/dbraw/zinc/11/63/40/1173116340.db2.gz QMRAWOPWCCACMN-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001690576556 1175509761 /nfs/dbraw/zinc/50/97/61/1175509761.db2.gz DBFPOPZWGAADEN-OLZOCXBDSA-N 2 1 276.384 1.124 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690842898 1175587756 /nfs/dbraw/zinc/58/77/56/1175587756.db2.gz GNWQYESIFNNETG-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001691861206 1175637609 /nfs/dbraw/zinc/63/76/09/1175637609.db2.gz RYEAUXUIABSHAI-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001698605209 1175869276 /nfs/dbraw/zinc/86/92/76/1175869276.db2.gz UKEBBGGDKOKMJJ-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698709098 1175900660 /nfs/dbraw/zinc/90/06/60/1175900660.db2.gz ANBANSFPRUCZCI-JYJNAYRXSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC1 ZINC001698829682 1175953350 /nfs/dbraw/zinc/95/33/50/1175953350.db2.gz RYKBQADULUMYOD-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC1 ZINC001698829682 1175953354 /nfs/dbraw/zinc/95/33/54/1175953354.db2.gz RYKBQADULUMYOD-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001699163858 1176119423 /nfs/dbraw/zinc/11/94/23/1176119423.db2.gz LFVQULIFCQAAHT-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001699187415 1176131808 /nfs/dbraw/zinc/13/18/08/1176131808.db2.gz PZOTXYFRELDMNV-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001699313264 1176213865 /nfs/dbraw/zinc/21/38/65/1176213865.db2.gz BACDJMRLTZLKRG-WNEUIUNWSA-N 2 1 291.439 1.841 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C1CCCC1 ZINC001699802250 1176626468 /nfs/dbraw/zinc/62/64/68/1176626468.db2.gz WUNGHIQQOSSKNH-HNNXBMFYSA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001700016770 1176720330 /nfs/dbraw/zinc/72/03/30/1176720330.db2.gz KWEPRPPGOHPTAI-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001700016770 1176720336 /nfs/dbraw/zinc/72/03/36/1176720336.db2.gz KWEPRPPGOHPTAI-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001700016770 1176720342 /nfs/dbraw/zinc/72/03/42/1176720342.db2.gz KWEPRPPGOHPTAI-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001700770640 1177124483 /nfs/dbraw/zinc/12/44/83/1177124483.db2.gz OZTPVDQEXZXSTO-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001713221904 1178440493 /nfs/dbraw/zinc/44/04/93/1178440493.db2.gz SXZJKUVDVSLWHS-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001713221904 1178440498 /nfs/dbraw/zinc/44/04/98/1178440498.db2.gz SXZJKUVDVSLWHS-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001713221904 1178440502 /nfs/dbraw/zinc/44/05/02/1178440502.db2.gz SXZJKUVDVSLWHS-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001713255149 1178455592 /nfs/dbraw/zinc/45/55/92/1178455592.db2.gz GLKJSQNDDWQJAN-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C1CCC(NC(=O)CC[N@H+](C)CC)CC1 ZINC001713291677 1178470062 /nfs/dbraw/zinc/47/00/62/1178470062.db2.gz UKUJCBUZYZRALC-UHFFFAOYSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001713330871 1178500710 /nfs/dbraw/zinc/50/07/10/1178500710.db2.gz FOKHSHPRWBZEMZ-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379951 1178529243 /nfs/dbraw/zinc/52/92/43/1178529243.db2.gz YBWWQLZDAHHJLU-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713397207 1178536479 /nfs/dbraw/zinc/53/64/79/1178536479.db2.gz LFYPSSUUIJCDLM-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713436038 1178560021 /nfs/dbraw/zinc/56/00/21/1178560021.db2.gz CSPBZGVKGPAAJW-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713436038 1178560024 /nfs/dbraw/zinc/56/00/24/1178560024.db2.gz CSPBZGVKGPAAJW-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713436038 1178560029 /nfs/dbraw/zinc/56/00/29/1178560029.db2.gz CSPBZGVKGPAAJW-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001713486918 1178601083 /nfs/dbraw/zinc/60/10/83/1178601083.db2.gz ZZDHSKVKHDAVJL-CHWSQXEVSA-N 2 1 276.384 1.527 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713738969 1178731412 /nfs/dbraw/zinc/73/14/12/1178731412.db2.gz NFBMIRXHLOKDKG-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001713853180 1178794158 /nfs/dbraw/zinc/79/41/58/1178794158.db2.gz DLGIBBPQTLBCPG-INIZCTEOSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001714004859 1178923264 /nfs/dbraw/zinc/92/32/64/1178923264.db2.gz XGLABXCGLQNAEO-ZIAGYGMSSA-N 2 1 285.407 1.385 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714075717 1178961184 /nfs/dbraw/zinc/96/11/84/1178961184.db2.gz ZHBWULRQJPGJJR-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714108474 1178978051 /nfs/dbraw/zinc/97/80/51/1178978051.db2.gz PTSOPXCJOQTCNM-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714108474 1178978053 /nfs/dbraw/zinc/97/80/53/1178978053.db2.gz PTSOPXCJOQTCNM-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714108474 1178978056 /nfs/dbraw/zinc/97/80/56/1178978056.db2.gz PTSOPXCJOQTCNM-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001714114870 1178978914 /nfs/dbraw/zinc/97/89/14/1178978914.db2.gz ODBDWFVJFWRCAZ-LSDHHAIUSA-N 2 1 290.411 1.991 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001714222234 1179028752 /nfs/dbraw/zinc/02/87/52/1179028752.db2.gz RDQGVOWWRRBMCI-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001714367814 1179107008 /nfs/dbraw/zinc/10/70/08/1179107008.db2.gz TYHOJVZWVASAGK-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001714455729 1179146229 /nfs/dbraw/zinc/14/62/29/1179146229.db2.gz ZIAGGBPTRIMARG-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001714455729 1179146232 /nfs/dbraw/zinc/14/62/32/1179146232.db2.gz ZIAGGBPTRIMARG-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001714455729 1179146235 /nfs/dbraw/zinc/14/62/35/1179146235.db2.gz ZIAGGBPTRIMARG-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001714666647 1179311560 /nfs/dbraw/zinc/31/15/60/1179311560.db2.gz CYOMROACOHWLSR-UHFFFAOYSA-N 2 1 289.423 1.219 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001714862053 1179424871 /nfs/dbraw/zinc/42/48/71/1179424871.db2.gz FTGRLPRDYIIGFF-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714862053 1179424876 /nfs/dbraw/zinc/42/48/76/1179424876.db2.gz FTGRLPRDYIIGFF-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714862053 1179424881 /nfs/dbraw/zinc/42/48/81/1179424881.db2.gz FTGRLPRDYIIGFF-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714912821 1179448162 /nfs/dbraw/zinc/44/81/62/1179448162.db2.gz PWWZXWXMKACIPR-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715033495 1179518940 /nfs/dbraw/zinc/51/89/40/1179518940.db2.gz XMUFUSAFMRILOW-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001715257387 1179598792 /nfs/dbraw/zinc/59/87/92/1179598792.db2.gz OJNJGUQOGKJOSU-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715523705 1179699036 /nfs/dbraw/zinc/69/90/36/1179699036.db2.gz WXPFKDSLJFJTGC-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001715523705 1179699038 /nfs/dbraw/zinc/69/90/38/1179699038.db2.gz WXPFKDSLJFJTGC-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001716901014 1180458120 /nfs/dbraw/zinc/45/81/20/1180458120.db2.gz ZDNAVCGWNZUCMK-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001716901014 1180458123 /nfs/dbraw/zinc/45/81/23/1180458123.db2.gz ZDNAVCGWNZUCMK-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001716901014 1180458126 /nfs/dbraw/zinc/45/81/26/1180458126.db2.gz ZDNAVCGWNZUCMK-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@H](C)n1ccnc1 ZINC001717375352 1180636259 /nfs/dbraw/zinc/63/62/59/1180636259.db2.gz XAMXONZSTIHGCB-LSDHHAIUSA-N 2 1 290.411 1.943 10 30 CDEEMP CC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001717811176 1180870807 /nfs/dbraw/zinc/87/08/07/1180870807.db2.gz BVKHURSRSAYIOO-ZIAGYGMSSA-N 2 1 277.412 1.073 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001717843182 1180889475 /nfs/dbraw/zinc/88/94/75/1180889475.db2.gz WHOPXAFJRGGZHG-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001723581559 1181589523 /nfs/dbraw/zinc/58/95/23/1181589523.db2.gz QOQNISQIYANWIP-ZDUSSCGKSA-N 2 1 265.401 1.143 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001725426014 1181995476 /nfs/dbraw/zinc/99/54/76/1181995476.db2.gz SHEMWVOHWXAVCA-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001725426014 1181995483 /nfs/dbraw/zinc/99/54/83/1181995483.db2.gz SHEMWVOHWXAVCA-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001725426014 1181995487 /nfs/dbraw/zinc/99/54/87/1181995487.db2.gz SHEMWVOHWXAVCA-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001725494878 1182023172 /nfs/dbraw/zinc/02/31/72/1182023172.db2.gz JWORLTLCASKVFR-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C(C)(C)C ZINC001725753992 1182121422 /nfs/dbraw/zinc/12/14/22/1182121422.db2.gz DLRCOZMAZYRJCX-CYBMUJFWSA-N 2 1 278.400 1.498 10 30 CDEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001725818140 1182142427 /nfs/dbraw/zinc/14/24/27/1182142427.db2.gz LBVMXEZAPDZEIG-UHFFFAOYSA-N 2 1 288.395 1.516 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001725818140 1182142431 /nfs/dbraw/zinc/14/24/31/1182142431.db2.gz LBVMXEZAPDZEIG-UHFFFAOYSA-N 2 1 288.395 1.516 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001731665533 1182509892 /nfs/dbraw/zinc/50/98/92/1182509892.db2.gz ZQVRSQSCDHGHQG-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731827087 1182611265 /nfs/dbraw/zinc/61/12/65/1182611265.db2.gz JUIFFKPXODGAJP-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731827087 1182611273 /nfs/dbraw/zinc/61/12/73/1182611273.db2.gz JUIFFKPXODGAJP-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001731857427 1182630721 /nfs/dbraw/zinc/63/07/21/1182630721.db2.gz LRAODVKCXGVOOJ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001731878181 1182646218 /nfs/dbraw/zinc/64/62/18/1182646218.db2.gz UQXGBVFENGCAGG-CVEARBPZSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001731878181 1182646219 /nfs/dbraw/zinc/64/62/19/1182646219.db2.gz UQXGBVFENGCAGG-CVEARBPZSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC1 ZINC001731878181 1182646222 /nfs/dbraw/zinc/64/62/22/1182646222.db2.gz UQXGBVFENGCAGG-CVEARBPZSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21)C1CC1 ZINC001731878181 1182646224 /nfs/dbraw/zinc/64/62/24/1182646224.db2.gz UQXGBVFENGCAGG-CVEARBPZSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732003034 1182719437 /nfs/dbraw/zinc/71/94/37/1182719437.db2.gz UOPVVLWKSJXQCY-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001732049358 1182740802 /nfs/dbraw/zinc/74/08/02/1182740802.db2.gz QIXMULFILUVUBJ-LSDHHAIUSA-N 2 1 297.418 1.128 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732437152 1182965118 /nfs/dbraw/zinc/96/51/18/1182965118.db2.gz ADHJEEIDUCKSJA-CYBMUJFWSA-N 2 1 269.433 1.587 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001733603366 1183477382 /nfs/dbraw/zinc/47/73/82/1183477382.db2.gz NTIWDMRMWPYVKR-HZPDHXFCSA-N 2 1 291.439 1.415 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001733603366 1183477383 /nfs/dbraw/zinc/47/73/83/1183477383.db2.gz NTIWDMRMWPYVKR-HZPDHXFCSA-N 2 1 291.439 1.415 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@@H+](C)C(C)C ZINC001733603366 1183477384 /nfs/dbraw/zinc/47/73/84/1183477384.db2.gz NTIWDMRMWPYVKR-HZPDHXFCSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001733904175 1183563328 /nfs/dbraw/zinc/56/33/28/1183563328.db2.gz ZIUSAHHNKXLSDJ-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001733904175 1183563330 /nfs/dbraw/zinc/56/33/30/1183563330.db2.gz ZIUSAHHNKXLSDJ-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001733904175 1183563332 /nfs/dbraw/zinc/56/33/32/1183563332.db2.gz ZIUSAHHNKXLSDJ-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001734286982 1183713253 /nfs/dbraw/zinc/71/32/53/1183713253.db2.gz ZRIXCBXTOZGHIP-BZUAXINKSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001734456424 1183784249 /nfs/dbraw/zinc/78/42/49/1183784249.db2.gz GCESASLUCBJRCL-ZIAGYGMSSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001734456424 1183784253 /nfs/dbraw/zinc/78/42/53/1183784253.db2.gz GCESASLUCBJRCL-ZIAGYGMSSA-N 2 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253.390 1.047 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001263865776 944013674 /nfs/dbraw/zinc/01/36/74/944013674.db2.gz UCXYOENJLPOHPS-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001265232770 944290938 /nfs/dbraw/zinc/29/09/38/944290938.db2.gz FRDRYANWKMALNB-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265232770 944290944 /nfs/dbraw/zinc/29/09/44/944290944.db2.gz FRDRYANWKMALNB-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001265232770 944290952 /nfs/dbraw/zinc/29/09/52/944290952.db2.gz FRDRYANWKMALNB-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001281767764 944520393 /nfs/dbraw/zinc/52/03/93/944520393.db2.gz AEJZBEWXZHKQBQ-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266020246 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CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001327164503 954743813 /nfs/dbraw/zinc/74/38/13/954743813.db2.gz UPTHYJSLVLOVFQ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001327164503 954743822 /nfs/dbraw/zinc/74/38/22/954743822.db2.gz UPTHYJSLVLOVFQ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001327164503 954743840 /nfs/dbraw/zinc/74/38/40/954743840.db2.gz UPTHYJSLVLOVFQ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001328785820 955476149 /nfs/dbraw/zinc/47/61/49/955476149.db2.gz KMWLRJFCMZMWTC-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001328785820 955476160 /nfs/dbraw/zinc/47/61/60/955476160.db2.gz KMWLRJFCMZMWTC-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001328785820 955476167 /nfs/dbraw/zinc/47/61/67/955476167.db2.gz KMWLRJFCMZMWTC-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(C)C ZINC001492036073 955622735 /nfs/dbraw/zinc/62/27/35/955622735.db2.gz CEONMSDWXQHMDE-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(C)C ZINC001492036073 955622742 /nfs/dbraw/zinc/62/27/42/955622742.db2.gz CEONMSDWXQHMDE-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001569209964 1169723313 /nfs/dbraw/zinc/72/33/13/1169723313.db2.gz MSHIUFGGFXGKJM-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001329334814 955829002 /nfs/dbraw/zinc/82/90/02/955829002.db2.gz CVAGVLDWALEXFM-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317384282 956242124 /nfs/dbraw/zinc/24/21/24/956242124.db2.gz VEJKUAGOURHAJU-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494078198 972172524 /nfs/dbraw/zinc/17/25/24/972172524.db2.gz GZKLBJSAIIMDDM-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494078198 972172530 /nfs/dbraw/zinc/17/25/30/972172530.db2.gz GZKLBJSAIIMDDM-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494078198 972172533 /nfs/dbraw/zinc/17/25/33/972172533.db2.gz GZKLBJSAIIMDDM-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001317487335 956683966 /nfs/dbraw/zinc/68/39/66/956683966.db2.gz LAONMIWLLIHTKV-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001330898043 956692539 /nfs/dbraw/zinc/69/25/39/956692539.db2.gz FEPPWHHHZIHRDT-PMPSAXMXSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001316804278 957031392 /nfs/dbraw/zinc/03/13/92/957031392.db2.gz DTWPPHQMYDSHGG-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001316935133 957134707 /nfs/dbraw/zinc/13/47/07/957134707.db2.gz FWNDGRGNWNAWSA-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001316943238 957141070 /nfs/dbraw/zinc/14/10/70/957141070.db2.gz FACUQQHAGZFCRM-HUUCEWRRSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001317034232 957217684 /nfs/dbraw/zinc/21/76/84/957217684.db2.gz LPYCVFMJBRTICO-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317330197 957425135 /nfs/dbraw/zinc/42/51/35/957425135.db2.gz KHFSDIBBDMISBJ-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317509066 957517823 /nfs/dbraw/zinc/51/78/23/957517823.db2.gz LTZQZBCRBFRKKD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317533715 957534470 /nfs/dbraw/zinc/53/44/70/957534470.db2.gz WWLFOHYLTZUVHL-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317533715 957534464 /nfs/dbraw/zinc/53/44/64/957534464.db2.gz WWLFOHYLTZUVHL-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317533715 957534474 /nfs/dbraw/zinc/53/44/74/957534474.db2.gz WWLFOHYLTZUVHL-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318060008 957890532 /nfs/dbraw/zinc/89/05/32/957890532.db2.gz ASFJONSFRZMTPW-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318060008 957890539 /nfs/dbraw/zinc/89/05/39/957890539.db2.gz ASFJONSFRZMTPW-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001318976948 958326064 /nfs/dbraw/zinc/32/60/64/958326064.db2.gz SOECFBCJMXYFTP-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001494985747 972364879 /nfs/dbraw/zinc/36/48/79/972364879.db2.gz BMNIUVMFVAVZBI-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001494999113 972368348 /nfs/dbraw/zinc/36/83/48/972368348.db2.gz GQRBGTNRVGDRPI-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001320564799 959244005 /nfs/dbraw/zinc/24/40/05/959244005.db2.gz UMUVDTMQOWDBBA-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001322305599 960176290 /nfs/dbraw/zinc/17/62/90/960176290.db2.gz FPAULZLEQMLUNM-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC001441900254 964775804 /nfs/dbraw/zinc/77/58/04/964775804.db2.gz ZZJDWKLRBLWSEE-NSHDSACASA-N 2 1 264.373 1.062 10 30 CDEEMP C#CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569478669 1169892329 /nfs/dbraw/zinc/89/23/29/1169892329.db2.gz MDYVQYKTRNACQQ-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001467728546 970095733 /nfs/dbraw/zinc/09/57/33/970095733.db2.gz KVKAGJYJDPBVFP-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001467728546 970095743 /nfs/dbraw/zinc/09/57/43/970095743.db2.gz KVKAGJYJDPBVFP-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001467728546 970095750 /nfs/dbraw/zinc/09/57/50/970095750.db2.gz KVKAGJYJDPBVFP-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001371618043 972567637 /nfs/dbraw/zinc/56/76/37/972567637.db2.gz QXUSDNHHCHAKEZ-TZMCWYRMSA-N 2 1 299.846 1.519 10 30 CDEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001569652954 1169953810 /nfs/dbraw/zinc/95/38/10/1169953810.db2.gz CBKZVBZUDILLLD-GDBMZVCRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652954 1169953816 /nfs/dbraw/zinc/95/38/16/1169953816.db2.gz CBKZVBZUDILLLD-GDBMZVCRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652954 1169953818 /nfs/dbraw/zinc/95/38/18/1169953818.db2.gz CBKZVBZUDILLLD-GDBMZVCRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001418114247 973594144 /nfs/dbraw/zinc/59/41/44/973594144.db2.gz RXPIYENGPMSOBW-TXEJJXNPSA-N 2 1 273.808 1.316 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498636374 974005929 /nfs/dbraw/zinc/00/59/29/974005929.db2.gz BYNRDTOXTPVQNR-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001499067588 974177585 /nfs/dbraw/zinc/17/75/85/974177585.db2.gz XOGLEVHAMDFDSN-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001499067588 974177586 /nfs/dbraw/zinc/17/75/86/974177586.db2.gz XOGLEVHAMDFDSN-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001505980762 975070287 /nfs/dbraw/zinc/07/02/87/975070287.db2.gz JKMPPQBNMIIQSO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001505980762 975070291 /nfs/dbraw/zinc/07/02/91/975070291.db2.gz JKMPPQBNMIIQSO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001505980762 975070293 /nfs/dbraw/zinc/07/02/93/975070293.db2.gz JKMPPQBNMIIQSO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001506659959 975199025 /nfs/dbraw/zinc/19/90/25/975199025.db2.gz MBIMGTRDDUOZPZ-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=C)C)C1 ZINC001506886305 975245897 /nfs/dbraw/zinc/24/58/97/975245897.db2.gz IJLIPJSAKPNCJD-JYJNAYRXSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=C)C)C1 ZINC001506886305 975245900 /nfs/dbraw/zinc/24/59/00/975245900.db2.gz IJLIPJSAKPNCJD-JYJNAYRXSA-N 2 1 289.423 1.145 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507398295 975451466 /nfs/dbraw/zinc/45/14/66/975451466.db2.gz ISOVOJGKZPEEPE-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001507964237 975571523 /nfs/dbraw/zinc/57/15/23/975571523.db2.gz ZCXUNZLADOXVPE-HUUCEWRRSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001380262113 976318814 /nfs/dbraw/zinc/31/88/14/976318814.db2.gz FFQCRGMMDDEHAQ-MGPQQGTHSA-N 2 1 299.846 1.660 10 30 CDEEMP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001675318398 1174101645 /nfs/dbraw/zinc/10/16/45/1174101645.db2.gz ZWMCZOPVFBKXNB-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001675909444 1174164362 /nfs/dbraw/zinc/16/43/62/1174164362.db2.gz IWWIIYPDXBQEID-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569990897 1170055087 /nfs/dbraw/zinc/05/50/87/1170055087.db2.gz YXGRHPQWWFTQIA-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001570215756 1170113636 /nfs/dbraw/zinc/11/36/36/1170113636.db2.gz MNSJXBMRCLKVIB-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001570215756 1170113638 /nfs/dbraw/zinc/11/36/38/1170113638.db2.gz MNSJXBMRCLKVIB-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001570215756 1170113640 /nfs/dbraw/zinc/11/36/40/1170113640.db2.gz MNSJXBMRCLKVIB-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001571333335 1170369631 /nfs/dbraw/zinc/36/96/31/1170369631.db2.gz NDARTMAVTPSNNF-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488712 1170438688 /nfs/dbraw/zinc/43/86/88/1170438688.db2.gz GZNDVTSYJBYOGY-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001571493992 1170453752 /nfs/dbraw/zinc/45/37/52/1170453752.db2.gz YDBQHEPCGTWFLD-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001656957440 1171905791 /nfs/dbraw/zinc/90/57/91/1171905791.db2.gz PYXONMZSRMDBBO-KFWWJZLASA-N 2 1 299.434 1.821 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437102 342898546 /nfs/dbraw/zinc/89/85/46/342898546.db2.gz IAIREWQEHGMXQE-UONOGXRCSA-N 2 1 280.416 1.340 10 30 CDEEMP N#CC1(c2ccc(C[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000594925667 342973300 /nfs/dbraw/zinc/97/33/00/342973300.db2.gz MERFABSFQHVTEX-QGZVFWFLSA-N 2 1 299.418 1.788 10 30 CDEEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000595935503 343201470 /nfs/dbraw/zinc/20/14/70/343201470.db2.gz DVJIEOGTGQNODT-KBPBESRZSA-N 2 1 294.443 1.634 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001660194078 1172172834 /nfs/dbraw/zinc/17/28/34/1172172834.db2.gz CGJALJHLQNUQMR-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001660194078 1172172839 /nfs/dbraw/zinc/17/28/39/1172172839.db2.gz CGJALJHLQNUQMR-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001660194078 1172172844 /nfs/dbraw/zinc/17/28/44/1172172844.db2.gz CGJALJHLQNUQMR-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261939745 359097478 /nfs/dbraw/zinc/09/74/78/359097478.db2.gz MPWPLEPQQFRHED-ZACQAIPSSA-N 2 1 293.455 1.384 10 30 CDEEMP Cn1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000300075868 359581456 /nfs/dbraw/zinc/58/14/56/359581456.db2.gz LONKMPDBPXRIDZ-KGLIPLIRSA-N 2 1 258.369 1.613 10 30 CDEEMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000300075868 359581462 /nfs/dbraw/zinc/58/14/62/359581462.db2.gz LONKMPDBPXRIDZ-KGLIPLIRSA-N 2 1 258.369 1.613 10 30 CDEEMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000300075868 359581468 /nfs/dbraw/zinc/58/14/68/359581468.db2.gz LONKMPDBPXRIDZ-KGLIPLIRSA-N 2 1 258.369 1.613 10 30 CDEEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CCN1C ZINC000092799318 378002704 /nfs/dbraw/zinc/00/27/04/378002704.db2.gz UHGVQDMGUGZIPT-UONOGXRCSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@@H+]1C ZINC000092799318 378002707 /nfs/dbraw/zinc/00/27/07/378002707.db2.gz UHGVQDMGUGZIPT-UONOGXRCSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)N(C)CCC#N)CC[N@H+]1C ZINC000092799318 378002709 /nfs/dbraw/zinc/00/27/09/378002709.db2.gz UHGVQDMGUGZIPT-UONOGXRCSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1C ZINC000092799318 378002712 /nfs/dbraw/zinc/00/27/12/378002712.db2.gz UHGVQDMGUGZIPT-UONOGXRCSA-N 2 1 280.416 1.163 10 30 CDEEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)N(C)CCC#N)CC[NH+]1C ZINC000092799318 378002714 /nfs/dbraw/zinc/00/27/14/378002714.db2.gz UHGVQDMGUGZIPT-UONOGXRCSA-N 2 1 280.416 1.163 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)nn1 ZINC000655936782 412944274 /nfs/dbraw/zinc/94/42/74/412944274.db2.gz OVJRQCLPNDNHNL-LBPRGKRZSA-N 2 1 263.389 1.413 10 30 CDEEMP C=CCCn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000655941419 412953116 /nfs/dbraw/zinc/95/31/16/412953116.db2.gz TWJNXEHGQIVXNK-OKILXGFUSA-N 2 1 275.400 1.286 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001662856466 1172605875 /nfs/dbraw/zinc/60/58/75/1172605875.db2.gz ONWGHTRSKLKHTJ-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC(C[NH2+]C)CC2)nn1 ZINC000655938273 412956480 /nfs/dbraw/zinc/95/64/80/412956480.db2.gz QOWBVJVYFVUENX-UHFFFAOYSA-N 2 1 263.389 1.286 10 30 CDEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCC#N)C[C@@H]1C ZINC000339009745 391241054 /nfs/dbraw/zinc/24/10/54/391241054.db2.gz ICNYDYKSNPHLKS-UONOGXRCSA-N 2 1 253.390 1.721 10 30 CDEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCC#N)C[C@@H]1C ZINC000339009745 391241057 /nfs/dbraw/zinc/24/10/57/391241057.db2.gz ICNYDYKSNPHLKS-UONOGXRCSA-N 2 1 253.390 1.721 10 30 CDEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCC#N)C[C@@H]1C ZINC000339009745 391241059 /nfs/dbraw/zinc/24/10/59/391241059.db2.gz ICNYDYKSNPHLKS-UONOGXRCSA-N 2 1 253.390 1.721 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000662754154 413433973 /nfs/dbraw/zinc/43/39/73/413433973.db2.gz FQBPSMRDGABJIY-IVMMDQJWSA-N 2 1 277.412 1.284 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000249446306 261253166 /nfs/dbraw/zinc/25/31/66/261253166.db2.gz LDLVWLBCEZCYDS-QWHCGFSZSA-N 2 1 282.432 1.333 10 30 CDEEMP C(#CC[N@H+]1CCCSCC1)C[NH+]1CCCSCC1 ZINC000341923137 263366582 /nfs/dbraw/zinc/36/65/82/263366582.db2.gz OQTASXSICFNLMY-UHFFFAOYSA-N 2 1 284.494 1.868 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001666991257 1173217941 /nfs/dbraw/zinc/21/79/41/1173217941.db2.gz AKTOWSDCSKZCEH-CQSZACIVSA-N 2 1 281.444 1.424 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682233 424310475 /nfs/dbraw/zinc/31/04/75/424310475.db2.gz OXSRYXBJNPTEFX-BBRMVZONSA-N 2 1 277.412 1.285 10 30 CDEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001667410063 1173264331 /nfs/dbraw/zinc/26/43/31/1173264331.db2.gz FEFYVTXSZULFDZ-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001667410063 1173264340 /nfs/dbraw/zinc/26/43/40/1173264340.db2.gz FEFYVTXSZULFDZ-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001667410063 1173264344 /nfs/dbraw/zinc/26/43/44/1173264344.db2.gz FEFYVTXSZULFDZ-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001668477343 1173417201 /nfs/dbraw/zinc/41/72/01/1173417201.db2.gz ALSWZRHNOMOMPI-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001267054913 1159101406 /nfs/dbraw/zinc/10/14/06/1159101406.db2.gz HLURDGCBMKEVOC-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001690574545 1175509286 /nfs/dbraw/zinc/50/92/86/1175509286.db2.gz CKYCWCVDJYQWBQ-CHWSQXEVSA-N 2 1 253.390 1.140 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262476439 330016100 /nfs/dbraw/zinc/01/61/00/330016100.db2.gz QHKZFGCMXDBSFP-GJZGRUSLSA-N 2 1 296.459 1.532 10 30 CDEEMP C[NH+]=C(NCC1CCC1)NC[C@@]1([NH+](C)C)CCSC1 ZINC000262796522 330032096 /nfs/dbraw/zinc/03/20/96/330032096.db2.gz PNIMPCHKVUDYKC-AWEZNQCLSA-N 2 1 284.473 1.389 10 30 CDEEMP C[NH+]=C(NC1CCC1)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000262796622 330032239 /nfs/dbraw/zinc/03/22/39/330032239.db2.gz PSUHTWCFFPQSAG-AGUYFDCRSA-N 2 1 264.417 1.719 10 30 CDEEMP C=CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001699021133 1159206723 /nfs/dbraw/zinc/20/67/23/1159206723.db2.gz RASBNIJXZNEJSP-LSDHHAIUSA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001699021133 1159206729 /nfs/dbraw/zinc/20/67/29/1159206729.db2.gz RASBNIJXZNEJSP-LSDHHAIUSA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001699021133 1159206733 /nfs/dbraw/zinc/20/67/33/1159206733.db2.gz RASBNIJXZNEJSP-LSDHHAIUSA-N 2 1 279.428 1.435 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001714600508 1179256378 /nfs/dbraw/zinc/25/63/78/1179256378.db2.gz VIMPJMKORVVKST-UHFFFAOYSA-N 2 1 279.428 1.324 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001715492582 1179682060 /nfs/dbraw/zinc/68/20/60/1179682060.db2.gz QQPLEXUIGPKUSD-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC#CC[NH+](C)C)C[C@@H]1C ZINC001684869868 1174663701 /nfs/dbraw/zinc/66/37/01/1174663701.db2.gz QNOVIXYAHRUVAF-LSDHHAIUSA-N 2 1 294.443 1.066 10 30 CDEEMP COCC#CCN1CCC[C@@H]([N@@H+](C)CC#CCOC)CC1 ZINC000677819745 617422241 /nfs/dbraw/zinc/42/22/41/617422241.db2.gz OUFPQXFSZDVWTE-QGZVFWFLSA-N 2 1 292.423 1.072 10 30 CDEEMP C=CCNC(NC[C@@H]1CCC[N@@H+]1C)=[NH+]C(C)(C)C ZINC000912497341 630057957 /nfs/dbraw/zinc/05/79/57/630057957.db2.gz RFKFHMKYUVYALB-LBPRGKRZSA-N 2 1 252.406 1.600 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001670556411 1158644585 /nfs/dbraw/zinc/64/45/85/1158644585.db2.gz LFNVHRWETQYBSL-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691059378 1158856876 /nfs/dbraw/zinc/85/68/76/1158856876.db2.gz VREZLNUYZCXCQZ-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691059378 1158856887 /nfs/dbraw/zinc/85/68/87/1158856887.db2.gz VREZLNUYZCXCQZ-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCS[C@H](CC)C1 ZINC000124788333 692826976 /nfs/dbraw/zinc/82/69/76/692826976.db2.gz ZYXKWOFIQUEKHT-UONOGXRCSA-N 2 1 298.500 1.874 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923450949 692966645 /nfs/dbraw/zinc/96/66/45/692966645.db2.gz IUOBVDTVQYMLDF-OAHLLOKOSA-N 2 1 286.379 1.283 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCCCO1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000262004624 693150629 /nfs/dbraw/zinc/15/06/29/693150629.db2.gz VIAPSDYRXJXXOX-QLFBSQMISA-N 2 1 296.459 1.449 10 30 CDEEMP C[NH+]=C(NCc1ccccn1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000262025169 693265963 /nfs/dbraw/zinc/26/59/63/693265963.db2.gz ZORCBQAGJJAANJ-DZGCQCFKSA-N 2 1 289.427 1.475 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001691180457 1158947674 /nfs/dbraw/zinc/94/76/74/1158947674.db2.gz CONPBCINYCRWSC-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268738041 1160009881 /nfs/dbraw/zinc/00/98/81/1160009881.db2.gz NFOXUGGWBCGCGA-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001691622879 1160721187 /nfs/dbraw/zinc/72/11/87/1160721187.db2.gz CPUQKNJCKTZJMY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC001630637362 1166220284 /nfs/dbraw/zinc/22/02/84/1166220284.db2.gz ZFWXELFAHYBEKN-HNNXBMFYSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001568339426 1169255422 /nfs/dbraw/zinc/25/54/22/1169255422.db2.gz UHCZGNUUAIJHBW-AWEZNQCLSA-N 2 1 278.400 1.498 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568969957 1169568250 /nfs/dbraw/zinc/56/82/50/1169568250.db2.gz RIZSJEZBMHECNW-GXMNPTEKSA-N 2 1 299.846 1.875 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001569987196 1170054032 /nfs/dbraw/zinc/05/40/32/1170054032.db2.gz OFBSXAWBSFZOJM-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570908354 1170317318 /nfs/dbraw/zinc/31/73/18/1170317318.db2.gz ZMGWLQXZXCDQHL-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001656960722 1171905238 /nfs/dbraw/zinc/90/52/38/1171905238.db2.gz RSMFMGDCUYWVPE-OLZOCXBDSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019203 1174059927 /nfs/dbraw/zinc/05/99/27/1174059927.db2.gz APJXSOHUBBGSNM-CYBMUJFWSA-N 2 1 299.378 1.503 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001675019203 1174059936 /nfs/dbraw/zinc/05/99/36/1174059936.db2.gz APJXSOHUBBGSNM-CYBMUJFWSA-N 2 1 299.378 1.503 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001690340726 1175443256 /nfs/dbraw/zinc/44/32/56/1175443256.db2.gz BASAHRUIQCLXMV-ZNMIVQPWSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CCC[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691951758 1175655960 /nfs/dbraw/zinc/65/59/60/1175655960.db2.gz WGIJFMGQQJUYSE-LSDHHAIUSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001692369102 1175752063 /nfs/dbraw/zinc/75/20/63/1175752063.db2.gz TWDPEFQROZSMCJ-FXUDXRNXSA-N 2 1 293.455 1.966 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001698799211 1175938332 /nfs/dbraw/zinc/93/83/32/1175938332.db2.gz NRFZAGRCNNLOJC-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001699508240 1176453843 /nfs/dbraw/zinc/45/38/43/1176453843.db2.gz ONVUHOBWIGWFTB-ZBFHGGJFSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001699724538 1176590018 /nfs/dbraw/zinc/59/00/18/1176590018.db2.gz MQFWZFLNWFZKGH-KGLIPLIRSA-N 2 1 279.428 1.435 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001700019351 1176720512 /nfs/dbraw/zinc/72/05/12/1176720512.db2.gz ICFMDCHRODYXDU-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001700621483 1177038668 /nfs/dbraw/zinc/03/86/68/1177038668.db2.gz YBGOVEXLRBLZKQ-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700621483 1177038677 /nfs/dbraw/zinc/03/86/77/1177038677.db2.gz YBGOVEXLRBLZKQ-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001700621483 1177038686 /nfs/dbraw/zinc/03/86/86/1177038686.db2.gz YBGOVEXLRBLZKQ-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001707259245 1177982439 /nfs/dbraw/zinc/98/24/39/1177982439.db2.gz WZHHSNKQXQLLRZ-OLZOCXBDSA-N 2 1 265.401 1.093 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713411631 1178544855 /nfs/dbraw/zinc/54/48/55/1178544855.db2.gz MHFLLPCFHHBMIW-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001713517328 1178620455 /nfs/dbraw/zinc/62/04/55/1178620455.db2.gz HWOGVJHGWMLTTB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001713534420 1178631827 /nfs/dbraw/zinc/63/18/27/1178631827.db2.gz PISYIIULUGGODN-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001713534420 1178631831 /nfs/dbraw/zinc/63/18/31/1178631831.db2.gz PISYIIULUGGODN-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001713870764 1178804536 /nfs/dbraw/zinc/80/45/36/1178804536.db2.gz DCMQZKJLRNOIHE-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001713870764 1178804543 /nfs/dbraw/zinc/80/45/43/1178804543.db2.gz DCMQZKJLRNOIHE-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714016490 1178928088 /nfs/dbraw/zinc/92/80/88/1178928088.db2.gz PVNMLROBGBNIKV-KFWWJZLASA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714106427 1178976152 /nfs/dbraw/zinc/97/61/52/1178976152.db2.gz LZAGKPUEWOEEOZ-CJNGLKHVSA-N 2 1 299.434 1.869 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714384965 1179116104 /nfs/dbraw/zinc/11/61/04/1179116104.db2.gz KCUWZHNLOWQKSP-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001714731204 1179364741 /nfs/dbraw/zinc/36/47/41/1179364741.db2.gz SDHKYPQLFUKKOU-TZMCWYRMSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001714861168 1179424421 /nfs/dbraw/zinc/42/44/21/1179424421.db2.gz IWGYXKRSROOWNJ-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001714901958 1179445434 /nfs/dbraw/zinc/44/54/34/1179445434.db2.gz CAHQQJRICLLMDD-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001714901958 1179445438 /nfs/dbraw/zinc/44/54/38/1179445438.db2.gz CAHQQJRICLLMDD-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001714901958 1179445442 /nfs/dbraw/zinc/44/54/42/1179445442.db2.gz CAHQQJRICLLMDD-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)C[NH+]1CC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001714983354 1179490604 /nfs/dbraw/zinc/49/06/04/1179490604.db2.gz XSMXJLFAMGOWGF-OKILXGFUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@@H+]1C ZINC001714986233 1179492043 /nfs/dbraw/zinc/49/20/43/1179492043.db2.gz DPXVTQCPCGXMSX-KKUMJFAQSA-N 2 1 277.412 1.332 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001714986233 1179492045 /nfs/dbraw/zinc/49/20/45/1179492045.db2.gz DPXVTQCPCGXMSX-KKUMJFAQSA-N 2 1 277.412 1.332 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C ZINC001714986233 1179492049 /nfs/dbraw/zinc/49/20/49/1179492049.db2.gz DPXVTQCPCGXMSX-KKUMJFAQSA-N 2 1 277.412 1.332 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001715045834 1179526447 /nfs/dbraw/zinc/52/64/47/1179526447.db2.gz LFMYUQUWVXCSLB-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001715045834 1179526452 /nfs/dbraw/zinc/52/64/52/1179526452.db2.gz LFMYUQUWVXCSLB-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001715087657 1179546654 /nfs/dbraw/zinc/54/66/54/1179546654.db2.gz PUGMTTSPBIGYMI-HOTGVXAUSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001715184450 1179572016 /nfs/dbraw/zinc/57/20/16/1179572016.db2.gz VFKWVOLFWXUWMC-KLHDSHLOSA-N 2 1 291.439 1.367 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001715357546 1179640599 /nfs/dbraw/zinc/64/05/99/1179640599.db2.gz QBKIIHGURVQKRP-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001715400489 1179656891 /nfs/dbraw/zinc/65/68/91/1179656891.db2.gz USYAMHGLNXRIHO-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001715500153 1179684968 /nfs/dbraw/zinc/68/49/68/1179684968.db2.gz YDBIOMCZSMFUCZ-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001715521748 1179697656 /nfs/dbraw/zinc/69/76/56/1179697656.db2.gz XLFOHDUTLFGSLM-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715521748 1179697660 /nfs/dbraw/zinc/69/76/60/1179697660.db2.gz XLFOHDUTLFGSLM-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001715521748 1179697663 /nfs/dbraw/zinc/69/76/63/1179697663.db2.gz XLFOHDUTLFGSLM-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715835121 1179859680 /nfs/dbraw/zinc/85/96/80/1179859680.db2.gz NNPZAPODFWIAOD-MVGZEHJDSA-N 2 1 279.428 1.699 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001716497612 1180253874 /nfs/dbraw/zinc/25/38/74/1180253874.db2.gz MQZHAZHMCQRIQI-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716497612 1180253875 /nfs/dbraw/zinc/25/38/75/1180253875.db2.gz MQZHAZHMCQRIQI-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001716497612 1180253876 /nfs/dbraw/zinc/25/38/76/1180253876.db2.gz MQZHAZHMCQRIQI-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001716522186 1180265374 /nfs/dbraw/zinc/26/53/74/1180265374.db2.gz MYQUKLUPECMCBQ-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001716661673 1180346894 /nfs/dbraw/zinc/34/68/94/1180346894.db2.gz RICPOSRWCIVCME-HNNXBMFYSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716901663 1180459076 /nfs/dbraw/zinc/45/90/76/1180459076.db2.gz NDZMOYBCZVLKFZ-GDBMZVCRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001716901663 1180459079 /nfs/dbraw/zinc/45/90/79/1180459079.db2.gz NDZMOYBCZVLKFZ-GDBMZVCRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001716901663 1180459081 /nfs/dbraw/zinc/45/90/81/1180459081.db2.gz NDZMOYBCZVLKFZ-GDBMZVCRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001717373723 1180635019 /nfs/dbraw/zinc/63/50/19/1180635019.db2.gz ORDKYEQISYECPQ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001717373723 1180635021 /nfs/dbraw/zinc/63/50/21/1180635021.db2.gz ORDKYEQISYECPQ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001717412676 1180659832 /nfs/dbraw/zinc/65/98/32/1180659832.db2.gz JSRDNIFUCSPYGM-MNOVXSKESA-N 2 1 250.346 1.011 10 30 CDEEMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001717530717 1180724585 /nfs/dbraw/zinc/72/45/85/1180724585.db2.gz WCDWXFNOULDHNX-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001717561799 1180741920 /nfs/dbraw/zinc/74/19/20/1180741920.db2.gz SVAGBHNHQBYDLP-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001717745146 1180823587 /nfs/dbraw/zinc/82/35/87/1180823587.db2.gz PRRLZYFARLPECK-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001717861252 1180897069 /nfs/dbraw/zinc/89/70/69/1180897069.db2.gz VMSBZDKXTVSGGI-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717861252 1180897074 /nfs/dbraw/zinc/89/70/74/1180897074.db2.gz VMSBZDKXTVSGGI-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717861252 1180897079 /nfs/dbraw/zinc/89/70/79/1180897079.db2.gz VMSBZDKXTVSGGI-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001717998545 1180964198 /nfs/dbraw/zinc/96/41/98/1180964198.db2.gz DRGFSZOZSPKOOQ-UHFFFAOYSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001722915898 1181493896 /nfs/dbraw/zinc/49/38/96/1181493896.db2.gz JDUWIOBGNNHFHD-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001722915898 1181493900 /nfs/dbraw/zinc/49/39/00/1181493900.db2.gz JDUWIOBGNNHFHD-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001722915898 1181493905 /nfs/dbraw/zinc/49/39/05/1181493905.db2.gz JDUWIOBGNNHFHD-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001723875029 1181614261 /nfs/dbraw/zinc/61/42/61/1181614261.db2.gz KNNHSLNFKRIEPY-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001724221665 1181655968 /nfs/dbraw/zinc/65/59/68/1181655968.db2.gz AWRSKIMAFCKJHZ-QGZVFWFLSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001725042105 1181833211 /nfs/dbraw/zinc/83/32/11/1181833211.db2.gz QINSJVCXRKTQAX-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001725042105 1181833215 /nfs/dbraw/zinc/83/32/15/1181833215.db2.gz QINSJVCXRKTQAX-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001725042105 1181833220 /nfs/dbraw/zinc/83/32/20/1181833220.db2.gz QINSJVCXRKTQAX-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001725167799 1181899844 /nfs/dbraw/zinc/89/98/44/1181899844.db2.gz ZTJKFLSRBBSMCB-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP 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C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265452620 944393006 /nfs/dbraw/zinc/39/30/06/944393006.db2.gz NBAPKVZAFDMGHF-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001265553761 944428154 /nfs/dbraw/zinc/42/81/54/944428154.db2.gz BIAODSHBIHDMPO-YHUYYLMFSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001265783752 944508175 /nfs/dbraw/zinc/50/81/75/944508175.db2.gz PVLWSSWVAOKOFV-DZGCQCFKSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116342 944690765 /nfs/dbraw/zinc/69/07/65/944690765.db2.gz JQCSQSLXMGXKAI-JKSUJKDBSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001279236386 944786625 /nfs/dbraw/zinc/78/66/25/944786625.db2.gz DZFRCSWWFKTSEQ-MUJYYYPQSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)CCC)C2 ZINC001279236386 944786632 /nfs/dbraw/zinc/78/66/32/944786632.db2.gz DZFRCSWWFKTSEQ-MUJYYYPQSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001480157680 971606988 /nfs/dbraw/zinc/60/69/88/971606988.db2.gz BAVOVFDWSFLDRW-HDJSIYSDSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001480173289 971612684 /nfs/dbraw/zinc/61/26/84/971612684.db2.gz DJYBYKQSGKGCKC-ULQDDVLXSA-N 2 1 299.418 1.549 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480387274 971697399 /nfs/dbraw/zinc/69/73/99/971697399.db2.gz QGDLXDLKLZPRNM-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001480410507 971706977 /nfs/dbraw/zinc/70/69/77/971706977.db2.gz LVHSETSVFKHLTQ-QQFBHYJXSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278678088 951609493 /nfs/dbraw/zinc/60/94/93/951609493.db2.gz NJCLPTXDMAPIPY-KRWDZBQOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001480591790 971798624 /nfs/dbraw/zinc/79/86/24/971798624.db2.gz OUYYOVRQAZNOOY-STQMWFEESA-N 2 1 278.400 1.641 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001324832854 953600582 /nfs/dbraw/zinc/60/05/82/953600582.db2.gz JZGQGHVSKFFENN-MRXNPFEDSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001325454316 953910404 /nfs/dbraw/zinc/91/04/04/953910404.db2.gz FCFJWFBBVDYXMO-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001493231573 971991336 /nfs/dbraw/zinc/99/13/36/971991336.db2.gz XQEIAQROGVNSCC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001326522519 954417706 /nfs/dbraw/zinc/41/77/06/954417706.db2.gz WLKAVGJQMYSGBL-KLHDSHLOSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001316660928 954923537 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C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001329460656 955928468 /nfs/dbraw/zinc/92/84/68/955928468.db2.gz RFVDVDIPCPLBLN-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001329460656 955928470 /nfs/dbraw/zinc/92/84/70/955928470.db2.gz RFVDVDIPCPLBLN-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001329473309 955936333 /nfs/dbraw/zinc/93/63/33/955936333.db2.gz YDTMAGJSTYHDLE-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001329473309 955936342 /nfs/dbraw/zinc/93/63/42/955936342.db2.gz YDTMAGJSTYHDLE-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001329473309 955936350 /nfs/dbraw/zinc/93/63/50/955936350.db2.gz YDTMAGJSTYHDLE-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001331327345 956972277 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C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001317950281 957830096 /nfs/dbraw/zinc/83/00/96/957830096.db2.gz SASYUKOABIGLQO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001317950281 957830107 /nfs/dbraw/zinc/83/01/07/957830107.db2.gz SASYUKOABIGLQO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+]1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001318127844 957934316 /nfs/dbraw/zinc/93/43/16/957934316.db2.gz CVRBLRCMMBPFNW-UHFFFAOYSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001332972399 957984853 /nfs/dbraw/zinc/98/48/53/957984853.db2.gz KYMJPXKCFFPXGU-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001318976949 958326407 /nfs/dbraw/zinc/32/64/07/958326407.db2.gz SOECFBCJMXYFTP-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320548172 959233507 /nfs/dbraw/zinc/23/35/07/959233507.db2.gz JPANIHGVKFFCJP-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001320752279 959368425 /nfs/dbraw/zinc/36/84/25/959368425.db2.gz JMQKHOMMXSFENF-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(Cl)CNCCN(CC)C(=O)CCn1ccnc1 ZINC001320809972 959402421 /nfs/dbraw/zinc/40/24/21/959402421.db2.gz NTGAOANIFJHHKX-UHFFFAOYSA-N 2 1 284.791 1.464 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321878952 960000414 /nfs/dbraw/zinc/00/04/14/960000414.db2.gz VXEZLMBURROSBJ-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322197103 960129992 /nfs/dbraw/zinc/12/99/92/960129992.db2.gz QMMUABXNSDUTDF-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)CCC[NH2+]1 ZINC001356412460 969392119 /nfs/dbraw/zinc/39/21/19/969392119.db2.gz JRAOIAPEUSDFFN-HLPPOEQASA-N 2 1 277.412 1.141 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)CCC[NH2+]1 ZINC001356412458 969392288 /nfs/dbraw/zinc/39/22/88/969392288.db2.gz JRAOIAPEUSDFFN-DSJMHWKBSA-N 2 1 277.412 1.141 10 30 CDEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001569652955 1169952779 /nfs/dbraw/zinc/95/27/79/1169952779.db2.gz CBKZVBZUDILLLD-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652955 1169952782 /nfs/dbraw/zinc/95/27/82/1169952782.db2.gz CBKZVBZUDILLLD-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652955 1169952790 /nfs/dbraw/zinc/95/27/90/1169952790.db2.gz CBKZVBZUDILLLD-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001496264944 972863204 /nfs/dbraw/zinc/86/32/04/972863204.db2.gz XUSNRLIAUYQNRK-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001496264944 972863215 /nfs/dbraw/zinc/86/32/15/972863215.db2.gz XUSNRLIAUYQNRK-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496297923 972878252 /nfs/dbraw/zinc/87/82/52/972878252.db2.gz XXTZLLJKGQNPFZ-UONOGXRCSA-N 2 1 267.417 1.245 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001497728684 973480391 /nfs/dbraw/zinc/48/03/91/973480391.db2.gz BVNVMJWLCGMAIW-FVNWOWOISA-N 2 1 299.418 1.575 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001497910786 973574149 /nfs/dbraw/zinc/57/41/49/973574149.db2.gz QAAKXGNFHKJEPA-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CCC1 ZINC001501999981 974672465 /nfs/dbraw/zinc/67/24/65/974672465.db2.gz PBCLHWOOMANFMT-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC001505432445 974876524 /nfs/dbraw/zinc/87/65/24/974876524.db2.gz LSEBQIYQRBYJPV-CQSZACIVSA-N 2 1 276.384 1.451 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C1 ZINC001506859388 975237481 /nfs/dbraw/zinc/23/74/81/975237481.db2.gz UMNQLHPACPNAQA-XHSDSOJGSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001506960939 975276841 /nfs/dbraw/zinc/27/68/41/975276841.db2.gz GJQHBXLVXITRKW-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001674411323 1173939987 /nfs/dbraw/zinc/93/99/87/1173939987.db2.gz XYOBMRAANQVEAN-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570543316 1170184799 /nfs/dbraw/zinc/18/47/99/1170184799.db2.gz GFBJBPDRIDPEIW-LSDHHAIUSA-N 2 1 281.444 1.681 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001570715920 1170250797 /nfs/dbraw/zinc/25/07/97/1170250797.db2.gz JVPWCWUYZNOYEB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570715920 1170250804 /nfs/dbraw/zinc/25/08/04/1170250804.db2.gz JVPWCWUYZNOYEB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570715920 1170250808 /nfs/dbraw/zinc/25/08/08/1170250808.db2.gz JVPWCWUYZNOYEB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001571697022 1170527971 /nfs/dbraw/zinc/52/79/71/1170527971.db2.gz MYPIJOGHRCLKGU-UHFFFAOYSA-N 2 1 289.423 1.100 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001656102771 1171767272 /nfs/dbraw/zinc/76/72/72/1171767272.db2.gz QIHABBMMLNDYFJ-QWHCGFSZSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001656102771 1171767281 /nfs/dbraw/zinc/76/72/81/1171767281.db2.gz QIHABBMMLNDYFJ-QWHCGFSZSA-N 2 1 253.390 1.045 10 30 CDEEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300072 343998673 /nfs/dbraw/zinc/99/86/73/343998673.db2.gz MGOSJEXGNRECJE-GJZGRUSLSA-N 2 1 279.428 1.847 10 30 CDEEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300072 343998674 /nfs/dbraw/zinc/99/86/74/343998674.db2.gz MGOSJEXGNRECJE-GJZGRUSLSA-N 2 1 279.428 1.847 10 30 CDEEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CC1(C#N)CC1 ZINC000599300072 343998676 /nfs/dbraw/zinc/99/86/76/343998676.db2.gz MGOSJEXGNRECJE-GJZGRUSLSA-N 2 1 279.428 1.847 10 30 CDEEMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCCC#N)C2)CC1 ZINC000594287494 342887503 /nfs/dbraw/zinc/88/75/03/342887503.db2.gz DXSYCQLFQWMIIK-CQSZACIVSA-N 2 1 292.427 1.355 10 30 CDEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600719848 342244573 /nfs/dbraw/zinc/24/45/73/342244573.db2.gz KXNUBEIHLWUXTR-GXTWGEPZSA-N 2 1 263.385 1.115 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)cc1 ZINC000596423753 343311560 /nfs/dbraw/zinc/31/15/60/343311560.db2.gz BGFGEBGUGYVBKJ-UHFFFAOYSA-N 2 1 260.385 1.854 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1 ZINC000596423753 343311563 /nfs/dbraw/zinc/31/15/63/343311563.db2.gz BGFGEBGUGYVBKJ-UHFFFAOYSA-N 2 1 260.385 1.854 10 30 CDEEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C#N)c1 ZINC000600712799 349876917 /nfs/dbraw/zinc/87/69/17/349876917.db2.gz ZEAQLIVSKURJGI-LBPRGKRZSA-N 2 1 259.353 1.717 10 30 CDEEMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1C#N ZINC000300075867 359579528 /nfs/dbraw/zinc/57/95/28/359579528.db2.gz LONKMPDBPXRIDZ-KBPBESRZSA-N 2 1 258.369 1.613 10 30 CDEEMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1C#N ZINC000300075867 359579534 /nfs/dbraw/zinc/57/95/34/359579534.db2.gz LONKMPDBPXRIDZ-KBPBESRZSA-N 2 1 258.369 1.613 10 30 CDEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000245538836 376081472 /nfs/dbraw/zinc/08/14/72/376081472.db2.gz NHDNUUOFRNHKLM-GJZGRUSLSA-N 2 1 294.443 1.411 10 30 CDEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N(C)CCC#N)[C@@H](C)C1 ZINC000245538836 376081478 /nfs/dbraw/zinc/08/14/78/376081478.db2.gz NHDNUUOFRNHKLM-GJZGRUSLSA-N 2 1 294.443 1.411 10 30 CDEEMP CCC#C[C@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325640 412897230 /nfs/dbraw/zinc/89/72/30/412897230.db2.gz OPTVAXAVQCFQFM-GJZGRUSLSA-N 2 1 252.402 1.831 10 30 CDEEMP CCC#C[C@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325640 412897236 /nfs/dbraw/zinc/89/72/36/412897236.db2.gz OPTVAXAVQCFQFM-GJZGRUSLSA-N 2 1 252.402 1.831 10 30 CDEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001662872516 1172605509 /nfs/dbraw/zinc/60/55/09/1172605509.db2.gz NYVARLGLSRBONS-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001662899068 1172612115 /nfs/dbraw/zinc/61/21/15/1172612115.db2.gz PPBJGZYHHGGSTH-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001663447497 1172696856 /nfs/dbraw/zinc/69/68/56/1172696856.db2.gz NEDRGCXVVAVNOP-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001663447497 1172696859 /nfs/dbraw/zinc/69/68/59/1172696859.db2.gz NEDRGCXVVAVNOP-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001663447497 1172696863 /nfs/dbraw/zinc/69/68/63/1172696863.db2.gz NEDRGCXVVAVNOP-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663523162 1172716294 /nfs/dbraw/zinc/71/62/94/1172716294.db2.gz HSUCWXYBBTZHRC-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000662685431 413311492 /nfs/dbraw/zinc/31/14/92/413311492.db2.gz TUTBUKURRDCGQN-INIZCTEOSA-N 2 1 277.412 1.239 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@H+](C)CCCC)CCC[NH2+]1 ZINC000662701811 413348421 /nfs/dbraw/zinc/34/84/21/413348421.db2.gz SLLNQALCZWDPMP-HNNXBMFYSA-N 2 1 267.417 1.533 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845555 413599020 /nfs/dbraw/zinc/59/90/20/413599020.db2.gz JKNFAPMMFPPJOU-YOEHRIQHSA-N 2 1 293.455 1.921 10 30 CDEEMP C[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000044560317 175204490 /nfs/dbraw/zinc/20/44/90/175204490.db2.gz IIAMSBGXTOQVFP-HNNXBMFYSA-N 2 1 285.391 1.068 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001666655912 1173167115 /nfs/dbraw/zinc/16/71/15/1173167115.db2.gz DVKXTWPEFSTYNC-RDJZCZTQSA-N 2 1 293.455 1.780 10 30 CDEEMP C=CCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415114028 263274106 /nfs/dbraw/zinc/27/41/06/263274106.db2.gz SKFLNYHBCKWUSK-MRXNPFEDSA-N 2 1 276.380 1.801 10 30 CDEEMP C=CCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415114028 263274107 /nfs/dbraw/zinc/27/41/07/263274107.db2.gz SKFLNYHBCKWUSK-MRXNPFEDSA-N 2 1 276.380 1.801 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001667575133 1173291509 /nfs/dbraw/zinc/29/15/09/1173291509.db2.gz RIQKEJVQYKERMG-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001667575133 1173291515 /nfs/dbraw/zinc/29/15/15/1173291515.db2.gz RIQKEJVQYKERMG-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CCC ZINC001667575133 1173291519 /nfs/dbraw/zinc/29/15/19/1173291519.db2.gz RIQKEJVQYKERMG-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001667694077 1173311595 /nfs/dbraw/zinc/31/15/95/1173311595.db2.gz LOPLANZKKDGSED-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667694077 1173311603 /nfs/dbraw/zinc/31/16/03/1173311603.db2.gz LOPLANZKKDGSED-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667694077 1173311610 /nfs/dbraw/zinc/31/16/10/1173311610.db2.gz LOPLANZKKDGSED-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001671672036 1173701418 /nfs/dbraw/zinc/70/14/18/1173701418.db2.gz CZEIEIICOFOLGD-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP CC1=CC[N@H+](CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000262286997 330004243 /nfs/dbraw/zinc/00/42/43/330004243.db2.gz KJINYDHQLQIZFQ-UHFFFAOYSA-N 2 1 250.390 1.343 10 30 CDEEMP CC1=CC[N@@H+](CCNC(=[NH2+])NCC2CCC2)CC1 ZINC000262286997 330004244 /nfs/dbraw/zinc/00/42/44/330004244.db2.gz KJINYDHQLQIZFQ-UHFFFAOYSA-N 2 1 250.390 1.343 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001482115692 1159984018 /nfs/dbraw/zinc/98/40/18/1159984018.db2.gz OVBAJRXPASACIN-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001483016377 1160666249 /nfs/dbraw/zinc/66/62/49/1160666249.db2.gz COOXAOKSHLWNRV-SQRWCISFSA-N 2 1 289.423 1.289 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483260986 1160885654 /nfs/dbraw/zinc/88/56/54/1160885654.db2.gz RNLDUPVUBDLZRK-JSGCOSHPSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001483337630 1160907352 /nfs/dbraw/zinc/90/73/52/1160907352.db2.gz MVNAARJTTHETAG-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001483337630 1160907357 /nfs/dbraw/zinc/90/73/57/1160907357.db2.gz MVNAARJTTHETAG-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483337630 1160907361 /nfs/dbraw/zinc/90/73/61/1160907361.db2.gz MVNAARJTTHETAG-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940617287 613522533 /nfs/dbraw/zinc/52/25/33/613522533.db2.gz IFPPBUKEQKKOAP-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940617287 613522537 /nfs/dbraw/zinc/52/25/37/613522537.db2.gz IFPPBUKEQKKOAP-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940617287 613522540 /nfs/dbraw/zinc/52/25/40/613522540.db2.gz IFPPBUKEQKKOAP-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940621153 613746366 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CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691126848 1158923227 /nfs/dbraw/zinc/92/32/27/1158923227.db2.gz ZUVVXWBYXBSYIO-OKILXGFUSA-N 2 1 276.384 1.252 10 30 CDEEMP CC1(C)CC[NH2+]CC[N@@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000712555983 695326266 /nfs/dbraw/zinc/32/62/66/695326266.db2.gz CEJPYDYDJLVYSS-OAHLLOKOSA-N 2 1 273.380 1.666 10 30 CDEEMP CC1(C)CC[NH2+]CC[N@H+]1C[C@@H](O)c1ccc(C#N)cc1 ZINC000712555983 695326267 /nfs/dbraw/zinc/32/62/67/695326267.db2.gz CEJPYDYDJLVYSS-OAHLLOKOSA-N 2 1 273.380 1.666 10 30 CDEEMP C#C[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000847023489 695670832 /nfs/dbraw/zinc/67/08/32/695670832.db2.gz CQVLFERVYNTUHF-OAHLLOKOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000876749661 695856735 /nfs/dbraw/zinc/85/67/35/695856735.db2.gz CBCLAQPYBYXHCX-XQQFMLRXSA-N 2 1 287.835 1.835 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000923413759 695993122 /nfs/dbraw/zinc/99/31/22/695993122.db2.gz GUPVYRTVWJWCEB-IXDOHACOSA-N 2 1 285.391 1.666 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000876884201 696080622 /nfs/dbraw/zinc/08/06/22/696080622.db2.gz OHCUNWOMTHTSKS-ADEWGFFLSA-N 2 1 273.808 1.255 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001691068481 1158881343 /nfs/dbraw/zinc/88/13/43/1158881343.db2.gz NIPBLVBZLGKXLQ-HUUCEWRRSA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001691068481 1158881333 /nfs/dbraw/zinc/88/13/33/1158881333.db2.gz NIPBLVBZLGKXLQ-HUUCEWRRSA-N 2 1 281.444 1.681 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001485173825 1161272730 /nfs/dbraw/zinc/27/27/30/1161272730.db2.gz HSDOBHLTTNESLC-LSDHHAIUSA-N 2 1 293.455 1.757 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001691660921 1161441736 /nfs/dbraw/zinc/44/17/36/1161441736.db2.gz IWTYHLVPWDQPBD-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691660921 1161441737 /nfs/dbraw/zinc/44/17/37/1161441737.db2.gz IWTYHLVPWDQPBD-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691660921 1161441739 /nfs/dbraw/zinc/44/17/39/1161441739.db2.gz IWTYHLVPWDQPBD-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[N@H+](CC(=O)NC1CC[NH+](C)CC1)C1CCCCC1 ZINC000878001653 1166129380 /nfs/dbraw/zinc/12/93/80/1166129380.db2.gz XEJDPHBXGHEUAL-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001566928133 1166843990 /nfs/dbraw/zinc/84/39/90/1166843990.db2.gz ABXUKZKUSHOIJY-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001644762201 1167347199 /nfs/dbraw/zinc/34/71/99/1167347199.db2.gz VNUUODLUTOKYQJ-GJZGRUSLSA-N 2 1 298.427 1.537 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC001644762201 1167347202 /nfs/dbraw/zinc/34/72/02/1167347202.db2.gz VNUUODLUTOKYQJ-GJZGRUSLSA-N 2 1 298.427 1.537 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001565994244 1168209823 /nfs/dbraw/zinc/20/98/23/1168209823.db2.gz CIRIZZXFAFQLMO-KBMXLJTQSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001567743143 1168944940 /nfs/dbraw/zinc/94/49/40/1168944940.db2.gz VUSRRPGJYLAWLA-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001569854710 1170018247 /nfs/dbraw/zinc/01/82/47/1170018247.db2.gz FCKXJIAMKPYMMY-LSDHHAIUSA-N 2 1 279.428 1.034 10 30 CDEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001569860781 1170020298 /nfs/dbraw/zinc/02/02/98/1170020298.db2.gz ARWGHNXZNCBHKA-MUJYYYPQSA-N 2 1 289.423 1.075 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001667117971 1173236791 /nfs/dbraw/zinc/23/67/91/1173236791.db2.gz HWVHHYWICMEGDL-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(=C)C ZINC001668092594 1173367832 /nfs/dbraw/zinc/36/78/32/1173367832.db2.gz VGDYKSUQLNGTNJ-CVEARBPZSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(=C)C ZINC001668092594 1173367837 /nfs/dbraw/zinc/36/78/37/1173367837.db2.gz VGDYKSUQLNGTNJ-CVEARBPZSA-N 2 1 291.439 1.535 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001673997035 1173904500 /nfs/dbraw/zinc/90/45/00/1173904500.db2.gz IPIKDISUHHBHSW-KRWDZBQOSA-N 2 1 291.439 1.629 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001674028760 1173908610 /nfs/dbraw/zinc/90/86/10/1173908610.db2.gz KJLLVZCSNGNFSE-HUUCEWRRSA-N 2 1 293.455 1.423 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001689960444 1175323870 /nfs/dbraw/zinc/32/38/70/1175323870.db2.gz MGNVTIKYFYJWBJ-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001689960444 1175323876 /nfs/dbraw/zinc/32/38/76/1175323876.db2.gz MGNVTIKYFYJWBJ-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001689960444 1175323879 /nfs/dbraw/zinc/32/38/79/1175323879.db2.gz MGNVTIKYFYJWBJ-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001690576557 1175509645 /nfs/dbraw/zinc/50/96/45/1175509645.db2.gz DBFPOPZWGAADEN-QWHCGFSZSA-N 2 1 276.384 1.124 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001690906850 1175608053 /nfs/dbraw/zinc/60/80/53/1175608053.db2.gz DABWODYZSRSLEU-MRXNPFEDSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001691876062 1175643868 /nfs/dbraw/zinc/64/38/68/1175643868.db2.gz RSHNSQNRAISWRK-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691876062 1175643871 /nfs/dbraw/zinc/64/38/71/1175643871.db2.gz RSHNSQNRAISWRK-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001691876062 1175643873 /nfs/dbraw/zinc/64/38/73/1175643873.db2.gz RSHNSQNRAISWRK-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692169730 1175690710 /nfs/dbraw/zinc/69/07/10/1175690710.db2.gz LEAALXPLDINGMF-KFWWJZLASA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001692169730 1175690715 /nfs/dbraw/zinc/69/07/15/1175690715.db2.gz LEAALXPLDINGMF-KFWWJZLASA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001692169730 1175690721 /nfs/dbraw/zinc/69/07/21/1175690721.db2.gz LEAALXPLDINGMF-KFWWJZLASA-N 2 1 277.412 1.073 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001698769308 1175925264 /nfs/dbraw/zinc/92/52/64/1175925264.db2.gz YLRBZNUUIMHUIS-UONOGXRCSA-N 2 1 267.417 1.246 10 30 CDEEMP C=CCCC[NH+]1CCO[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001698787241 1175934088 /nfs/dbraw/zinc/93/40/88/1175934088.db2.gz CIVAWRPLAJFXTQ-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001698787241 1175934090 /nfs/dbraw/zinc/93/40/90/1175934090.db2.gz CIVAWRPLAJFXTQ-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001698787241 1175934095 /nfs/dbraw/zinc/93/40/95/1175934095.db2.gz CIVAWRPLAJFXTQ-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310483 1176212112 /nfs/dbraw/zinc/21/21/12/1176212112.db2.gz YKQHDIKAHBURNC-MWWKQMNYSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001700822083 1177150932 /nfs/dbraw/zinc/15/09/32/1177150932.db2.gz IRWSQPLTIMXUKK-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001713029903 1178314739 /nfs/dbraw/zinc/31/47/39/1178314739.db2.gz NGTIKACUEZKILI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001713029903 1178314747 /nfs/dbraw/zinc/31/47/47/1178314747.db2.gz NGTIKACUEZKILI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001713029903 1178314754 /nfs/dbraw/zinc/31/47/54/1178314754.db2.gz NGTIKACUEZKILI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001713411630 1178544144 /nfs/dbraw/zinc/54/41/44/1178544144.db2.gz MHFLLPCFHHBMIW-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001713478191 1178594956 /nfs/dbraw/zinc/59/49/56/1178594956.db2.gz RXJOSELXRATVEE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713478191 1178594958 /nfs/dbraw/zinc/59/49/58/1178594958.db2.gz RXJOSELXRATVEE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001713478191 1178594962 /nfs/dbraw/zinc/59/49/62/1178594962.db2.gz RXJOSELXRATVEE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001713488012 1178603213 /nfs/dbraw/zinc/60/32/13/1178603213.db2.gz LIULUYVJELQCNA-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713966431 1178899070 /nfs/dbraw/zinc/89/90/70/1178899070.db2.gz WJAYZXXJSINFNK-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001714043002 1178944128 /nfs/dbraw/zinc/94/41/28/1178944128.db2.gz KWTVFHCVNNKNFB-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714043002 1178944134 /nfs/dbraw/zinc/94/41/34/1178944134.db2.gz KWTVFHCVNNKNFB-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714043002 1178944137 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281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001734576083 1183831525 /nfs/dbraw/zinc/83/15/25/1183831525.db2.gz LHPSNVROVMRHSB-OLZOCXBDSA-N 2 1 267.417 1.245 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCNC(=[NH2+])NCC1CCC1 ZINC000261964119 724414295 /nfs/dbraw/zinc/41/42/95/724414295.db2.gz AJEKCNVLZDSBSI-LBPRGKRZSA-N 2 1 252.406 1.565 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967323 723713546 /nfs/dbraw/zinc/71/35/46/723713546.db2.gz FBUVVPIEUZGDBS-TZMCWYRMSA-N 2 1 299.846 1.980 10 30 CDEEMP C=CC[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000878247890 723740462 /nfs/dbraw/zinc/74/04/62/723740462.db2.gz LAHFUWRUQRUPOG-CABCVRRESA-N 2 1 251.418 1.663 10 30 CDEEMP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156688 724045604 /nfs/dbraw/zinc/04/56/04/724045604.db2.gz CJHUCFZRRIOULS-GDBMZVCRSA-N 2 1 293.455 1.908 10 30 CDEEMP C[NH+]1CCC([NH2+][C@@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000865848078 724140544 /nfs/dbraw/zinc/14/05/44/724140544.db2.gz KRDQMORZRIYNAF-MRXNPFEDSA-N 2 1 255.365 1.709 10 30 CDEEMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1C#N ZINC000723907154 723770359 /nfs/dbraw/zinc/77/03/59/723770359.db2.gz JIFWRTPOIILPKY-IUODEOHRSA-N 2 1 273.380 1.984 10 30 CDEEMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)C[NH+](C)C ZINC000926963524 725075256 /nfs/dbraw/zinc/07/52/56/725075256.db2.gz UVZULPSWICVSHU-BFHYXJOUSA-N 2 1 253.390 1.625 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774600 725242784 /nfs/dbraw/zinc/24/27/84/725242784.db2.gz AWZZBSPAOFLNGD-KBPBESRZSA-N 2 1 299.846 1.647 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C1 ZINC000923550358 725346713 /nfs/dbraw/zinc/34/67/13/725346713.db2.gz CBWBIPUGXJTWSM-HRCADAONSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C1 ZINC000923550358 725346716 /nfs/dbraw/zinc/34/67/16/725346716.db2.gz CBWBIPUGXJTWSM-HRCADAONSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000923550358 725346718 /nfs/dbraw/zinc/34/67/18/725346718.db2.gz CBWBIPUGXJTWSM-HRCADAONSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC000923550358 725346719 /nfs/dbraw/zinc/34/67/19/725346719.db2.gz CBWBIPUGXJTWSM-HRCADAONSA-N 2 1 289.423 1.217 10 30 CDEEMP C=C(Cl)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000262019996 725373936 /nfs/dbraw/zinc/37/39/36/725373936.db2.gz YPAOYXDTRYLGRA-CMPLNLGQSA-N 2 1 272.824 1.633 10 30 CDEEMP C=CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000625702356 725413201 /nfs/dbraw/zinc/41/32/01/725413201.db2.gz XVJZYJSPSLAQDN-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP N#Cc1ccc(C2([NH2+]C[C@H](O)C[NH+]3CCCC3)CCC2)cc1 ZINC000847051297 725448226 /nfs/dbraw/zinc/44/82/26/725448226.db2.gz DJAPAVZXAZDDIH-KRWDZBQOSA-N 2 1 299.418 1.984 10 30 CDEEMP Cc1[nH+]ccn1CCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852869515 725463073 /nfs/dbraw/zinc/46/30/73/725463073.db2.gz CALVDMGNGOKTLD-UHFFFAOYSA-N 2 1 288.395 1.091 10 30 CDEEMP CC[NH+]=C(NCC[N@H+]1CCCC[C@@H]1C)N[C@@H]1C[C@H]1C ZINC000262814487 725893664 /nfs/dbraw/zinc/89/36/64/725893664.db2.gz OQMYZVIPNJINNB-HZSPNIEDSA-N 2 1 266.433 1.824 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001566516139 1168318927 /nfs/dbraw/zinc/31/89/27/1168318927.db2.gz AIOYLLOCUCTLGC-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001566516139 1168318931 /nfs/dbraw/zinc/31/89/31/1168318931.db2.gz AIOYLLOCUCTLGC-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001566516139 1168318936 /nfs/dbraw/zinc/31/89/36/1168318936.db2.gz AIOYLLOCUCTLGC-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@H+](CCCNC(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC001566590728 1168349629 /nfs/dbraw/zinc/34/96/29/1168349629.db2.gz UVMWZNPENQCMNH-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001566596861 1168351292 /nfs/dbraw/zinc/35/12/92/1168351292.db2.gz UVMWZNPENQCMNH-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH+](CCCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001566600955 1168351763 /nfs/dbraw/zinc/35/17/63/1168351763.db2.gz RRGIMMSFBXJRDC-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001566600955 1168351768 /nfs/dbraw/zinc/35/17/68/1168351768.db2.gz RRGIMMSFBXJRDC-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001566600955 1168351776 /nfs/dbraw/zinc/35/17/76/1168351776.db2.gz RRGIMMSFBXJRDC-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001567230582 1168631065 /nfs/dbraw/zinc/63/10/65/1168631065.db2.gz MCGQQSWDSOQVHW-OCCSQVGLSA-N 2 1 290.411 1.424 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567266856 1168643204 /nfs/dbraw/zinc/64/32/04/1168643204.db2.gz QGYMPAHLLUDUIW-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567266856 1168643207 /nfs/dbraw/zinc/64/32/07/1168643207.db2.gz QGYMPAHLLUDUIW-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567266856 1168643211 /nfs/dbraw/zinc/64/32/11/1168643211.db2.gz QGYMPAHLLUDUIW-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001567334786 1168690180 /nfs/dbraw/zinc/69/01/80/1168690180.db2.gz ATOVIPYSILFBTQ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001567334786 1168690182 /nfs/dbraw/zinc/69/01/82/1168690182.db2.gz ATOVIPYSILFBTQ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001567334786 1168690188 /nfs/dbraw/zinc/69/01/88/1168690188.db2.gz ATOVIPYSILFBTQ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001266323295 894385401 /nfs/dbraw/zinc/38/54/01/894385401.db2.gz YTKBCSTXKLNYPC-KGLIPLIRSA-N 2 1 285.407 1.433 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001266495570 895058099 /nfs/dbraw/zinc/05/80/99/895058099.db2.gz PDVAZUIMSOPRKR-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266550688 895325863 /nfs/dbraw/zinc/32/58/63/895325863.db2.gz BOCNXURCENPFDU-INIZCTEOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267229726 897236157 /nfs/dbraw/zinc/23/61/57/897236157.db2.gz ABWBVPVTGKQDHF-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267229726 897236171 /nfs/dbraw/zinc/23/61/71/897236171.db2.gz ABWBVPVTGKQDHF-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001267602324 898716411 /nfs/dbraw/zinc/71/64/11/898716411.db2.gz ZLTQFLMRHZCGHG-MRXNPFEDSA-N 2 1 291.439 1.324 10 30 CDEEMP C#CC[NH+]1CC(CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001267685977 899282842 /nfs/dbraw/zinc/28/28/42/899282842.db2.gz JXPUIWKPAJNYRL-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001267685977 899282853 /nfs/dbraw/zinc/28/28/53/899282853.db2.gz JXPUIWKPAJNYRL-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001267728869 899419763 /nfs/dbraw/zinc/41/97/63/899419763.db2.gz OUMZBMTUTNHVRH-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267728869 899419772 /nfs/dbraw/zinc/41/97/72/899419772.db2.gz OUMZBMTUTNHVRH-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268004828 900257925 /nfs/dbraw/zinc/25/79/25/900257925.db2.gz IHKLKGBKGCBYLR-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282074164 901383719 /nfs/dbraw/zinc/38/37/19/901383719.db2.gz ORBKLCKGTOKNLN-UHFFFAOYSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CCF)CC1 ZINC001483989398 915268662 /nfs/dbraw/zinc/26/86/62/915268662.db2.gz ILUHOHJMDNZROQ-UHFFFAOYSA-N 2 1 297.418 1.222 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001268254891 901679595 /nfs/dbraw/zinc/67/95/95/901679595.db2.gz GMEHUDHSRUGGGD-CABCVRRESA-N 2 1 281.444 1.683 10 30 CDEEMP C#CCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CCF)CC1 ZINC001483989398 915268680 /nfs/dbraw/zinc/26/86/80/915268680.db2.gz ILUHOHJMDNZROQ-UHFFFAOYSA-N 2 1 297.418 1.222 10 30 CDEEMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001481876528 902251575 /nfs/dbraw/zinc/25/15/75/902251575.db2.gz VVSUGMZKXSAUFB-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001268911630 903234917 /nfs/dbraw/zinc/23/49/17/903234917.db2.gz QCXFEHCPGUMYJZ-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)CCC[NH+]2CCCC2)C1 ZINC001567818408 1168994335 /nfs/dbraw/zinc/99/43/35/1168994335.db2.gz KFTHMMONCYEMNP-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C=CC[N@H+](CCOC)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001269644551 904006526 /nfs/dbraw/zinc/00/65/26/904006526.db2.gz MTRNMLKXOOGRBV-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001269943074 904225274 /nfs/dbraw/zinc/22/52/74/904225274.db2.gz HUDBUNZLSWHODS-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CCC ZINC001482696951 908292095 /nfs/dbraw/zinc/29/20/95/908292095.db2.gz YMBQAEUOWWIMLZ-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482887333 908460048 /nfs/dbraw/zinc/46/00/48/908460048.db2.gz AEJQUYKJUVUTAE-OLZOCXBDSA-N 2 1 287.835 1.565 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001273010074 921481903 /nfs/dbraw/zinc/48/19/03/921481903.db2.gz AIWCMDOYSAYKJA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483549551 911237885 /nfs/dbraw/zinc/23/78/85/911237885.db2.gz ITCHXDWOUBFQSO-ZIAGYGMSSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001484466235 915792636 /nfs/dbraw/zinc/79/26/36/915792636.db2.gz SKAUZLXGNKFJOV-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001484466235 915792645 /nfs/dbraw/zinc/79/26/45/915792645.db2.gz SKAUZLXGNKFJOV-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001484466235 915792650 /nfs/dbraw/zinc/79/26/50/915792650.db2.gz SKAUZLXGNKFJOV-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001484769175 916163180 /nfs/dbraw/zinc/16/31/80/916163180.db2.gz PNNDYEWYVPNLGX-UHFFFAOYSA-N 2 1 269.433 1.683 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001484769175 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CMLNSSQTTVRVHQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001500347522 974425848 /nfs/dbraw/zinc/42/58/48/974425848.db2.gz HVZHKBMJALAWFW-RDJZCZTQSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001502780806 974783804 /nfs/dbraw/zinc/78/38/04/974783804.db2.gz GTSSCOWCWITYPN-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001506578418 975181840 /nfs/dbraw/zinc/18/18/40/975181840.db2.gz GSNFCPSUWQVPIM-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001506578418 975181847 /nfs/dbraw/zinc/18/18/47/975181847.db2.gz GSNFCPSUWQVPIM-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001506578418 975181848 /nfs/dbraw/zinc/18/18/48/975181848.db2.gz GSNFCPSUWQVPIM-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001507113304 975341805 /nfs/dbraw/zinc/34/18/05/975341805.db2.gz JWORLTLCASKVFR-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001507854898 975550081 /nfs/dbraw/zinc/55/00/81/975550081.db2.gz NEPDPLCPWHTBOO-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001508180920 975630070 /nfs/dbraw/zinc/63/00/70/975630070.db2.gz XKPLRUZSOBDYNM-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001379250377 975729052 /nfs/dbraw/zinc/72/90/52/975729052.db2.gz ROWPAIVODIGFGY-CHWSQXEVSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001406354233 976147235 /nfs/dbraw/zinc/14/72/35/976147235.db2.gz PPFFQYTZYCXEQW-OLZOCXBDSA-N 2 1 287.835 1.706 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001675874103 1174160100 /nfs/dbraw/zinc/16/01/00/1174160100.db2.gz HWJKRXHSPXUETE-HUUCEWRRSA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001675874103 1174160106 /nfs/dbraw/zinc/16/01/06/1174160106.db2.gz HWJKRXHSPXUETE-HUUCEWRRSA-N 2 1 297.443 1.158 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001676051864 1174178316 /nfs/dbraw/zinc/17/83/16/1174178316.db2.gz AURKUIJQYBXTPF-OAHLLOKOSA-N 2 1 299.434 1.775 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001676783157 1174270895 /nfs/dbraw/zinc/27/08/95/1174270895.db2.gz KBZQZHHUWKYTLT-TZMCWYRMSA-N 2 1 276.384 1.347 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001570715921 1170250530 /nfs/dbraw/zinc/25/05/30/1170250530.db2.gz JVPWCWUYZNOYEB-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570715921 1170250536 /nfs/dbraw/zinc/25/05/36/1170250536.db2.gz JVPWCWUYZNOYEB-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001570715921 1170250543 /nfs/dbraw/zinc/25/05/43/1170250543.db2.gz JVPWCWUYZNOYEB-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614508 1170497094 /nfs/dbraw/zinc/49/70/94/1170497094.db2.gz JKCPGLBNLXBSJE-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C(C)(C)C ZINC001571625428 1170500032 /nfs/dbraw/zinc/50/00/32/1170500032.db2.gz CXNFYZSWLCCWHT-LSDHHAIUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)C(C)(C)C ZINC001571625428 1170500034 /nfs/dbraw/zinc/50/00/34/1170500034.db2.gz CXNFYZSWLCCWHT-LSDHHAIUSA-N 2 1 293.455 1.615 10 30 CDEEMP CCCCCCC[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001654105036 1171594246 /nfs/dbraw/zinc/59/42/46/1171594246.db2.gz QXTBLKDYYJISHX-UHFFFAOYSA-N 2 1 269.433 1.663 10 30 CDEEMP CCCCCCC[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC001654105036 1171594252 /nfs/dbraw/zinc/59/42/52/1171594252.db2.gz QXTBLKDYYJISHX-UHFFFAOYSA-N 2 1 269.433 1.663 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656105737 1171770498 /nfs/dbraw/zinc/77/04/98/1171770498.db2.gz KBLOVNZBACLKTG-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@H+]1C1CC1 ZINC000594438603 342906353 /nfs/dbraw/zinc/90/63/53/342906353.db2.gz KOCUCSPXCWUGHY-MBNYWOFBSA-N 2 1 278.400 1.139 10 30 CDEEMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600729791 342245655 /nfs/dbraw/zinc/24/56/55/342245655.db2.gz HXZRZLCTQPMNQH-LSDHHAIUSA-N 2 1 279.428 1.609 10 30 CDEEMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(C2(C#N)CC2)cc1 ZINC000594933980 342975955 /nfs/dbraw/zinc/97/59/55/342975955.db2.gz BSAWRECFVIRKNV-MRXNPFEDSA-N 2 1 287.407 1.644 10 30 CDEEMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000602966379 344669353 /nfs/dbraw/zinc/66/93/53/344669353.db2.gz CDGRAJPREPKHTE-AWEZNQCLSA-N 2 1 279.428 1.847 10 30 CDEEMP C=CC(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507789 345679401 /nfs/dbraw/zinc/67/94/01/345679401.db2.gz JINLSFVWGSSVHB-ZDUSSCGKSA-N 2 1 269.433 1.587 10 30 CDEEMP C=CC(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507789 345679403 /nfs/dbraw/zinc/67/94/03/345679403.db2.gz JINLSFVWGSSVHB-ZDUSSCGKSA-N 2 1 269.433 1.587 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298014 189103745 /nfs/dbraw/zinc/10/37/45/189103745.db2.gz WXNGMKLJMKYEMH-GXTWGEPZSA-N 2 1 276.384 1.347 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178298014 189103746 /nfs/dbraw/zinc/10/37/46/189103746.db2.gz WXNGMKLJMKYEMH-GXTWGEPZSA-N 2 1 276.384 1.347 10 30 CDEEMP C[C@@H]1CC[N@@H+](CC(=O)N(CCC#N)CCC[NH+](C)C)C1 ZINC000566923467 370837053 /nfs/dbraw/zinc/83/70/53/370837053.db2.gz KRTOXBNBWKIFRA-CQSZACIVSA-N 2 1 280.416 1.022 10 30 CDEEMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528475006 367854472 /nfs/dbraw/zinc/85/44/72/367854472.db2.gz JTOGRKQJNIJKRP-KGLIPLIRSA-N 2 1 265.401 1.457 10 30 CDEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001661891431 1172462026 /nfs/dbraw/zinc/46/20/26/1172462026.db2.gz ZJHRPWXSAMDEIV-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001661891431 1172462030 /nfs/dbraw/zinc/46/20/30/1172462030.db2.gz ZJHRPWXSAMDEIV-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001661891431 1172462035 /nfs/dbraw/zinc/46/20/35/1172462035.db2.gz ZJHRPWXSAMDEIV-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872743 1172605491 /nfs/dbraw/zinc/60/54/91/1172605491.db2.gz RXPJYBHVMUOREP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662872743 1172605495 /nfs/dbraw/zinc/60/54/95/1172605495.db2.gz RXPJYBHVMUOREP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001662872743 1172605499 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KBNWPXIEQFLFQK-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)CCOC ZINC000661114530 413807934 /nfs/dbraw/zinc/80/79/34/413807934.db2.gz IXKVEOMUJPGNLJ-BZUAXINKSA-N 2 1 284.444 1.650 10 30 CDEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)CCOC ZINC000661114530 413807943 /nfs/dbraw/zinc/80/79/43/413807943.db2.gz IXKVEOMUJPGNLJ-BZUAXINKSA-N 2 1 284.444 1.650 10 30 CDEEMP C#CCN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000037318630 173119241 /nfs/dbraw/zinc/11/92/41/173119241.db2.gz KMBQLQDMGQVSTG-UHFFFAOYSA-N 2 1 261.413 1.300 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@@H]2CO)s1 ZINC000043683938 175092465 /nfs/dbraw/zinc/09/24/65/175092465.db2.gz SRMTZCHRBQEBQT-LLVKDONJSA-N 2 1 250.367 1.015 10 30 CDEEMP [NH3+]CC#Cc1csc(CN2CC[NH+](C3CC3)CC2)c1 ZINC000043689031 175095920 /nfs/dbraw/zinc/09/59/20/175095920.db2.gz KDACQAQBKDXUGD-UHFFFAOYSA-N 2 1 275.421 1.338 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CCCO)s1)C[C@H]1CC[NH+](C)C1 ZINC000071190499 176066629 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C=CC[NH+](C)CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001667580279 1173292789 /nfs/dbraw/zinc/29/27/89/1173292789.db2.gz BHIGNIASDMCTRG-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001667580279 1173292794 /nfs/dbraw/zinc/29/27/94/1173292794.db2.gz BHIGNIASDMCTRG-UHFFFAOYSA-N 2 1 253.390 1.047 10 30 CDEEMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001671673510 1173702698 /nfs/dbraw/zinc/70/26/98/1173702698.db2.gz JFJMUIRZDIRGRP-WBVHZDCISA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001671912392 1173723111 /nfs/dbraw/zinc/72/31/11/1173723111.db2.gz MSJXFYDEUYBUNM-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001671912392 1173723115 /nfs/dbraw/zinc/72/31/15/1173723115.db2.gz MSJXFYDEUYBUNM-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001671912392 1173723121 /nfs/dbraw/zinc/72/31/21/1173723121.db2.gz MSJXFYDEUYBUNM-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1CC)N[C@@H]1C[C@H]1C ZINC000262594155 330022416 /nfs/dbraw/zinc/02/24/16/330022416.db2.gz WBCNFJIATSKVJE-FRRDWIJNSA-N 2 1 252.406 1.434 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NCC1(O)CCCC1)=[NH+]C ZINC000262818553 330033893 /nfs/dbraw/zinc/03/38/93/330033893.db2.gz XHZUGLLEZIFMCN-CQSZACIVSA-N 2 1 296.459 1.283 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268016155 1159649051 /nfs/dbraw/zinc/64/90/51/1159649051.db2.gz ZRTXNXVDLXFRJJ-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268069701 1159774477 /nfs/dbraw/zinc/77/44/77/1159774477.db2.gz ZQNPIMPLDBXRAD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001707450557 1178052467 /nfs/dbraw/zinc/05/24/67/1178052467.db2.gz AGIWURKDLNWJSJ-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001707450557 1178052476 /nfs/dbraw/zinc/05/24/76/1178052476.db2.gz AGIWURKDLNWJSJ-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001732359324 1182924549 /nfs/dbraw/zinc/92/45/49/1182924549.db2.gz BMKWEKZWUBZDRW-KBPBESRZSA-N 2 1 267.417 1.246 10 30 CDEEMP C[NH+](C)CC1CC[NH+](Cc2cccnc2C#N)CC1 ZINC000061664461 524049765 /nfs/dbraw/zinc/04/97/65/524049765.db2.gz SDPHBDBJVUHQQL-UHFFFAOYSA-N 2 1 258.369 1.727 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001688888769 1175053215 /nfs/dbraw/zinc/05/32/15/1175053215.db2.gz NRTBIUPFOJLNHU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001690128847 1175382252 /nfs/dbraw/zinc/38/22/52/1175382252.db2.gz UOACLHSOJSBHAC-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001690302103 1175431788 /nfs/dbraw/zinc/43/17/88/1175431788.db2.gz VVGWUIHADWOBLT-JOCQHMNTSA-N 2 1 253.390 1.140 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624284 613018557 /nfs/dbraw/zinc/01/85/57/613018557.db2.gz CJBJUVMPMZNVHU-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624284 613018558 /nfs/dbraw/zinc/01/85/58/613018558.db2.gz CJBJUVMPMZNVHU-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624284 613018560 /nfs/dbraw/zinc/01/85/60/613018560.db2.gz CJBJUVMPMZNVHU-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000901308684 624105443 /nfs/dbraw/zinc/10/54/43/624105443.db2.gz RKUPXCVZNBZHOM-CHWSQXEVSA-N 2 1 253.390 1.045 10 30 CDEEMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)cc(C#N)c1 ZINC000903474207 626004630 /nfs/dbraw/zinc/00/46/30/626004630.db2.gz IWLWTHGRTKZJNG-UHFFFAOYSA-N 2 1 267.760 1.619 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000908535118 628253692 /nfs/dbraw/zinc/25/36/92/628253692.db2.gz ACBPRLVVWBZPJK-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C(C)C ZINC000912509815 630049409 /nfs/dbraw/zinc/04/94/09/630049409.db2.gz SMGQOWGRTAOVIZ-AWEZNQCLSA-N 2 1 298.475 1.839 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691968113 1158506827 /nfs/dbraw/zinc/50/68/27/1158506827.db2.gz BPYOTVTZJJGSSD-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001691968113 1158506833 /nfs/dbraw/zinc/50/68/33/1158506833.db2.gz BPYOTVTZJJGSSD-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001691968113 1158506838 /nfs/dbraw/zinc/50/68/38/1158506838.db2.gz BPYOTVTZJJGSSD-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691170860 1158943344 /nfs/dbraw/zinc/94/33/44/1158943344.db2.gz IXFWBRMUVJUOQN-OAHLLOKOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691370226 1159041728 /nfs/dbraw/zinc/04/17/28/1159041728.db2.gz INKVFHUGDAANGG-PMPSAXMXSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001266573212 1158632155 /nfs/dbraw/zinc/63/21/55/1158632155.db2.gz LZKDIOVGZLPSDX-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001670556412 1158644402 /nfs/dbraw/zinc/64/44/02/1158644402.db2.gz LFNVHRWETQYBSL-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001691922826 1159156247 /nfs/dbraw/zinc/15/62/47/1159156247.db2.gz SWASSFNOPUUDMW-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001691922826 1159156250 /nfs/dbraw/zinc/15/62/50/1159156250.db2.gz SWASSFNOPUUDMW-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001691922826 1159156253 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ZINC001716896107 1180456526 /nfs/dbraw/zinc/45/65/26/1180456526.db2.gz QGISDYULMBTACZ-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001716993399 1180495111 /nfs/dbraw/zinc/49/51/11/1180495111.db2.gz IVWRZEXZPGEBDV-GJZGRUSLSA-N 2 1 279.428 1.036 10 30 CDEEMP C=C(C)CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001717629511 1180762277 /nfs/dbraw/zinc/76/22/77/1180762277.db2.gz QJGGKGXHWKUDGK-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001723303033 1181535076 /nfs/dbraw/zinc/53/50/76/1181535076.db2.gz WKMRYQHETANJEX-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001723721303 1181595780 /nfs/dbraw/zinc/59/57/80/1181595780.db2.gz LNLFEJGHONZQMM-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001723721303 1181595784 /nfs/dbraw/zinc/59/57/84/1181595784.db2.gz LNLFEJGHONZQMM-KRWDZBQOSA-N 2 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ZINC001725637009 1182081280 /nfs/dbraw/zinc/08/12/80/1182081280.db2.gz UQQXMOHMIRMRMC-HOCLYGCPSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001725637009 1182081285 /nfs/dbraw/zinc/08/12/85/1182081285.db2.gz UQQXMOHMIRMRMC-HOCLYGCPSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001731677531 1182514580 /nfs/dbraw/zinc/51/45/80/1182514580.db2.gz DQBPVBIOCYMQHU-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001731686115 1182517767 /nfs/dbraw/zinc/51/77/67/1182517767.db2.gz PPEGKDRZNHHXJN-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731710764 1182526681 /nfs/dbraw/zinc/52/66/81/1182526681.db2.gz KKGRIWKMXPUMCH-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001731795998 1182586848 /nfs/dbraw/zinc/58/68/48/1182586848.db2.gz NFSAFSIDICTVCK-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001731795998 1182586853 /nfs/dbraw/zinc/58/68/53/1182586853.db2.gz NFSAFSIDICTVCK-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001731795998 1182586860 /nfs/dbraw/zinc/58/68/60/1182586860.db2.gz NFSAFSIDICTVCK-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001731795998 1182586864 /nfs/dbraw/zinc/58/68/64/1182586864.db2.gz NFSAFSIDICTVCK-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731885484 1182652667 /nfs/dbraw/zinc/65/26/67/1182652667.db2.gz ODUJITAOFLDHFQ-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001731885484 1182652671 /nfs/dbraw/zinc/65/26/71/1182652671.db2.gz ODUJITAOFLDHFQ-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731885484 1182652678 /nfs/dbraw/zinc/65/26/78/1182652678.db2.gz ODUJITAOFLDHFQ-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001732748628 1183107230 /nfs/dbraw/zinc/10/72/30/1183107230.db2.gz ZNSKPIANOATGFY-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001732792249 1183126867 /nfs/dbraw/zinc/12/68/67/1183126867.db2.gz PAAWOTOWOJSTSS-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001732974274 1183213993 /nfs/dbraw/zinc/21/39/93/1183213993.db2.gz JWSITKMTDJXRMS-GFCCVEGCSA-N 2 1 264.373 1.287 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001733901207 1183563298 /nfs/dbraw/zinc/56/32/98/1183563298.db2.gz NGKCJBZNSFVSEI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001733901207 1183563300 /nfs/dbraw/zinc/56/33/00/1183563300.db2.gz NGKCJBZNSFVSEI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001733901207 1183563302 /nfs/dbraw/zinc/56/33/02/1183563302.db2.gz NGKCJBZNSFVSEI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH2+]CC1CC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001733960098 1183586162 /nfs/dbraw/zinc/58/61/62/1183586162.db2.gz LXCKAKVVFLXELP-BDVYOWHSSA-N 2 1 299.418 1.407 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001734301943 1183720490 /nfs/dbraw/zinc/72/04/90/1183720490.db2.gz MGJXXISZMLISDI-AWEZNQCLSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001691886710 1164433336 /nfs/dbraw/zinc/43/33/36/1164433336.db2.gz DSACPEQODLYABJ-QLFBSQMISA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691886710 1164433340 /nfs/dbraw/zinc/43/33/40/1164433340.db2.gz DSACPEQODLYABJ-QLFBSQMISA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001691886710 1164433344 /nfs/dbraw/zinc/43/33/44/1164433344.db2.gz DSACPEQODLYABJ-QLFBSQMISA-N 2 1 279.428 1.341 10 30 CDEEMP C[N@H+]1CCC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000120488356 726091327 /nfs/dbraw/zinc/09/13/27/726091327.db2.gz AJJFOOKYTXGFIJ-LBPRGKRZSA-N 2 1 252.406 1.565 10 30 CDEEMP C=C1CCC(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000724458774 728152669 /nfs/dbraw/zinc/15/26/69/728152669.db2.gz TWKLTCWZMWXPFH-OAHLLOKOSA-N 2 1 252.402 1.778 10 30 CDEEMP C=C1CCC(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000724458774 728152673 /nfs/dbraw/zinc/15/26/73/728152673.db2.gz TWKLTCWZMWXPFH-OAHLLOKOSA-N 2 1 252.402 1.778 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)CC1CC[NH+](C)CC1 ZINC001635757970 1166617359 /nfs/dbraw/zinc/61/73/59/1166617359.db2.gz SGNGTKFRCXLHFR-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001566466157 1168289692 /nfs/dbraw/zinc/28/96/92/1168289692.db2.gz QKIHEDHHKPAXRT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001566466157 1168289698 /nfs/dbraw/zinc/28/96/98/1168289698.db2.gz QKIHEDHHKPAXRT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001566466157 1168289702 /nfs/dbraw/zinc/28/97/02/1168289702.db2.gz QKIHEDHHKPAXRT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001567227905 1168630721 /nfs/dbraw/zinc/63/07/21/1168630721.db2.gz YUMMFEQOGSXREN-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001567265397 1168643531 /nfs/dbraw/zinc/64/35/31/1168643531.db2.gz WMAQKPJYGALFAC-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001567265397 1168643536 /nfs/dbraw/zinc/64/35/36/1168643536.db2.gz WMAQKPJYGALFAC-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001567265397 1168643545 /nfs/dbraw/zinc/64/35/45/1168643545.db2.gz WMAQKPJYGALFAC-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001266492707 895046500 /nfs/dbraw/zinc/04/65/00/895046500.db2.gz VCWPLUWCFTVWHM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001266492707 895046518 /nfs/dbraw/zinc/04/65/18/895046518.db2.gz VCWPLUWCFTVWHM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001266492707 895046534 /nfs/dbraw/zinc/04/65/34/895046534.db2.gz VCWPLUWCFTVWHM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001266611349 895555065 /nfs/dbraw/zinc/55/50/65/895555065.db2.gz GOJZXXAOQYBPGL-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001480895394 896254887 /nfs/dbraw/zinc/25/48/87/896254887.db2.gz VQBLATKUDUBDTB-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001266974476 896474552 /nfs/dbraw/zinc/47/45/52/896474552.db2.gz FGHPWEDWMAWUGK-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267024974 896588547 /nfs/dbraw/zinc/58/85/47/896588547.db2.gz BOGFIVTYULJYFR-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267044505 896625789 /nfs/dbraw/zinc/62/57/89/896625789.db2.gz SIDAMPVVUJETBE-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001267204537 897143497 /nfs/dbraw/zinc/14/34/97/897143497.db2.gz FCEMWDCVVVAFOB-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001267204537 897143491 /nfs/dbraw/zinc/14/34/91/897143491.db2.gz FCEMWDCVVVAFOB-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001267204537 897143494 /nfs/dbraw/zinc/14/34/94/897143494.db2.gz FCEMWDCVVVAFOB-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267302981 897531079 /nfs/dbraw/zinc/53/10/79/897531079.db2.gz JGXBRFKQVCTEMB-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267302981 897531092 /nfs/dbraw/zinc/53/10/92/897531092.db2.gz JGXBRFKQVCTEMB-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267302981 897531105 /nfs/dbraw/zinc/53/11/05/897531105.db2.gz JGXBRFKQVCTEMB-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267307063 897549751 /nfs/dbraw/zinc/54/97/51/897549751.db2.gz ZZQCYTMOGCYROO-OAHLLOKOSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001481012041 898491537 /nfs/dbraw/zinc/49/15/37/898491537.db2.gz SKZOZBNTTXAMKV-CABCVRRESA-N 2 1 279.428 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276.384 1.347 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001277924184 944061119 /nfs/dbraw/zinc/06/11/19/944061119.db2.gz BMHTVAFBXDSDIG-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001264125141 944083415 /nfs/dbraw/zinc/08/34/15/944083415.db2.gz COWGIRZRIAZWPP-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001265095257 944226554 /nfs/dbraw/zinc/22/65/54/944226554.db2.gz SCDBHFRSMHZGHF-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001265093282 944228092 /nfs/dbraw/zinc/22/80/92/944228092.db2.gz YIERNQDVTVGJLH-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061734 971558587 /nfs/dbraw/zinc/55/85/87/971558587.db2.gz LWTAFROJKNDPJG-CABCVRRESA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001480057963 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C#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001494301637 972207440 /nfs/dbraw/zinc/20/74/40/972207440.db2.gz YHDMUPFDQDPYFH-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001494301637 972207445 /nfs/dbraw/zinc/20/74/45/972207445.db2.gz YHDMUPFDQDPYFH-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001316836419 957059170 /nfs/dbraw/zinc/05/91/70/957059170.db2.gz XPUWPRYIRAIZOQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001316836419 957059182 /nfs/dbraw/zinc/05/91/82/957059182.db2.gz XPUWPRYIRAIZOQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001316836419 957059194 /nfs/dbraw/zinc/05/91/94/957059194.db2.gz XPUWPRYIRAIZOQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316908053 957115313 /nfs/dbraw/zinc/11/53/13/957115313.db2.gz UVROQHLEPIIFEC-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317097326 957267171 /nfs/dbraw/zinc/26/71/71/957267171.db2.gz SMAIFEZQHXGLJJ-BPLDGKMQSA-N 2 1 290.411 1.783 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001317320945 957421844 /nfs/dbraw/zinc/42/18/44/957421844.db2.gz CSWZGDQKRGQLID-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001317381835 957441910 /nfs/dbraw/zinc/44/19/10/957441910.db2.gz BVDKOMSIWLVIAS-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001317381835 957441915 /nfs/dbraw/zinc/44/19/15/957441915.db2.gz BVDKOMSIWLVIAS-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317381835 957441918 /nfs/dbraw/zinc/44/19/18/957441918.db2.gz BVDKOMSIWLVIAS-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317380721 957443226 /nfs/dbraw/zinc/44/32/26/957443226.db2.gz GGAKODLWLJVAMK-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317380721 957443229 /nfs/dbraw/zinc/44/32/29/957443229.db2.gz GGAKODLWLJVAMK-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317380721 957443233 /nfs/dbraw/zinc/44/32/33/957443233.db2.gz GGAKODLWLJVAMK-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001332282332 957504150 /nfs/dbraw/zinc/50/41/50/957504150.db2.gz PQAZHIPIFZALJK-LSDHHAIUSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001494681964 972287451 /nfs/dbraw/zinc/28/74/51/972287451.db2.gz UEUFPIYIBQZUKZ-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001494726198 972297580 /nfs/dbraw/zinc/29/75/80/972297580.db2.gz CVIPUJAIPZYURL-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001494726198 972297585 /nfs/dbraw/zinc/29/75/85/972297585.db2.gz CVIPUJAIPZYURL-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001318626412 958202246 /nfs/dbraw/zinc/20/22/46/958202246.db2.gz KUZRXKDSDMWFSN-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001319478204 958587304 /nfs/dbraw/zinc/58/73/04/958587304.db2.gz SELXGDKXNNPGAJ-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001319633453 958666433 /nfs/dbraw/zinc/66/64/33/958666433.db2.gz HTAYOJAOAQOPSM-HUUCEWRRSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001319926221 958792974 /nfs/dbraw/zinc/79/29/74/958792974.db2.gz BINVLNZBHVQQFG-CQSZACIVSA-N 2 1 278.400 1.498 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC=C(C)C ZINC001320449944 959179890 /nfs/dbraw/zinc/17/98/90/959179890.db2.gz JXLFXMKCPDDIRT-HOTGVXAUSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC=C(C)C ZINC001320449944 959179898 /nfs/dbraw/zinc/17/98/98/959179898.db2.gz JXLFXMKCPDDIRT-HOTGVXAUSA-N 2 1 291.439 1.535 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC001323016347 960407777 /nfs/dbraw/zinc/40/77/77/960407777.db2.gz WDSAIVZDOVXIHD-MCIONIFRSA-N 2 1 286.379 1.021 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H](C)C1 ZINC001324099000 961160700 /nfs/dbraw/zinc/16/07/00/961160700.db2.gz UUPSADUWNCOZAN-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC001341716580 963520264 /nfs/dbraw/zinc/52/02/64/963520264.db2.gz IVAYWPYTLIDJNT-MCIONIFRSA-N 2 1 267.417 1.611 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001569565907 1169926294 /nfs/dbraw/zinc/92/62/94/1169926294.db2.gz HCCJBKOKYUYFME-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(CC)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC001521732278 970346235 /nfs/dbraw/zinc/34/62/35/970346235.db2.gz JLZVWFFHABEFKD-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(CC)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC001521732278 970346245 /nfs/dbraw/zinc/34/62/45/970346245.db2.gz JLZVWFFHABEFKD-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CC[C@]1(C(=O)NCCNc2cccc(C)[nH+]2)CCC[NH2+]1 ZINC001521812829 970359381 /nfs/dbraw/zinc/35/93/81/970359381.db2.gz OOYCVTJBKHDNRI-MRXNPFEDSA-N 2 1 288.395 1.616 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001371565160 972542902 /nfs/dbraw/zinc/54/29/02/972542902.db2.gz HJNLUDZPPUPMJN-CYBMUJFWSA-N 2 1 296.802 1.382 10 30 CDEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001495601995 972550373 /nfs/dbraw/zinc/55/03/73/972550373.db2.gz WKIPGXJZLHLQIY-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001496625564 972996110 /nfs/dbraw/zinc/99/61/10/972996110.db2.gz AZVSHMMWWMZFKJ-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001496915889 973143011 /nfs/dbraw/zinc/14/30/11/973143011.db2.gz NKWMUOKEFBMVPZ-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001498325636 973832928 /nfs/dbraw/zinc/83/29/28/973832928.db2.gz HZYJILZYMPYPNM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001498325636 973832936 /nfs/dbraw/zinc/83/29/36/973832936.db2.gz HZYJILZYMPYPNM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001498325636 973832946 /nfs/dbraw/zinc/83/29/46/973832946.db2.gz HZYJILZYMPYPNM-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC)CC1 ZINC001500054750 974364526 /nfs/dbraw/zinc/36/45/26/974364526.db2.gz UBMROYBPPJVVDB-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001501153814 974542474 /nfs/dbraw/zinc/54/24/74/974542474.db2.gz WIRGCTBRPWWTBY-JKSUJKDBSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001503290616 974818465 /nfs/dbraw/zinc/81/84/65/974818465.db2.gz KTHFOSOIAUGOMU-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001505693868 974966944 /nfs/dbraw/zinc/96/69/44/974966944.db2.gz GMKZADXTJYWBMS-KGLIPLIRSA-N 2 1 281.444 1.470 10 30 CDEEMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001506550950 975178082 /nfs/dbraw/zinc/17/80/82/975178082.db2.gz APKIJKRFQYBGKJ-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001506667260 975200269 /nfs/dbraw/zinc/20/02/69/975200269.db2.gz RBKYCVGUZHRZCL-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001507350947 975426700 /nfs/dbraw/zinc/42/67/00/975426700.db2.gz QXGALSUZUKOFTM-ZFWWWQNUSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001507385583 975443721 /nfs/dbraw/zinc/44/37/21/975443721.db2.gz SDZYHCRNROHHNF-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001508228276 975645314 /nfs/dbraw/zinc/64/53/14/975645314.db2.gz UDIPFXWHKMPHBP-OAHLLOKOSA-N 2 1 279.428 1.651 10 30 CDEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001402087443 976115028 /nfs/dbraw/zinc/11/50/28/976115028.db2.gz MCPHUMIHCOPGAZ-UHFFFAOYSA-N 2 1 299.846 1.805 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001393782812 977915461 /nfs/dbraw/zinc/91/54/61/977915461.db2.gz HMAJNKQBSXRVLM-OLZOCXBDSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001393782812 977915467 /nfs/dbraw/zinc/91/54/67/977915467.db2.gz HMAJNKQBSXRVLM-OLZOCXBDSA-N 2 1 287.835 1.660 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001676946262 1174299768 /nfs/dbraw/zinc/29/97/68/1174299768.db2.gz WAZVVWWZWGKXLW-KBPBESRZSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001570560759 1170189779 /nfs/dbraw/zinc/18/97/79/1170189779.db2.gz ALNDRFHBSQRBBZ-PRLABOORSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570751897 1170271421 /nfs/dbraw/zinc/27/14/21/1170271421.db2.gz RKAOHTKHWMOULR-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001570751897 1170271427 /nfs/dbraw/zinc/27/14/27/1170271427.db2.gz RKAOHTKHWMOULR-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001570751897 1170271434 /nfs/dbraw/zinc/27/14/34/1170271434.db2.gz RKAOHTKHWMOULR-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCN(C)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001571617152 1170496056 /nfs/dbraw/zinc/49/60/56/1170496056.db2.gz WMZKVPXGQCZBDR-IYBDPMFKSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001571617152 1170496061 /nfs/dbraw/zinc/49/60/61/1170496061.db2.gz WMZKVPXGQCZBDR-IYBDPMFKSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001571617152 1170496064 /nfs/dbraw/zinc/49/60/64/1170496064.db2.gz WMZKVPXGQCZBDR-IYBDPMFKSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001571617152 1170496066 /nfs/dbraw/zinc/49/60/66/1170496066.db2.gz WMZKVPXGQCZBDR-IYBDPMFKSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC001571617152 1170496072 /nfs/dbraw/zinc/49/60/72/1170496072.db2.gz WMZKVPXGQCZBDR-IYBDPMFKSA-N 2 1 293.455 1.661 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109369 1171768377 /nfs/dbraw/zinc/76/83/77/1171768377.db2.gz JFYVYYKKGYZHAT-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP N#CCCCC[C@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000593942245 342859500 /nfs/dbraw/zinc/85/95/00/342859500.db2.gz DKQHGGIQGCGATJ-JTQLQIEISA-N 2 1 263.345 1.881 10 30 CDEEMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437386 342906062 /nfs/dbraw/zinc/90/60/62/342906062.db2.gz BQZMJVUBGZMKCG-MCIONIFRSA-N 2 1 280.416 1.339 10 30 CDEEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439246 342906666 /nfs/dbraw/zinc/90/66/66/342906666.db2.gz UMHGTAMISBUNAV-MCIONIFRSA-N 2 1 278.400 1.093 10 30 CDEEMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439249 342906778 /nfs/dbraw/zinc/90/67/78/342906778.db2.gz UMHGTAMISBUNAV-RDBSUJKOSA-N 2 1 278.400 1.093 10 30 CDEEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594441586 342907407 /nfs/dbraw/zinc/90/74/07/342907407.db2.gz SWBRDSATEQSUEW-HUUCEWRRSA-N 2 1 294.443 1.778 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cnccc1C#N ZINC000596359657 343310290 /nfs/dbraw/zinc/31/02/90/343310290.db2.gz BRVILFXRLXYVII-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cnccc1C#N ZINC000596359657 343310291 /nfs/dbraw/zinc/31/02/91/343310291.db2.gz BRVILFXRLXYVII-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596651298 343371448 /nfs/dbraw/zinc/37/14/48/343371448.db2.gz MAGXVQXZIFAJML-MJBXVCDLSA-N 2 1 265.401 1.802 10 30 CDEEMP C[NH+](CC#CC[N@H+](C)[C@@H]1CCCOC1)[C@@H]1CCCOC1 ZINC000352222866 529822970 /nfs/dbraw/zinc/82/29/70/529822970.db2.gz SQHITWDXDICZFZ-HZPDHXFCSA-N 2 1 280.412 1.211 10 30 CDEEMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CCO1 ZINC000599477883 344068855 /nfs/dbraw/zinc/06/88/55/344068855.db2.gz KOCCNLHHQPBOHC-GJZGRUSLSA-N 2 1 295.427 1.084 10 30 CDEEMP C=CC[C@@H]1CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629551347 362985048 /nfs/dbraw/zinc/98/50/48/362985048.db2.gz UBIKGXMHFUFPJT-IKGGRYGDSA-N 2 1 274.408 1.815 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001660321132 1172194907 /nfs/dbraw/zinc/19/49/07/1172194907.db2.gz BNENDBHHBTVLRG-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001660545624 1172229511 /nfs/dbraw/zinc/22/95/11/1172229511.db2.gz DCNGADGFQUZHPM-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001660545624 1172229519 /nfs/dbraw/zinc/22/95/19/1172229519.db2.gz DCNGADGFQUZHPM-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001661235694 1172355800 /nfs/dbraw/zinc/35/58/00/1172355800.db2.gz MWOZUMTZZGSCSS-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001661235694 1172355810 /nfs/dbraw/zinc/35/58/10/1172355810.db2.gz MWOZUMTZZGSCSS-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2c1 ZINC000369479853 374355149 /nfs/dbraw/zinc/35/51/49/374355149.db2.gz GAIKVQOHDYMWIO-CABCVRRESA-N 2 1 295.390 1.922 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000369479853 374355152 /nfs/dbraw/zinc/35/51/52/374355152.db2.gz GAIKVQOHDYMWIO-CABCVRRESA-N 2 1 295.390 1.922 10 30 CDEEMP C[N@H+](CC#Cc1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000192136025 378185639 /nfs/dbraw/zinc/18/56/39/378185639.db2.gz JDJJLHAPTNWROJ-UHFFFAOYSA-N 2 1 285.435 1.607 10 30 CDEEMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657870883 413063943 /nfs/dbraw/zinc/06/39/43/413063943.db2.gz RDOMQXOYPSFBSU-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1C#N ZINC000232315643 140221868 /nfs/dbraw/zinc/22/18/68/140221868.db2.gz LONKMPDBPXRIDZ-UONOGXRCSA-N 2 1 258.369 1.613 10 30 CDEEMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1C#N ZINC000232315643 140221870 /nfs/dbraw/zinc/22/18/70/140221870.db2.gz LONKMPDBPXRIDZ-UONOGXRCSA-N 2 1 258.369 1.613 10 30 CDEEMP C=CCOCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658206548 413282010 /nfs/dbraw/zinc/28/20/10/413282010.db2.gz OUMGKKXTDCKVJD-HNNXBMFYSA-N 2 1 268.401 1.422 10 30 CDEEMP C=CCNC(=O)C[N@@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748467 174393109 /nfs/dbraw/zinc/39/31/09/174393109.db2.gz FOCXESDHLACDHJ-PBWFPOADSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CCNC(=O)C[N@H+](CCC)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748467 174393111 /nfs/dbraw/zinc/39/31/11/174393111.db2.gz FOCXESDHLACDHJ-PBWFPOADSA-N 2 1 265.401 1.284 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001666298977 1173124670 /nfs/dbraw/zinc/12/46/70/1173124670.db2.gz SWGRZNFGNMIIQN-RBSFLKMASA-N 2 1 277.412 1.121 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001668215208 1173382875 /nfs/dbraw/zinc/38/28/75/1173382875.db2.gz YFSBCOKQKUWHEF-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001671900594 1173721121 /nfs/dbraw/zinc/72/11/21/1173721121.db2.gz CYKFJNWHMSARGT-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001270984306 1160234682 /nfs/dbraw/zinc/23/46/82/1160234682.db2.gz ZRHMRDYUBNNSGB-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270984306 1160234688 /nfs/dbraw/zinc/23/46/88/1160234688.db2.gz ZRHMRDYUBNNSGB-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270984306 1160234691 /nfs/dbraw/zinc/23/46/91/1160234691.db2.gz ZRHMRDYUBNNSGB-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC=C ZINC001732998558 1160411846 /nfs/dbraw/zinc/41/18/46/1160411846.db2.gz IYOLINRWABXFTN-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC=C ZINC001732998558 1160411850 /nfs/dbraw/zinc/41/18/50/1160411850.db2.gz IYOLINRWABXFTN-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001691661437 1161442057 /nfs/dbraw/zinc/44/20/57/1161442057.db2.gz TWXPOTZECDIDSH-CVEARBPZSA-N 2 1 293.455 1.663 10 30 CDEEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)NCC#CC[NH+](C)C ZINC001684868901 1174663579 /nfs/dbraw/zinc/66/35/79/1174663579.db2.gz GPPIZGLNHLRLAC-OAHLLOKOSA-N 2 1 294.443 1.115 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCc1nccn1C ZINC001688881457 1175050075 /nfs/dbraw/zinc/05/00/75/1175050075.db2.gz SKZNZAKLJDNMJS-CQSZACIVSA-N 2 1 290.411 1.462 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690290148 1175426942 /nfs/dbraw/zinc/42/69/42/1175426942.db2.gz VSBAIVXCZBDWKC-HDJSIYSDSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1 ZINC000900827065 623535435 /nfs/dbraw/zinc/53/54/35/623535435.db2.gz DYKCHISAIMBVPM-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000901151744 623912485 /nfs/dbraw/zinc/91/24/85/623912485.db2.gz JVTGRWLPCHQDJH-INIZCTEOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000901308685 624105152 /nfs/dbraw/zinc/10/51/52/624105152.db2.gz RKUPXCVZNBZHOM-OLZOCXBDSA-N 2 1 253.390 1.045 10 30 CDEEMP N#Cc1ccc(N[C@H]2CCC[N@H+](CCC[NH3+])C2)nc1 ZINC000903988811 626175095 /nfs/dbraw/zinc/17/50/95/626175095.db2.gz XUVBNOKPRLOLQL-ZDUSSCGKSA-N 2 1 259.357 1.178 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000909915031 628742520 /nfs/dbraw/zinc/74/25/20/628742520.db2.gz RZAIBEXSDTYQKT-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001266445299 1158548100 /nfs/dbraw/zinc/54/81/00/1158548100.db2.gz ODSVOTIBYMMXKD-JKSUJKDBSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001691990103 1158676518 /nfs/dbraw/zinc/67/65/18/1158676518.db2.gz VEVZABSDARVGBD-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001691990103 1158676524 /nfs/dbraw/zinc/67/65/24/1158676524.db2.gz VEVZABSDARVGBD-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001691990103 1158676526 /nfs/dbraw/zinc/67/65/26/1158676526.db2.gz VEVZABSDARVGBD-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001691789903 1159419805 /nfs/dbraw/zinc/41/98/05/1159419805.db2.gz IELYVBHDMZRLQA-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482290736 1160110553 /nfs/dbraw/zinc/11/05/53/1160110553.db2.gz AMCMJMPRUWPWAV-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001567155122 1168600566 /nfs/dbraw/zinc/60/05/66/1168600566.db2.gz MEYBAJHJAXAUEM-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001568709655 1169440540 /nfs/dbraw/zinc/44/05/40/1169440540.db2.gz CTJBMSSANGFMPR-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001570182062 1170104722 /nfs/dbraw/zinc/10/47/22/1170104722.db2.gz WABAVKIMHYSTPC-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001570218625 1170115634 /nfs/dbraw/zinc/11/56/34/1170115634.db2.gz YAZLNCFOSLXKLM-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001570218625 1170115637 /nfs/dbraw/zinc/11/56/37/1170115637.db2.gz YAZLNCFOSLXKLM-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001570218625 1170115640 /nfs/dbraw/zinc/11/56/40/1170115640.db2.gz YAZLNCFOSLXKLM-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001570218625 1170115644 /nfs/dbraw/zinc/11/56/44/1170115644.db2.gz YAZLNCFOSLXKLM-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C#CCC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001570896656 1170314726 /nfs/dbraw/zinc/31/47/26/1170314726.db2.gz HYSDRNFMBMJSPA-KGLIPLIRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001661891429 1172462454 /nfs/dbraw/zinc/46/24/54/1172462454.db2.gz ZJHRPWXSAMDEIV-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001661891429 1172462445 /nfs/dbraw/zinc/46/24/45/1172462445.db2.gz ZJHRPWXSAMDEIV-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001661891429 1172462449 /nfs/dbraw/zinc/46/24/49/1172462449.db2.gz ZJHRPWXSAMDEIV-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC=C(C)C ZINC001665804889 1173064105 /nfs/dbraw/zinc/06/41/05/1173064105.db2.gz NBHXYQKCPBLDDP-CVEARBPZSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC=C(C)C ZINC001665804889 1173064108 /nfs/dbraw/zinc/06/41/08/1173064108.db2.gz NBHXYQKCPBLDDP-CVEARBPZSA-N 2 1 291.439 1.535 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001675832350 1174152494 /nfs/dbraw/zinc/15/24/94/1174152494.db2.gz KILOHRRGNQAOKB-JYJNAYRXSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677263353 1174341526 /nfs/dbraw/zinc/34/15/26/1174341526.db2.gz PNHAIEUOXDTQIN-UONOGXRCSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH2+]CCc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001690799883 1175574444 /nfs/dbraw/zinc/57/44/44/1175574444.db2.gz IKDYSTAKBPWTTF-KRWDZBQOSA-N 2 1 299.418 1.020 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691994635 1175663312 /nfs/dbraw/zinc/66/33/12/1175663312.db2.gz IRRBBNPKFLCYTI-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691994635 1175663317 /nfs/dbraw/zinc/66/33/17/1175663317.db2.gz IRRBBNPKFLCYTI-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691994635 1175663322 /nfs/dbraw/zinc/66/33/22/1175663322.db2.gz IRRBBNPKFLCYTI-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001698725885 1175903515 /nfs/dbraw/zinc/90/35/15/1175903515.db2.gz GCSVITYRSVQPPO-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001698767332 1175925095 /nfs/dbraw/zinc/92/50/95/1175925095.db2.gz FJCTVBQDRFBFPE-CYBMUJFWSA-N 2 1 269.433 1.492 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001698879270 1175975999 /nfs/dbraw/zinc/97/59/99/1175975999.db2.gz NGWIKFMYYGJEPX-HNNXBMFYSA-N 2 1 292.427 1.888 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001699573567 1176478653 /nfs/dbraw/zinc/47/86/53/1176478653.db2.gz HWUUTMTVJQZBRI-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699650997 1176548549 /nfs/dbraw/zinc/54/85/49/1176548549.db2.gz INNHISFSYNCDQM-CYBMUJFWSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001699877265 1176664788 /nfs/dbraw/zinc/66/47/88/1176664788.db2.gz UNYZYYDPCMLIAC-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001699877265 1176664794 /nfs/dbraw/zinc/66/47/94/1176664794.db2.gz UNYZYYDPCMLIAC-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001699877265 1176664797 /nfs/dbraw/zinc/66/47/97/1176664797.db2.gz UNYZYYDPCMLIAC-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001700015531 1176719985 /nfs/dbraw/zinc/71/99/85/1176719985.db2.gz DPFXIKIVALURMB-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001700015531 1176719990 /nfs/dbraw/zinc/71/99/90/1176719990.db2.gz DPFXIKIVALURMB-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001700015531 1176719994 /nfs/dbraw/zinc/71/99/94/1176719994.db2.gz DPFXIKIVALURMB-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001700280336 1176830646 /nfs/dbraw/zinc/83/06/46/1176830646.db2.gz HVKMMSYDQVLRPW-ZIAGYGMSSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001700356184 1176868256 /nfs/dbraw/zinc/86/82/56/1176868256.db2.gz FVTHTEUTMYRLLZ-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700636177 1177048339 /nfs/dbraw/zinc/04/83/39/1177048339.db2.gz ZPQMSQAURBXEPY-HDJSIYSDSA-N 2 1 276.384 1.252 10 30 CDEEMP C#CCC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001700714440 1177088012 /nfs/dbraw/zinc/08/80/12/1177088012.db2.gz DYEKDYOCAXWIPM-OAHLLOKOSA-N 2 1 290.411 1.335 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001700920839 1177196143 /nfs/dbraw/zinc/19/61/43/1177196143.db2.gz BSEHDDGJHARWLT-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713549781 1178639796 /nfs/dbraw/zinc/63/97/96/1178639796.db2.gz CVFFKGGUFUCUMD-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001713740562 1178730918 /nfs/dbraw/zinc/73/09/18/1178730918.db2.gz VKHJCGFIQLLLDE-HNNXBMFYSA-N 2 1 279.428 1.487 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001714109784 1178977850 /nfs/dbraw/zinc/97/78/50/1178977850.db2.gz OUTUSPUGLLSTNU-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001714109784 1178977853 /nfs/dbraw/zinc/97/78/53/1178977853.db2.gz OUTUSPUGLLSTNU-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714654426 1179301832 /nfs/dbraw/zinc/30/18/32/1179301832.db2.gz RSCBDGFRPNUQLC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714654426 1179301827 /nfs/dbraw/zinc/30/18/27/1179301827.db2.gz RSCBDGFRPNUQLC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001714833111 1179415689 /nfs/dbraw/zinc/41/56/89/1179415689.db2.gz PHNUSAJNAYYPEE-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001714833111 1179415693 /nfs/dbraw/zinc/41/56/93/1179415693.db2.gz PHNUSAJNAYYPEE-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001714833111 1179415694 /nfs/dbraw/zinc/41/56/94/1179415694.db2.gz PHNUSAJNAYYPEE-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1C[NH+](CC)CCO1)C(C)C ZINC001714833111 1179415699 /nfs/dbraw/zinc/41/56/99/1179415699.db2.gz PHNUSAJNAYYPEE-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001715446159 1179669333 /nfs/dbraw/zinc/66/93/33/1179669333.db2.gz WNQSPNCPVYDZRJ-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001715523703 1179699315 /nfs/dbraw/zinc/69/93/15/1179699315.db2.gz WXPFKDSLJFJTGC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715523703 1179699313 /nfs/dbraw/zinc/69/93/13/1179699313.db2.gz WXPFKDSLJFJTGC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl ZINC001715653419 1179753355 /nfs/dbraw/zinc/75/33/55/1179753355.db2.gz NMUOZPBRIFSRQI-QDDHOEGMSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\Cl ZINC001715653419 1179753359 /nfs/dbraw/zinc/75/33/59/1179753359.db2.gz NMUOZPBRIFSRQI-QDDHOEGMSA-N 2 1 297.830 1.321 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001715836756 1179858138 /nfs/dbraw/zinc/85/81/38/1179858138.db2.gz ZNRHGCCUKPPDQS-UDLYIEAKSA-N 2 1 291.439 1.841 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001716051054 1180022321 /nfs/dbraw/zinc/02/23/21/1180022321.db2.gz LRJIPPHZJPCLFV-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001716051054 1180022327 /nfs/dbraw/zinc/02/23/27/1180022327.db2.gz LRJIPPHZJPCLFV-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001716051054 1180022331 /nfs/dbraw/zinc/02/23/31/1180022331.db2.gz LRJIPPHZJPCLFV-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716873898 1180449202 /nfs/dbraw/zinc/44/92/02/1180449202.db2.gz CIBBVSSDIGRDNW-QGZVFWFLSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717304989 1180611353 /nfs/dbraw/zinc/61/13/53/1180611353.db2.gz ZZWRXMCCIPCGPJ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001717641326 1180769981 /nfs/dbraw/zinc/76/99/81/1180769981.db2.gz FHRZFELJOATGGY-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001717751688 1180829865 /nfs/dbraw/zinc/82/98/65/1180829865.db2.gz ZSSVLAVZWDLPJA-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001718028133 1180974829 /nfs/dbraw/zinc/97/48/29/1180974829.db2.gz HLODSARYQQMHEH-MRXNPFEDSA-N 2 1 291.439 1.488 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001722906445 1181489670 /nfs/dbraw/zinc/48/96/70/1181489670.db2.gz OOVWNUHXTSZAKU-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CCC ZINC001722906445 1181489673 /nfs/dbraw/zinc/48/96/73/1181489673.db2.gz OOVWNUHXTSZAKU-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CCC ZINC001722906445 1181489676 /nfs/dbraw/zinc/48/96/76/1181489676.db2.gz OOVWNUHXTSZAKU-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001723203106 1181526196 /nfs/dbraw/zinc/52/61/96/1181526196.db2.gz JLEJUGQVTVEBHJ-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001725002904 1181821259 /nfs/dbraw/zinc/82/12/59/1181821259.db2.gz MQVMWRFHWKLDIW-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001725002904 1181821264 /nfs/dbraw/zinc/82/12/64/1181821264.db2.gz MQVMWRFHWKLDIW-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001725002904 1181821272 /nfs/dbraw/zinc/82/12/72/1181821272.db2.gz MQVMWRFHWKLDIW-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001725046657 1181833258 /nfs/dbraw/zinc/83/32/58/1181833258.db2.gz CFTUORFQWWGPOY-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001725046657 1181833263 /nfs/dbraw/zinc/83/32/63/1181833263.db2.gz CFTUORFQWWGPOY-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001725426015 1181995273 /nfs/dbraw/zinc/99/52/73/1181995273.db2.gz SHEMWVOHWXAVCA-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001725426015 1181995276 /nfs/dbraw/zinc/99/52/76/1181995276.db2.gz SHEMWVOHWXAVCA-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001725426015 1181995278 /nfs/dbraw/zinc/99/52/78/1181995278.db2.gz SHEMWVOHWXAVCA-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001725636420 1182081146 /nfs/dbraw/zinc/08/11/46/1182081146.db2.gz QZXFJEFELZTAFJ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001725637004 1182081218 /nfs/dbraw/zinc/08/12/18/1182081218.db2.gz UQQXMOHMIRMRMC-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001725637004 1182081227 /nfs/dbraw/zinc/08/12/27/1182081227.db2.gz UQQXMOHMIRMRMC-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001725637004 1182081233 /nfs/dbraw/zinc/08/12/33/1182081233.db2.gz UQQXMOHMIRMRMC-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001731280707 1182293764 /nfs/dbraw/zinc/29/37/64/1182293764.db2.gz RZFREPXFHUTBJP-HNNXBMFYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001731280707 1182293768 /nfs/dbraw/zinc/29/37/68/1182293768.db2.gz RZFREPXFHUTBJP-HNNXBMFYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001731280707 1182293776 /nfs/dbraw/zinc/29/37/76/1182293776.db2.gz RZFREPXFHUTBJP-HNNXBMFYSA-N 2 1 265.401 1.096 10 30 CDEEMP 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CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001733951834 1183582423 /nfs/dbraw/zinc/58/24/23/1183582423.db2.gz SDXPOPZXJAJRJW-UHFFFAOYSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001734000767 1183609734 /nfs/dbraw/zinc/60/97/34/1183609734.db2.gz GCQBRNHGHFMJLL-QWHCGFSZSA-N 2 1 278.400 1.641 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001734001576 1183609998 /nfs/dbraw/zinc/60/99/98/1183609998.db2.gz OFQZRVLQYMMITN-STQMWFEESA-N 2 1 255.406 1.387 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001734047836 1183634373 /nfs/dbraw/zinc/63/43/73/1183634373.db2.gz GQDVZRKWCBSEEW-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001734213356 1183693599 /nfs/dbraw/zinc/69/35/99/1183693599.db2.gz SDXPOPZXJAJRJW-SHTZXODSSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001734274401 1183710471 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CDEEMP CC[N@H+]1CC[C@@H](N(C)C(=O)C#CC2CC[NH2+]CC2)[C@H](C)C1 ZINC000852869942 729360036 /nfs/dbraw/zinc/36/00/36/729360036.db2.gz HWNNHFIZTMIUDO-GDBMZVCRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000879032046 729995646 /nfs/dbraw/zinc/99/56/46/729995646.db2.gz IYKHMZUIJKXTBU-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000872251378 730042158 /nfs/dbraw/zinc/04/21/58/730042158.db2.gz PYIMTZIABHZPOD-YDHLFZDLSA-N 2 1 250.386 1.223 10 30 CDEEMP C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000872251378 730042160 /nfs/dbraw/zinc/04/21/60/730042160.db2.gz PYIMTZIABHZPOD-YDHLFZDLSA-N 2 1 250.386 1.223 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC001621583025 1165703453 /nfs/dbraw/zinc/70/34/53/1165703453.db2.gz HMLFFOBYKZNVDS-UHFFFAOYSA-N 2 1 293.386 1.492 10 30 CDEEMP C=CC[N@@H+](C)CCN(CC)C(=O)c1ccc(C[NH+](C)C)o1 ZINC001634645557 1166525300 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/nfs/dbraw/zinc/35/48/80/915354880.db2.gz YBEQOVFHQPVTEB-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001484048934 915354898 /nfs/dbraw/zinc/35/48/98/915354898.db2.gz YBEQOVFHQPVTEB-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001484411957 915737638 /nfs/dbraw/zinc/73/76/38/915737638.db2.gz FRHXVOMCONEGOM-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001484759136 916145604 /nfs/dbraw/zinc/14/56/04/916145604.db2.gz RRDGETDTOIYWEU-UHFFFAOYSA-N 2 1 281.444 1.378 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001484759136 916145613 /nfs/dbraw/zinc/14/56/13/916145613.db2.gz RRDGETDTOIYWEU-UHFFFAOYSA-N 2 1 281.444 1.378 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001484759136 916145619 /nfs/dbraw/zinc/14/56/19/916145619.db2.gz RRDGETDTOIYWEU-UHFFFAOYSA-N 2 1 281.444 1.378 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485260717 916706136 /nfs/dbraw/zinc/70/61/36/916706136.db2.gz OWOOYGNXXNTTDY-CQSZACIVSA-N 2 1 279.428 1.036 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001485757956 917250934 /nfs/dbraw/zinc/25/09/34/917250934.db2.gz SDQMJJCBEDSGFL-GDBMZVCRSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001485757956 917250947 /nfs/dbraw/zinc/25/09/47/917250947.db2.gz SDQMJJCBEDSGFL-GDBMZVCRSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001485757956 917250957 /nfs/dbraw/zinc/25/09/57/917250957.db2.gz SDQMJJCBEDSGFL-GDBMZVCRSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001485747297 917255000 /nfs/dbraw/zinc/25/50/00/917255000.db2.gz APHXZIHVUYSVDP-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001272816674 919698493 /nfs/dbraw/zinc/69/84/93/919698493.db2.gz CNVYULLQYISDBN-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568300479 1169230580 /nfs/dbraw/zinc/23/05/80/1169230580.db2.gz RQQIECWUHVJPAX-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486133535 920736633 /nfs/dbraw/zinc/73/66/33/920736633.db2.gz DIGLIFBVABYXLV-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001486128688 920757875 /nfs/dbraw/zinc/75/78/75/920757875.db2.gz KRVREXSNAWSOPB-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001489289185 926855438 /nfs/dbraw/zinc/85/54/38/926855438.db2.gz WFCKLJQDSXUINV-QLFBSQMISA-N 2 1 279.428 1.175 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490708238 927294216 /nfs/dbraw/zinc/29/42/16/927294216.db2.gz AQUZCKKLWSBVNY-UKRRQHHQSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568506563 1169340182 /nfs/dbraw/zinc/34/01/82/1169340182.db2.gz QRAXOGAKRBYVQC-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001568506563 1169340188 /nfs/dbraw/zinc/34/01/88/1169340188.db2.gz QRAXOGAKRBYVQC-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274034481 931133990 /nfs/dbraw/zinc/13/39/90/931133990.db2.gz FZGQAQRJLDEGKE-AZJURWTESA-N 2 1 279.428 1.555 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001319069764 931138066 /nfs/dbraw/zinc/13/80/66/931138066.db2.gz KUOFFAIXCJLETC-HZPDHXFCSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275629647 931916890 /nfs/dbraw/zinc/91/68/90/931916890.db2.gz NPRGUJQQMJOAOE-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275629647 931916893 /nfs/dbraw/zinc/91/68/93/931916893.db2.gz NPRGUJQQMJOAOE-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275629647 931916897 /nfs/dbraw/zinc/91/68/97/931916897.db2.gz NPRGUJQQMJOAOE-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC=C ZINC001275850161 932091871 /nfs/dbraw/zinc/09/18/71/932091871.db2.gz LFDKSCCEHHFDRM-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC=C ZINC001275850161 932091876 /nfs/dbraw/zinc/09/18/76/932091876.db2.gz LFDKSCCEHHFDRM-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC=C ZINC001275850161 932091881 /nfs/dbraw/zinc/09/18/81/932091881.db2.gz LFDKSCCEHHFDRM-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC=C ZINC001275850161 932091886 /nfs/dbraw/zinc/09/18/86/932091886.db2.gz LFDKSCCEHHFDRM-CVEARBPZSA-N 2 1 291.439 1.487 10 30 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CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001319711175 958695765 /nfs/dbraw/zinc/69/57/65/958695765.db2.gz HBFULTAXYMBGBA-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001322725184 960308537 /nfs/dbraw/zinc/30/85/37/960308537.db2.gz WJKWUNLOJCHBNW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382971 1169836076 /nfs/dbraw/zinc/83/60/76/1169836076.db2.gz IGACQGLLAHJMPZ-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH+]1CCC2(C1)CCN(C(=O)C[N@H+](C)C(C)C)CC2 ZINC001495605303 972548616 /nfs/dbraw/zinc/54/86/16/972548616.db2.gz GDPGAXFWLIVDKC-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001495605303 972548623 /nfs/dbraw/zinc/54/86/23/972548623.db2.gz GDPGAXFWLIVDKC-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001495605303 972548637 /nfs/dbraw/zinc/54/86/37/972548637.db2.gz 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ZINC001505438958 974878438 /nfs/dbraw/zinc/87/84/38/974878438.db2.gz RXUUEHDVXHNTBY-CQSZACIVSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001505438958 974878441 /nfs/dbraw/zinc/87/84/41/974878441.db2.gz RXUUEHDVXHNTBY-CQSZACIVSA-N 2 1 276.384 1.300 10 30 CDEEMP C#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001507013787 975296352 /nfs/dbraw/zinc/29/63/52/975296352.db2.gz ZQSBQHMIJMDINC-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001507148226 975354710 /nfs/dbraw/zinc/35/47/10/975354710.db2.gz LPDBAPZIOWDEEJ-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001492950256 976112418 /nfs/dbraw/zinc/11/24/18/976112418.db2.gz MEAQGILDVQDVRF-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001492950256 976112423 /nfs/dbraw/zinc/11/24/23/976112423.db2.gz MEAQGILDVQDVRF-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001492950256 976112428 /nfs/dbraw/zinc/11/24/28/976112428.db2.gz MEAQGILDVQDVRF-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001403378842 976923113 /nfs/dbraw/zinc/92/31/13/976923113.db2.gz WCTKFSNQTGSBTK-YNEHKIRRSA-N 2 1 287.835 1.564 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001677209082 1174334811 /nfs/dbraw/zinc/33/48/11/1174334811.db2.gz OIMBTALJJAJBEQ-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001677209082 1174334815 /nfs/dbraw/zinc/33/48/15/1174334815.db2.gz OIMBTALJJAJBEQ-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001677209082 1174334822 /nfs/dbraw/zinc/33/48/22/1174334822.db2.gz OIMBTALJJAJBEQ-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001570540225 1170183505 /nfs/dbraw/zinc/18/35/05/1170183505.db2.gz MGNALFNKNRRFAJ-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001570540225 1170183508 /nfs/dbraw/zinc/18/35/08/1170183508.db2.gz MGNALFNKNRRFAJ-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001570540225 1170183514 /nfs/dbraw/zinc/18/35/14/1170183514.db2.gz MGNALFNKNRRFAJ-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437669 342905927 /nfs/dbraw/zinc/90/59/27/342905927.db2.gz KKQYZAZONYWSMF-STQMWFEESA-N 2 1 268.405 1.244 10 30 CDEEMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437771 342905983 /nfs/dbraw/zinc/90/59/83/342905983.db2.gz PFICNWILOPWIGX-SOUVJXGZSA-N 2 1 292.427 1.340 10 30 CDEEMP CCO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000405245473 349782273 /nfs/dbraw/zinc/78/22/73/349782273.db2.gz HNDUMWQBDJEBAG-HUUCEWRRSA-N 2 1 259.353 1.354 10 30 CDEEMP CCO[C@@H]1C[N@@H+](Cc2ccc(C#N)cc2)C[C@H]1C[NH3+] ZINC000405245473 349782275 /nfs/dbraw/zinc/78/22/75/349782275.db2.gz HNDUMWQBDJEBAG-HUUCEWRRSA-N 2 1 259.353 1.354 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(C#N)c1 ZINC000596359662 343310019 /nfs/dbraw/zinc/31/00/19/343310019.db2.gz DHKUQFDKQZULQV-ZDUSSCGKSA-N 2 1 275.400 1.059 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)cc1F ZINC000596425831 343311961 /nfs/dbraw/zinc/31/19/61/343311961.db2.gz WKTQXBDLCUGWKU-UHFFFAOYSA-N 2 1 278.375 1.993 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)cc1F ZINC000596425831 343311963 /nfs/dbraw/zinc/31/19/63/343311963.db2.gz WKTQXBDLCUGWKU-UHFFFAOYSA-N 2 1 278.375 1.993 10 30 CDEEMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596651295 343371021 /nfs/dbraw/zinc/37/10/21/343371021.db2.gz MAGXVQXZIFAJML-BFHYXJOUSA-N 2 1 265.401 1.802 10 30 CDEEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)c(F)c1 ZINC000600708305 349876169 /nfs/dbraw/zinc/87/61/69/349876169.db2.gz LOPBBXFLNONYIO-NSHDSACASA-N 2 1 277.343 1.856 10 30 CDEEMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600720369 358705088 /nfs/dbraw/zinc/70/50/88/358705088.db2.gz OUDOQTIFLPROTQ-OCCSQVGLSA-N 2 1 276.384 1.472 10 30 CDEEMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396918 367824518 /nfs/dbraw/zinc/82/45/18/367824518.db2.gz QDNOVWAOBQVKQL-KBPBESRZSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396918 367824522 /nfs/dbraw/zinc/82/45/22/367824522.db2.gz QDNOVWAOBQVKQL-KBPBESRZSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528396918 367824524 /nfs/dbraw/zinc/82/45/24/367824524.db2.gz QDNOVWAOBQVKQL-KBPBESRZSA-N 2 1 265.401 1.315 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001661655075 1172422881 /nfs/dbraw/zinc/42/28/81/1172422881.db2.gz WZHPPQIXQZRPSK-XUWVNRHRSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001661748039 1172438737 /nfs/dbraw/zinc/43/87/37/1172438737.db2.gz LERIXYLPKUWBAE-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661748039 1172438739 /nfs/dbraw/zinc/43/87/39/1172438739.db2.gz LERIXYLPKUWBAE-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661748039 1172438743 /nfs/dbraw/zinc/43/87/43/1172438743.db2.gz LERIXYLPKUWBAE-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001662010916 1172477733 /nfs/dbraw/zinc/47/77/33/1172477733.db2.gz NSSAULDFXDLJPF-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001662010916 1172477740 /nfs/dbraw/zinc/47/77/40/1172477740.db2.gz NSSAULDFXDLJPF-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001662010916 1172477744 /nfs/dbraw/zinc/47/77/44/1172477744.db2.gz NSSAULDFXDLJPF-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCn1cc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)nn1 ZINC000655939462 412953182 /nfs/dbraw/zinc/95/31/82/412953182.db2.gz HORFHGQLBHHOEF-CQSZACIVSA-N 2 1 289.427 1.818 10 30 CDEEMP C=CC[C@]1(C(=O)NCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662702350 413347567 /nfs/dbraw/zinc/34/75/67/413347567.db2.gz ZFNQXHWZCVGMMY-CQSZACIVSA-N 2 1 262.357 1.006 10 30 CDEEMP C=CC[C@@]1(C(=O)NCCCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662742688 413416379 /nfs/dbraw/zinc/41/63/79/413416379.db2.gz GGVAKOBWSXZSOS-INIZCTEOSA-N 2 1 290.411 1.786 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754964 413438660 /nfs/dbraw/zinc/43/86/60/413438660.db2.gz WLLKTMXWWMSFEN-WOSRLPQWSA-N 2 1 277.412 1.426 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)[C@@H]1CCSC1 ZINC000043683649 175092003 /nfs/dbraw/zinc/09/20/03/175092003.db2.gz CDPZDHNHGLTOIA-LLVKDONJSA-N 2 1 266.435 1.996 10 30 CDEEMP CC(C)C[N@H+](CCC[C@](C)([NH3+])C#N)CCN(C)C ZINC000045313973 175357082 /nfs/dbraw/zinc/35/70/82/175357082.db2.gz UTPZDCMNFIMZOR-AWEZNQCLSA-N 2 1 254.422 1.527 10 30 CDEEMP CC(C)C[N@@H+](CCC[C@](C)([NH3+])C#N)CCN(C)C ZINC000045313973 175357083 /nfs/dbraw/zinc/35/70/83/175357083.db2.gz UTPZDCMNFIMZOR-AWEZNQCLSA-N 2 1 254.422 1.527 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584511 1173294142 /nfs/dbraw/zinc/29/41/42/1173294142.db2.gz BLCVGNAYARVBEF-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584511 1173294149 /nfs/dbraw/zinc/29/41/49/1173294149.db2.gz BLCVGNAYARVBEF-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@H]21 ZINC001667694079 1173312003 /nfs/dbraw/zinc/31/20/03/1173312003.db2.gz LOPLANZKKDGSED-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667694079 1173312010 /nfs/dbraw/zinc/31/20/10/1173312010.db2.gz LOPLANZKKDGSED-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@H]21 ZINC001667694079 1173312019 /nfs/dbraw/zinc/31/20/19/1173312019.db2.gz LOPLANZKKDGSED-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001667692813 1173312598 /nfs/dbraw/zinc/31/25/98/1173312598.db2.gz CZMMUVJEMCJAPK-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCCC1 ZINC001671518223 1173684999 /nfs/dbraw/zinc/68/49/99/1173684999.db2.gz DEGDOSVJRSCLOO-HZPDHXFCSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH+]1CC[C@]2(C1)CCCN(C(=O)C[N@H+](C)C(C)C)C2 ZINC001673650963 1173873486 /nfs/dbraw/zinc/87/34/86/1173873486.db2.gz POZAFJBCQAQDTH-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001673650963 1173873489 /nfs/dbraw/zinc/87/34/89/1173873489.db2.gz POZAFJBCQAQDTH-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001673650963 1173873494 /nfs/dbraw/zinc/87/34/94/1173873494.db2.gz POZAFJBCQAQDTH-KRWDZBQOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001691451554 1159310005 /nfs/dbraw/zinc/31/00/05/1159310005.db2.gz GZDPSCMFTIOXFT-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001481196568 1159552692 /nfs/dbraw/zinc/55/26/92/1159552692.db2.gz KPWADOLFUQFFLS-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001481196568 1159552700 /nfs/dbraw/zinc/55/27/00/1159552700.db2.gz KPWADOLFUQFFLS-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001481196568 1159552708 /nfs/dbraw/zinc/55/27/08/1159552708.db2.gz KPWADOLFUQFFLS-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001700882828 1160054780 /nfs/dbraw/zinc/05/47/80/1160054780.db2.gz PBEHDBLQZFYKBT-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678049602 482910561 /nfs/dbraw/zinc/91/05/61/482910561.db2.gz MQBSBAAGLANERK-BPUTZDHNSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000678049602 482910562 /nfs/dbraw/zinc/91/05/62/482910562.db2.gz MQBSBAAGLANERK-BPUTZDHNSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000678049602 482910566 /nfs/dbraw/zinc/91/05/66/482910566.db2.gz MQBSBAAGLANERK-BPUTZDHNSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000678049602 482910570 /nfs/dbraw/zinc/91/05/70/482910570.db2.gz MQBSBAAGLANERK-BPUTZDHNSA-N 2 1 264.413 1.872 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001486378689 1161453759 /nfs/dbraw/zinc/45/37/59/1161453759.db2.gz OOQZEQQURGUHCM-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001731498471 1182420595 /nfs/dbraw/zinc/42/05/95/1182420595.db2.gz NCCFRTKCLKWGKQ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCCC[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354874127 527249685 /nfs/dbraw/zinc/24/96/85/527249685.db2.gz HUAOBACKPQYWIJ-MRXNPFEDSA-N 2 1 296.455 1.890 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001689083650 1175095714 /nfs/dbraw/zinc/09/57/14/1175095714.db2.gz NUSBCRSCLYQAOZ-QLFBSQMISA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C/C=C\Cl ZINC001689807972 1175265436 /nfs/dbraw/zinc/26/54/36/1175265436.db2.gz OPDMUMMAGGUATO-PODYEWJSSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C/C=C\Cl ZINC001689807972 1175265440 /nfs/dbraw/zinc/26/54/40/1175265440.db2.gz OPDMUMMAGGUATO-PODYEWJSSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C\Cl ZINC001689807972 1175265447 /nfs/dbraw/zinc/26/54/47/1175265447.db2.gz OPDMUMMAGGUATO-PODYEWJSSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C/C=C\Cl ZINC001689807972 1175265452 /nfs/dbraw/zinc/26/54/52/1175265452.db2.gz OPDMUMMAGGUATO-PODYEWJSSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001690281705 1175423499 /nfs/dbraw/zinc/42/34/99/1175423499.db2.gz HGGHAMDLXLBXTL-JYJNAYRXSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941032277 613225669 /nfs/dbraw/zinc/22/56/69/613225669.db2.gz GWWNSBTYONPDSZ-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941032277 613225671 /nfs/dbraw/zinc/22/56/71/613225671.db2.gz GWWNSBTYONPDSZ-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941032277 613225673 /nfs/dbraw/zinc/22/56/73/613225673.db2.gz GWWNSBTYONPDSZ-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618160 613335707 /nfs/dbraw/zinc/33/57/07/613335707.db2.gz PHUBXVZYZROFDG-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618160 613335708 /nfs/dbraw/zinc/33/57/08/613335708.db2.gz PHUBXVZYZROFDG-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618160 613335709 /nfs/dbraw/zinc/33/57/09/613335709.db2.gz PHUBXVZYZROFDG-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733430 617598710 /nfs/dbraw/zinc/59/87/10/617598710.db2.gz SNOUTCYNFXDIFE-KFWWJZLASA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733430 617598714 /nfs/dbraw/zinc/59/87/14/617598714.db2.gz SNOUTCYNFXDIFE-KFWWJZLASA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733430 617598718 /nfs/dbraw/zinc/59/87/18/617598718.db2.gz SNOUTCYNFXDIFE-KFWWJZLASA-N 2 1 277.412 1.315 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000900216885 622809639 /nfs/dbraw/zinc/80/96/39/622809639.db2.gz YONCXXBGLZSICW-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C)COC ZINC000903768196 626085328 /nfs/dbraw/zinc/08/53/28/626085328.db2.gz LTUVXMQFEGNSQW-SOUVJXGZSA-N 2 1 268.401 1.278 10 30 CDEEMP C=CC[C@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903934049 626153235 /nfs/dbraw/zinc/15/32/35/626153235.db2.gz ZMTXWNFEMMEYKY-GJZGRUSLSA-N 2 1 289.427 1.991 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699933689 1158848733 /nfs/dbraw/zinc/84/87/33/1158848733.db2.gz JABRUKXJIGCTHP-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)C(C)C ZINC001691417043 1159065026 /nfs/dbraw/zinc/06/50/26/1159065026.db2.gz STKLMBNKTIBLGW-ZDUSSCGKSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)C(C)C ZINC001691417043 1159065035 /nfs/dbraw/zinc/06/50/35/1159065035.db2.gz STKLMBNKTIBLGW-ZDUSSCGKSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417043 1159065042 /nfs/dbraw/zinc/06/50/42/1159065042.db2.gz STKLMBNKTIBLGW-ZDUSSCGKSA-N 2 1 253.390 1.045 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)C(C)C ZINC001691417043 1159065048 /nfs/dbraw/zinc/06/50/48/1159065048.db2.gz STKLMBNKTIBLGW-ZDUSSCGKSA-N 2 1 253.390 1.045 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001670521709 1158629188 /nfs/dbraw/zinc/62/91/88/1158629188.db2.gz AWLMSOHLGJGEDN-ZBFHGGJFSA-N 2 1 293.455 1.779 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267439582 1159377742 /nfs/dbraw/zinc/37/77/42/1159377742.db2.gz NQGMKLUIZIOJIZ-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482290738 1160110702 /nfs/dbraw/zinc/11/07/02/1160110702.db2.gz AMCMJMPRUWPWAV-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271206503 1160312557 /nfs/dbraw/zinc/31/25/57/1160312557.db2.gz GKJBDIHDAIJSSV-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691845618 1161490117 /nfs/dbraw/zinc/49/01/17/1161490117.db2.gz HXDLEPOLRHTBHS-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691845618 1161490119 /nfs/dbraw/zinc/49/01/19/1161490119.db2.gz HXDLEPOLRHTBHS-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691845618 1161490122 /nfs/dbraw/zinc/49/01/22/1161490122.db2.gz HXDLEPOLRHTBHS-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001691671142 1161500399 /nfs/dbraw/zinc/50/03/99/1161500399.db2.gz ASEBDZKARYZWGC-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567498381 1168814722 /nfs/dbraw/zinc/81/47/22/1168814722.db2.gz GGNNTUNGJZGFAC-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC1 ZINC001569211024 1169722926 /nfs/dbraw/zinc/72/29/26/1169722926.db2.gz LHVCIGGHXOCHAH-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC1 ZINC001569211024 1169722934 /nfs/dbraw/zinc/72/29/34/1169722934.db2.gz LHVCIGGHXOCHAH-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001569980834 1170052352 /nfs/dbraw/zinc/05/23/52/1170052352.db2.gz NHLIGAXBOWHPJR-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001570543673 1170185786 /nfs/dbraw/zinc/18/57/86/1170185786.db2.gz LGMVOMZLJNTQGP-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001570543673 1170185790 /nfs/dbraw/zinc/18/57/90/1170185790.db2.gz LGMVOMZLJNTQGP-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)CCC ZINC001570543673 1170185794 /nfs/dbraw/zinc/18/57/94/1170185794.db2.gz LGMVOMZLJNTQGP-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001661097257 1172332464 /nfs/dbraw/zinc/33/24/64/1172332464.db2.gz MDQCGHYQGQIDAX-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001661891428 1172461153 /nfs/dbraw/zinc/46/11/53/1172461153.db2.gz ZJHRPWXSAMDEIV-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001661891428 1172461159 /nfs/dbraw/zinc/46/11/59/1172461159.db2.gz ZJHRPWXSAMDEIV-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001661891428 1172461167 /nfs/dbraw/zinc/46/11/67/1172461167.db2.gz ZJHRPWXSAMDEIV-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001666606296 1173161176 /nfs/dbraw/zinc/16/11/76/1173161176.db2.gz YJGAUIWGSWMJAQ-JKSUJKDBSA-N 2 1 293.455 1.474 10 30 CDEEMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001690559128 1175500284 /nfs/dbraw/zinc/50/02/84/1175500284.db2.gz HQCXXZQPNZKHND-RDJZCZTQSA-N 2 1 299.418 1.227 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001690574546 1175509368 /nfs/dbraw/zinc/50/93/68/1175509368.db2.gz CKYCWCVDJYQWBQ-OLZOCXBDSA-N 2 1 253.390 1.140 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691876061 1175643298 /nfs/dbraw/zinc/64/32/98/1175643298.db2.gz RSHNSQNRAISWRK-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691876061 1175643300 /nfs/dbraw/zinc/64/33/00/1175643300.db2.gz RSHNSQNRAISWRK-HOTGVXAUSA-N 2 1 293.455 1.875 10 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/nfs/dbraw/zinc/86/00/31/907860031.db2.gz KSOADKFJIIXUGZ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC ZINC001482603580 907860053 /nfs/dbraw/zinc/86/00/53/907860053.db2.gz KSOADKFJIIXUGZ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCCC ZINC001482603580 907860064 /nfs/dbraw/zinc/86/00/64/907860064.db2.gz KSOADKFJIIXUGZ-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482899489 908466956 /nfs/dbraw/zinc/46/69/56/908466956.db2.gz QICORTMCZZKVDI-NWDGAFQWSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001567974159 1169102188 /nfs/dbraw/zinc/10/21/88/1169102188.db2.gz TVPPMAXLOYQWBJ-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483339644 910932827 /nfs/dbraw/zinc/93/28/27/910932827.db2.gz JKWAIWJTUKADEW-BFHYXJOUSA-N 2 1 267.417 1.339 10 30 CDEEMP 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CDEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485247122 916704830 /nfs/dbraw/zinc/70/48/30/916704830.db2.gz MYNJMCPGKPNADW-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272782295 919268440 /nfs/dbraw/zinc/26/84/40/919268440.db2.gz NFFQQUVBOWBXNR-JHJVBQTASA-N 2 1 287.835 1.564 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493240192 936620970 /nfs/dbraw/zinc/62/09/70/936620970.db2.gz PDIVGLAYHMJAHH-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493240192 936620971 /nfs/dbraw/zinc/62/09/71/936620971.db2.gz PDIVGLAYHMJAHH-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493240192 936620972 /nfs/dbraw/zinc/62/09/72/936620972.db2.gz PDIVGLAYHMJAHH-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001486093042 920692230 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C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001274633435 931526205 /nfs/dbraw/zinc/52/62/05/931526205.db2.gz JWTOOSDJSGPGTP-UONOGXRCSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001275160710 931684264 /nfs/dbraw/zinc/68/42/64/931684264.db2.gz PPWIKATXFCICQQ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001275160710 931684266 /nfs/dbraw/zinc/68/42/66/931684266.db2.gz PPWIKATXFCICQQ-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921357 932135421 /nfs/dbraw/zinc/13/54/21/932135421.db2.gz SKHKMJROEIWJLR-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001276970184 941750351 /nfs/dbraw/zinc/75/03/51/941750351.db2.gz MWCHAHBKSKOZOQ-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001276970184 941750354 /nfs/dbraw/zinc/75/03/54/941750354.db2.gz MWCHAHBKSKOZOQ-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001279582453 942395626 /nfs/dbraw/zinc/39/56/26/942395626.db2.gz OVBVNVOCYXVBPT-INIZCTEOSA-N 2 1 291.439 1.795 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001279582453 942395633 /nfs/dbraw/zinc/39/56/33/942395633.db2.gz OVBVNVOCYXVBPT-INIZCTEOSA-N 2 1 291.439 1.795 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001280777641 942484316 /nfs/dbraw/zinc/48/43/16/942484316.db2.gz UJCYYSJPIHINRH-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001281963898 942639018 /nfs/dbraw/zinc/63/90/18/942639018.db2.gz ABUGNMDQWOCUJK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001281963898 942639023 /nfs/dbraw/zinc/63/90/23/942639023.db2.gz ABUGNMDQWOCUJK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)CC ZINC001281963898 942639024 /nfs/dbraw/zinc/63/90/24/942639024.db2.gz ABUGNMDQWOCUJK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001283239810 942864259 /nfs/dbraw/zinc/86/42/59/942864259.db2.gz PGUSOVCSHIGMCV-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001263815456 943985117 /nfs/dbraw/zinc/98/51/17/943985117.db2.gz YRCRKVGNXUMVMV-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001264994811 944196016 /nfs/dbraw/zinc/19/60/16/944196016.db2.gz JWMGLWBDNUJFLF-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001265443287 944388766 /nfs/dbraw/zinc/38/87/66/944388766.db2.gz WJZWKUSGQFKUQZ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265917182 944572616 /nfs/dbraw/zinc/57/26/16/944572616.db2.gz GAHBVMOOACXHDN-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP 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AAZAZTCGZPKAMP-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+](C)CCN(C(=O)Cc1ncc[nH]1)C(C)C ZINC001278926442 948265543 /nfs/dbraw/zinc/26/55/43/948265543.db2.gz MSHCISXHAKWDNJ-UHFFFAOYSA-N 2 1 278.400 1.697 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C(C)(C)C ZINC001278988332 948503771 /nfs/dbraw/zinc/50/37/71/948503771.db2.gz DHOUDQVIKVATBW-KGLIPLIRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001278535360 949792291 /nfs/dbraw/zinc/79/22/91/949792291.db2.gz HDJAFZIPRBBQFI-ZOBUZTSGSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001480616193 971810165 /nfs/dbraw/zinc/81/01/65/971810165.db2.gz IMGWHGLYOWFEED-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001317165578 953497534 /nfs/dbraw/zinc/49/75/34/953497534.db2.gz IPNGDRRMYYWRBV-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP 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C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001569481422 1169891353 /nfs/dbraw/zinc/89/13/53/1169891353.db2.gz VTOHYAKEJFWKEY-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001496054463 972776906 /nfs/dbraw/zinc/77/69/06/972776906.db2.gz GYTZMXLCHHHGIN-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497222271 973251408 /nfs/dbraw/zinc/25/14/08/973251408.db2.gz VGVSGPDTFNLHKI-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001502375101 974727782 /nfs/dbraw/zinc/72/77/82/974727782.db2.gz DOIOPGBQJLZMNQ-UHFFFAOYSA-N 2 1 283.460 1.931 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001502375101 974727787 /nfs/dbraw/zinc/72/77/87/974727787.db2.gz DOIOPGBQJLZMNQ-UHFFFAOYSA-N 2 1 283.460 1.931 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001503577623 974824719 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C#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714868880 1179430784 /nfs/dbraw/zinc/43/07/84/1179430784.db2.gz XVPDPLNVQMVDNA-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001714868880 1179430777 /nfs/dbraw/zinc/43/07/77/1179430777.db2.gz XVPDPLNVQMVDNA-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001714868880 1179430781 /nfs/dbraw/zinc/43/07/81/1179430781.db2.gz XVPDPLNVQMVDNA-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001715492581 1179681934 /nfs/dbraw/zinc/68/19/34/1179681934.db2.gz QQPLEXUIGPKUSD-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715712001 1179772604 /nfs/dbraw/zinc/77/26/04/1179772604.db2.gz GSTQZQUJRSIOKE-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715711998 1179772815 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10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001716668123 1180352248 /nfs/dbraw/zinc/35/22/48/1180352248.db2.gz OAYGPPRWPROOKJ-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001716681679 1180366177 /nfs/dbraw/zinc/36/61/77/1180366177.db2.gz UUPDCEOIMCKYLX-CQSZACIVSA-N 2 1 277.412 1.121 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001716789774 1180416057 /nfs/dbraw/zinc/41/60/57/1180416057.db2.gz FOJXQMMJSOBLRJ-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001717337479 1180620714 /nfs/dbraw/zinc/62/07/14/1180620714.db2.gz KWRMGQLNYOWQCN-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001717456522 1180679308 /nfs/dbraw/zinc/67/93/08/1180679308.db2.gz AFFZEXWSEKWKIE-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001717588071 1180751071 /nfs/dbraw/zinc/75/10/71/1180751071.db2.gz SBRXSNCMNKPRPE-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717588071 1180751077 /nfs/dbraw/zinc/75/10/77/1180751077.db2.gz SBRXSNCMNKPRPE-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717588071 1180751081 /nfs/dbraw/zinc/75/10/81/1180751081.db2.gz SBRXSNCMNKPRPE-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001717957592 1180946966 /nfs/dbraw/zinc/94/69/66/1180946966.db2.gz IMCXJNJXNJJSJJ-UONOGXRCSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001717957592 1180946970 /nfs/dbraw/zinc/94/69/70/1180946970.db2.gz IMCXJNJXNJJSJJ-UONOGXRCSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001723748938 1181600366 /nfs/dbraw/zinc/60/03/66/1181600366.db2.gz WHDQUCJJBPNJSY-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001724188176 1181649138 /nfs/dbraw/zinc/64/91/38/1181649138.db2.gz HDTOOYPTZJUNCQ-KRWDZBQOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001724589124 1181700230 /nfs/dbraw/zinc/70/02/30/1181700230.db2.gz YHXBIRUKXLPPLK-KBPBESRZSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001724849866 1181774703 /nfs/dbraw/zinc/77/47/03/1181774703.db2.gz ASZQZTSPXQTOAO-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001724849866 1181774707 /nfs/dbraw/zinc/77/47/07/1181774707.db2.gz ASZQZTSPXQTOAO-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001724849866 1181774711 /nfs/dbraw/zinc/77/47/11/1181774711.db2.gz ASZQZTSPXQTOAO-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCC1 ZINC001725194544 1181918036 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MDDGZJNBYDTOCX-YQQAZPJKSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001725636425 1182080689 /nfs/dbraw/zinc/08/06/89/1182080689.db2.gz QZXFJEFELZTAFJ-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C ZINC001725752077 1182121241 /nfs/dbraw/zinc/12/12/41/1182121241.db2.gz LAIOVSXCBZRTIG-HNNXBMFYSA-N 2 1 295.471 1.862 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001731698474 1182522543 /nfs/dbraw/zinc/52/25/43/1182522543.db2.gz IJPCDZRTQBOKRP-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731831267 1182613461 /nfs/dbraw/zinc/61/34/61/1182613461.db2.gz HOYLRVZFADYPKQ-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731831267 1182613463 /nfs/dbraw/zinc/61/34/63/1182613463.db2.gz HOYLRVZFADYPKQ-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731849841 1182626368 /nfs/dbraw/zinc/62/63/68/1182626368.db2.gz UJZRVSNTZOVVQN-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001731849841 1182626372 /nfs/dbraw/zinc/62/63/72/1182626372.db2.gz UJZRVSNTZOVVQN-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001731861087 1182633866 /nfs/dbraw/zinc/63/38/66/1182633866.db2.gz QVZWOCDUYSKNDS-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001731861087 1182633870 /nfs/dbraw/zinc/63/38/70/1182633870.db2.gz QVZWOCDUYSKNDS-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001731875933 1182644058 /nfs/dbraw/zinc/64/40/58/1182644058.db2.gz WPJXADGRRCCCRH-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001731875933 1182644062 /nfs/dbraw/zinc/64/40/62/1182644062.db2.gz WPJXADGRRCCCRH-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001731875933 1182644066 /nfs/dbraw/zinc/64/40/66/1182644066.db2.gz WPJXADGRRCCCRH-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731994938 1182718255 /nfs/dbraw/zinc/71/82/55/1182718255.db2.gz TVGDXPTYZDFBPU-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001732078753 1182755642 /nfs/dbraw/zinc/75/56/42/1182755642.db2.gz BEJTWFONFGODOC-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001733050011 1183264081 /nfs/dbraw/zinc/26/40/81/1183264081.db2.gz NYFQYKVIXKWJOX-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001733050011 1183264083 /nfs/dbraw/zinc/26/40/83/1183264083.db2.gz NYFQYKVIXKWJOX-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001733050011 1183264087 /nfs/dbraw/zinc/26/40/87/1183264087.db2.gz NYFQYKVIXKWJOX-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001733167559 1183312721 /nfs/dbraw/zinc/31/27/21/1183312721.db2.gz WQHSMEIUXWIFPT-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733678396 1183495635 /nfs/dbraw/zinc/49/56/35/1183495635.db2.gz XDKGHRLFXACJDA-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C[C@@H](C)n1ccnc1 ZINC001733778828 1183530500 /nfs/dbraw/zinc/53/05/00/1183530500.db2.gz NRFIEZDLWBVJOF-CQSZACIVSA-N 2 1 276.384 1.248 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001734494903 1183801353 /nfs/dbraw/zinc/80/13/53/1183801353.db2.gz DIMBIFQDBVKZKU-RBSFLKMASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001734508542 1183802525 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C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001482499404 906676567 /nfs/dbraw/zinc/67/65/67/906676567.db2.gz QAXRBZVGTQGLSG-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567914183 1169062427 /nfs/dbraw/zinc/06/24/27/1169062427.db2.gz ARFLMWKDCMKRHT-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914183 1169062443 /nfs/dbraw/zinc/06/24/43/1169062443.db2.gz ARFLMWKDCMKRHT-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001482587055 907436145 /nfs/dbraw/zinc/43/61/45/907436145.db2.gz XBTJJCYICJMZLU-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001482587055 907436147 /nfs/dbraw/zinc/43/61/47/907436147.db2.gz XBTJJCYICJMZLU-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001482587055 907436140 /nfs/dbraw/zinc/43/61/40/907436140.db2.gz XBTJJCYICJMZLU-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914183 1169062417 /nfs/dbraw/zinc/06/24/17/1169062417.db2.gz ARFLMWKDCMKRHT-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483260004 910749492 /nfs/dbraw/zinc/74/94/92/910749492.db2.gz WXQWTDQXMOPFHA-AVGNSLFASA-N 2 1 287.835 1.564 10 30 CDEEMP C#CC[NH+]1CCC(CCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001568131318 1169143094 /nfs/dbraw/zinc/14/30/94/1169143094.db2.gz AFUJDTWAKIBOTA-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001483952033 915234537 /nfs/dbraw/zinc/23/45/37/915234537.db2.gz PEWLFJDHQRYPOE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001484528447 915858810 /nfs/dbraw/zinc/85/88/10/915858810.db2.gz ADZAZJYVCHUUGJ-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 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293.455 1.424 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001272837869 919893447 /nfs/dbraw/zinc/89/34/47/919893447.db2.gz MXCQKLXFCVEDNM-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001493240194 936621283 /nfs/dbraw/zinc/62/12/83/936621283.db2.gz PDIVGLAYHMJAHH-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493240194 936621284 /nfs/dbraw/zinc/62/12/84/936621284.db2.gz PDIVGLAYHMJAHH-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001493240194 936621285 /nfs/dbraw/zinc/62/12/85/936621285.db2.gz PDIVGLAYHMJAHH-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001486129741 920733662 /nfs/dbraw/zinc/73/36/62/920733662.db2.gz OEQAYFDCSQHZKX-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001491121125 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293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001274841605 931592800 /nfs/dbraw/zinc/59/28/00/931592800.db2.gz WTCWETLZMQBZBA-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001568768714 1169468440 /nfs/dbraw/zinc/46/84/40/1169468440.db2.gz CZPMWDCQGIGGNA-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001280369810 942431845 /nfs/dbraw/zinc/43/18/45/942431845.db2.gz JJPFRLGADIRHNC-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001280769678 942484226 /nfs/dbraw/zinc/48/42/26/942484226.db2.gz JJIKQBNRGDMZOB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001277441982 942579247 /nfs/dbraw/zinc/57/92/47/942579247.db2.gz WIKCTIDQQHDDQR-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001282484357 942721607 /nfs/dbraw/zinc/72/16/07/942721607.db2.gz CHHBOCHGIBZYEJ-ZIAGYGMSSA-N 2 1 267.417 1.032 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001282928931 942780708 /nfs/dbraw/zinc/78/07/08/942780708.db2.gz MVKYRZNIDDODBW-GJZGRUSLSA-N 2 1 297.443 1.108 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001277663375 943269437 /nfs/dbraw/zinc/26/94/37/943269437.db2.gz WKRQOXRXKUPUOC-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001263878494 944017836 /nfs/dbraw/zinc/01/78/36/944017836.db2.gz ZWZWRVLPXBJXSO-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001264169421 944090257 /nfs/dbraw/zinc/09/02/57/944090257.db2.gz HNGKKVSHSWNKHL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001264169421 944090247 /nfs/dbraw/zinc/09/02/47/944090247.db2.gz HNGKKVSHSWNKHL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001264169421 944090262 /nfs/dbraw/zinc/09/02/62/944090262.db2.gz HNGKKVSHSWNKHL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371080 944114541 /nfs/dbraw/zinc/11/45/41/944114541.db2.gz PCRNPOHEYLVEAS-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)c1cccc2nccn21 ZINC001265011588 944200519 /nfs/dbraw/zinc/20/05/19/944200519.db2.gz UCBIJJXTITXRPT-UHFFFAOYSA-N 2 1 284.363 1.409 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001265395334 944372609 /nfs/dbraw/zinc/37/26/09/944372609.db2.gz UOWVJTXSMGETCX-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001281767758 944520962 /nfs/dbraw/zinc/52/09/62/944520962.db2.gz AEJZBEWXZHKQBQ-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265979677 944612349 /nfs/dbraw/zinc/61/23/49/944612349.db2.gz QRSIPDVWGIBQOT-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001266107426 944686898 /nfs/dbraw/zinc/68/68/98/944686898.db2.gz COMGVXJXXUEFTJ-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266107426 944686904 /nfs/dbraw/zinc/68/69/04/944686904.db2.gz COMGVXJXXUEFTJ-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001266107426 944686910 /nfs/dbraw/zinc/68/69/10/944686910.db2.gz COMGVXJXXUEFTJ-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001479815707 971434786 /nfs/dbraw/zinc/43/47/86/971434786.db2.gz LMSPPAMIEFZPIW-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001479815707 971434793 /nfs/dbraw/zinc/43/47/93/971434793.db2.gz LMSPPAMIEFZPIW-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+](C)C)C1 ZINC001278420980 947846693 /nfs/dbraw/zinc/84/66/93/947846693.db2.gz QUWXINNKDUMZHU-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001278434519 948000753 /nfs/dbraw/zinc/00/07/53/948000753.db2.gz QYXFAGMWNXVYCI-INIZCTEOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H](C)Cc1cnc[nH]1)C1CC1 ZINC001480053559 971554832 /nfs/dbraw/zinc/55/48/32/971554832.db2.gz NPCGRIDAEPMCSF-SMDDNHRTSA-N 2 1 276.384 1.259 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001480102438 971576910 /nfs/dbraw/zinc/57/69/10/971576910.db2.gz GJLWPXLHNRWLEC-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001480102438 971576919 /nfs/dbraw/zinc/57/69/19/971576919.db2.gz GJLWPXLHNRWLEC-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001480102438 971576931 /nfs/dbraw/zinc/57/69/31/971576931.db2.gz GJLWPXLHNRWLEC-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001480763879 971870204 /nfs/dbraw/zinc/87/02/04/971870204.db2.gz NIUUZUQKHMUJDC-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)C ZINC001480770621 971872995 /nfs/dbraw/zinc/87/29/95/971872995.db2.gz HAOJWMMYQGIPIS-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC(C)C ZINC001480770621 971872999 /nfs/dbraw/zinc/87/29/99/971872999.db2.gz HAOJWMMYQGIPIS-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001569136614 1169682347 /nfs/dbraw/zinc/68/23/47/1169682347.db2.gz VWXGUUHFWFXYSR-UONOGXRCSA-N 2 1 269.433 1.585 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480817133 971892543 /nfs/dbraw/zinc/89/25/43/971892543.db2.gz AWPASOJWIANODR-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480817133 971892548 /nfs/dbraw/zinc/89/25/48/971892548.db2.gz AWPASOJWIANODR-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480817133 971892553 /nfs/dbraw/zinc/89/25/53/971892553.db2.gz AWPASOJWIANODR-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001493244918 971994021 /nfs/dbraw/zinc/99/40/21/971994021.db2.gz UPPLZESCHGZGGU-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001492044283 955592932 /nfs/dbraw/zinc/59/29/32/955592932.db2.gz TZMCHJYGXDHLST-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001493806868 972117513 /nfs/dbraw/zinc/11/75/13/972117513.db2.gz QZMKJUFJADCHJX-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(C)C)CC1 ZINC001329625466 956031997 /nfs/dbraw/zinc/03/19/97/956031997.db2.gz VZMQXBFTVHWYAO-OAHLLOKOSA-N 2 1 293.455 1.424 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001329625444 956032367 /nfs/dbraw/zinc/03/23/67/956032367.db2.gz VRDGZKLGGSLDFA-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001422662127 956239284 /nfs/dbraw/zinc/23/92/84/956239284.db2.gz QAYJUKVGEZEAJV-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316858029 956528584 /nfs/dbraw/zinc/52/85/84/956528584.db2.gz AKAUBFZIJSPUAU-UHFFFAOYSA-N 2 1 285.819 1.273 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001316858029 956528591 /nfs/dbraw/zinc/52/85/91/956528591.db2.gz AKAUBFZIJSPUAU-UHFFFAOYSA-N 2 1 285.819 1.273 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]2C1 ZINC001316758139 956876242 /nfs/dbraw/zinc/87/62/42/956876242.db2.gz PGTZSXMAQIMOBT-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001316758139 956876251 /nfs/dbraw/zinc/87/62/51/956876251.db2.gz PGTZSXMAQIMOBT-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)C[C@@H]2C1 ZINC001316758139 956876263 /nfs/dbraw/zinc/87/62/63/956876263.db2.gz PGTZSXMAQIMOBT-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001331212607 956890126 /nfs/dbraw/zinc/89/01/26/956890126.db2.gz WTDQXNRUBRIRAV-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH2+][C@H](CCNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001331225813 956898516 /nfs/dbraw/zinc/89/85/16/956898516.db2.gz LNYCXFVUASWCKL-CQSZACIVSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316980724 957176886 /nfs/dbraw/zinc/17/68/86/957176886.db2.gz CTYUPABLDPKUJZ-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316980724 957176896 /nfs/dbraw/zinc/17/68/96/957176896.db2.gz CTYUPABLDPKUJZ-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316980724 957176905 /nfs/dbraw/zinc/17/69/05/957176905.db2.gz CTYUPABLDPKUJZ-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001316986171 957184630 /nfs/dbraw/zinc/18/46/30/957184630.db2.gz ORSUUFNPSRKLBS-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001316986171 957184640 /nfs/dbraw/zinc/18/46/40/957184640.db2.gz ORSUUFNPSRKLBS-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001316986171 957184649 /nfs/dbraw/zinc/18/46/49/957184649.db2.gz ORSUUFNPSRKLBS-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317113766 957280861 /nfs/dbraw/zinc/28/08/61/957280861.db2.gz PIZQKTCDDMWCIE-XHSDSOJGSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317449881 957483253 /nfs/dbraw/zinc/48/32/53/957483253.db2.gz ZQCADKBETJFHNY-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317479866 957501797 /nfs/dbraw/zinc/50/17/97/957501797.db2.gz MOBMJRMLHKQCPS-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317479866 957501801 /nfs/dbraw/zinc/50/18/01/957501801.db2.gz MOBMJRMLHKQCPS-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001317479866 957501806 /nfs/dbraw/zinc/50/18/06/957501806.db2.gz MOBMJRMLHKQCPS-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317479867 957502716 /nfs/dbraw/zinc/50/27/16/957502716.db2.gz MOBMJRMLHKQCPS-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317479867 957502719 /nfs/dbraw/zinc/50/27/19/957502719.db2.gz MOBMJRMLHKQCPS-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001317479867 957502722 /nfs/dbraw/zinc/50/27/22/957502722.db2.gz MOBMJRMLHKQCPS-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317491582 957509498 /nfs/dbraw/zinc/50/94/98/957509498.db2.gz BLWCSVUCKKDPJG-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317789520 957667318 /nfs/dbraw/zinc/66/73/18/957667318.db2.gz ORAVBOGJLXCTPJ-CABCVRRESA-N 2 1 281.444 1.587 10 30 CDEEMP C#CCC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001317881930 957709064 /nfs/dbraw/zinc/70/90/64/957709064.db2.gz MBVGEBSWRYXTIW-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001319793362 958731256 /nfs/dbraw/zinc/73/12/56/958731256.db2.gz UUCZPBKKKMJNHV-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CC(=C)C)CC1 ZINC001320089437 958930610 /nfs/dbraw/zinc/93/06/10/958930610.db2.gz AOIMLZPBTJSWDT-UHFFFAOYSA-N 2 1 291.439 1.298 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001320548170 959231975 /nfs/dbraw/zinc/23/19/75/959231975.db2.gz JPANIHGVKFFCJP-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001321067248 959573831 /nfs/dbraw/zinc/57/38/31/959573831.db2.gz SVBVWHQQBYKUHU-PSKZRQQASA-N 2 1 288.395 1.292 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321097535 959589995 /nfs/dbraw/zinc/58/99/95/959589995.db2.gz OZKGLXJPSMPZBU-IYKSTZQJSA-N 2 1 277.412 1.146 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001321755871 959934124 /nfs/dbraw/zinc/93/41/24/959934124.db2.gz HTFVOFPZXPNWFV-ZBFHGGJFSA-N 2 1 287.407 1.407 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001321878966 959999599 /nfs/dbraw/zinc/99/95/99/959999599.db2.gz WNFALHSVYMPMTQ-QJPTWQEYSA-N 2 1 262.357 1.184 10 30 CDEEMP C=CC[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2C)cc1 ZINC001495497653 972522268 /nfs/dbraw/zinc/52/22/68/972522268.db2.gz LLINCUHCGCJYID-UHFFFAOYSA-N 2 1 298.390 1.784 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001324234743 961250116 /nfs/dbraw/zinc/25/01/16/961250116.db2.gz HJVJLBXYKCSOEV-AWEZNQCLSA-N 2 1 288.395 1.220 10 30 CDEEMP C=CCC[NH+]1CC(N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001569499719 1169901648 /nfs/dbraw/zinc/90/16/48/1169901648.db2.gz MWFABUFXDXZTDD-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001569543863 1169918825 /nfs/dbraw/zinc/91/88/25/1169918825.db2.gz BMBNUHZJVCGVLH-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001495815762 972648831 /nfs/dbraw/zinc/64/88/31/972648831.db2.gz RYANSVALVUINIB-HOCLYGCPSA-N 2 1 289.423 1.817 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001497911033 973574051 /nfs/dbraw/zinc/57/40/51/973574051.db2.gz RMSNPFPMQBUDMB-CZUORRHYSA-N 2 1 297.418 1.317 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498325539 973829361 /nfs/dbraw/zinc/82/93/61/973829361.db2.gz QIZDZSKBFPBEDW-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001498325539 973829367 /nfs/dbraw/zinc/82/93/67/973829367.db2.gz QIZDZSKBFPBEDW-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001498325539 973829373 /nfs/dbraw/zinc/82/93/73/973829373.db2.gz QIZDZSKBFPBEDW-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001499244216 974222322 /nfs/dbraw/zinc/22/23/22/974222322.db2.gz YBVKDFRSWBRNSY-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001500378070 974429451 /nfs/dbraw/zinc/42/94/51/974429451.db2.gz HPXNNSWFXQETAH-RDJZCZTQSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001502793717 974784946 /nfs/dbraw/zinc/78/49/46/974784946.db2.gz SMXJHINRGYDBKP-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505445983 974881871 /nfs/dbraw/zinc/88/18/71/974881871.db2.gz BDSIKGCPSYMUPP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505445983 974881877 /nfs/dbraw/zinc/88/18/77/974881877.db2.gz BDSIKGCPSYMUPP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001505445983 974881879 /nfs/dbraw/zinc/88/18/79/974881879.db2.gz BDSIKGCPSYMUPP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001506560309 975178823 /nfs/dbraw/zinc/17/88/23/975178823.db2.gz QNTZJRSLIRJIPD-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)CC[N@H+](C)CC)C(C)C ZINC001507855850 975550887 /nfs/dbraw/zinc/55/08/87/975550887.db2.gz UJDVBGLPQXUABY-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)CC[NH+](C)CC)C(C)C ZINC001507855850 975550891 /nfs/dbraw/zinc/55/08/91/975550891.db2.gz UJDVBGLPQXUABY-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)CC[NH+](C)CC)C(C)C ZINC001507855850 975550898 /nfs/dbraw/zinc/55/08/98/975550898.db2.gz UJDVBGLPQXUABY-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001675025410 1174063827 /nfs/dbraw/zinc/06/38/27/1174063827.db2.gz SHNHZHMSGAONMX-CQSZACIVSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001570048803 1170064883 /nfs/dbraw/zinc/06/48/83/1170064883.db2.gz WSZUWXLHFMKBNK-SHTZXODSSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001571523140 1170461736 /nfs/dbraw/zinc/46/17/36/1170461736.db2.gz ORTVQSWHYQTGNG-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001571523140 1170461739 /nfs/dbraw/zinc/46/17/39/1170461739.db2.gz ORTVQSWHYQTGNG-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001571523140 1170461742 /nfs/dbraw/zinc/46/17/42/1170461742.db2.gz ORTVQSWHYQTGNG-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCc2c(CC#N)cccc2C1 ZINC000600751072 342247315 /nfs/dbraw/zinc/24/73/15/342247315.db2.gz PAQUBHZIIFMUEF-MRXNPFEDSA-N 2 1 273.380 1.081 10 30 CDEEMP C[NH2+]C[C@@](C)(O)C[N@H+]1CCc2c(CC#N)cccc2C1 ZINC000600751072 342247316 /nfs/dbraw/zinc/24/73/16/342247316.db2.gz PAQUBHZIIFMUEF-MRXNPFEDSA-N 2 1 273.380 1.081 10 30 CDEEMP C[C@@H](CC#N)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000597227087 343487546 /nfs/dbraw/zinc/48/75/46/343487546.db2.gz PSSHLXIFVVJNIE-ZDUSSCGKSA-N 2 1 280.416 1.021 10 30 CDEEMP C[C@@H](CC#N)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000597227087 343487548 /nfs/dbraw/zinc/48/75/48/343487548.db2.gz PSSHLXIFVVJNIE-ZDUSSCGKSA-N 2 1 280.416 1.021 10 30 CDEEMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)CC1(C#N)CC1)CC2 ZINC000528433974 356705405 /nfs/dbraw/zinc/70/54/05/356705405.db2.gz XLUAWINISXYVAM-CQSZACIVSA-N 2 1 277.412 1.601 10 30 CDEEMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)CC1(C#N)CC1)CC2 ZINC000528433974 356705407 /nfs/dbraw/zinc/70/54/07/356705407.db2.gz XLUAWINISXYVAM-CQSZACIVSA-N 2 1 277.412 1.601 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001661015813 1172321790 /nfs/dbraw/zinc/32/17/90/1172321790.db2.gz PDNNHIYEVSSVAB-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001661748041 1172439402 /nfs/dbraw/zinc/43/94/02/1172439402.db2.gz LERIXYLPKUWBAE-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661748041 1172439409 /nfs/dbraw/zinc/43/94/09/1172439409.db2.gz LERIXYLPKUWBAE-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001661748041 1172439415 /nfs/dbraw/zinc/43/94/15/1172439415.db2.gz LERIXYLPKUWBAE-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001663249863 1172661078 /nfs/dbraw/zinc/66/10/78/1172661078.db2.gz WABBBSPRAPQXIH-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647902726 391200538 /nfs/dbraw/zinc/20/05/38/391200538.db2.gz BNHHYDHSSDXXFF-ILXRZTDVSA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647902726 391200541 /nfs/dbraw/zinc/20/05/41/391200541.db2.gz BNHHYDHSSDXXFF-ILXRZTDVSA-N 2 1 277.412 1.237 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001663723642 1172752977 /nfs/dbraw/zinc/75/29/77/1172752977.db2.gz ZXFWXZQXBKXTNK-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001663723642 1172752983 /nfs/dbraw/zinc/75/29/83/1172752983.db2.gz ZXFWXZQXBKXTNK-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001663723642 1172752990 /nfs/dbraw/zinc/75/29/90/1172752990.db2.gz ZXFWXZQXBKXTNK-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001664819122 1172916253 /nfs/dbraw/zinc/91/62/53/1172916253.db2.gz ZPMARSSHYSZURB-LSDHHAIUSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[C@]1(C(=O)NCCCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662742689 413415660 /nfs/dbraw/zinc/41/56/60/413415660.db2.gz GGVAKOBWSXZSOS-MRXNPFEDSA-N 2 1 290.411 1.786 10 30 CDEEMP C#CCN1CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000040623268 174355909 /nfs/dbraw/zinc/35/59/09/174355909.db2.gz JTJPRQBDCPNVQE-OAHLLOKOSA-N 2 1 263.429 1.404 10 30 CDEEMP CCC[N@H+](CC(=O)N(C)C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684094 175092424 /nfs/dbraw/zinc/09/24/24/175092424.db2.gz YQCWBCNPXGAOTQ-UHFFFAOYSA-N 2 1 293.436 1.359 10 30 CDEEMP CCC[N@@H+](CC(=O)N(C)C)Cc1ccc(C#CC[NH3+])s1 ZINC000043684094 175092425 /nfs/dbraw/zinc/09/24/25/175092425.db2.gz YQCWBCNPXGAOTQ-UHFFFAOYSA-N 2 1 293.436 1.359 10 30 CDEEMP C[C@@H]1C[NH+](Cc2cc(C#CC[NH3+])cs2)C[C@@H](C)O1 ZINC000043688799 175095914 /nfs/dbraw/zinc/09/59/14/175095914.db2.gz AMMWMKQKPPCYHA-VXGBXAGGSA-N 2 1 264.394 1.668 10 30 CDEEMP CC(C)C[N@H+](CCC[C@@](C)([NH3+])C#N)CCN(C)C ZINC000045313976 175357092 /nfs/dbraw/zinc/35/70/92/175357092.db2.gz UTPZDCMNFIMZOR-CQSZACIVSA-N 2 1 254.422 1.527 10 30 CDEEMP CC(C)C[N@@H+](CCC[C@@](C)([NH3+])C#N)CCN(C)C ZINC000045313976 175357093 /nfs/dbraw/zinc/35/70/93/175357093.db2.gz UTPZDCMNFIMZOR-CQSZACIVSA-N 2 1 254.422 1.527 10 30 CDEEMP C[N@@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[NH+](C)C1 ZINC000071190486 176066246 /nfs/dbraw/zinc/06/62/46/176066246.db2.gz YAPLJVQIVRBCIG-CQSZACIVSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@H+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[NH+](C)C1 ZINC000071190486 176066248 /nfs/dbraw/zinc/06/62/48/176066248.db2.gz YAPLJVQIVRBCIG-CQSZACIVSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190486 176066250 /nfs/dbraw/zinc/06/62/50/176066250.db2.gz YAPLJVQIVRBCIG-CQSZACIVSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1cc(C#CCO)cs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190486 176066251 /nfs/dbraw/zinc/06/62/51/176066251.db2.gz YAPLJVQIVRBCIG-CQSZACIVSA-N 2 1 278.421 1.475 10 30 CDEEMP Cc1c(C[NH2+]CC(C)(C)C[NH+](C)C)cc(C#N)n1C ZINC000078410364 177339476 /nfs/dbraw/zinc/33/94/76/177339476.db2.gz MPQLGWGZTZTJQZ-UHFFFAOYSA-N 2 1 262.401 1.883 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001666759929 1173183765 /nfs/dbraw/zinc/18/37/65/1173183765.db2.gz PAWHOMNQWUUGEA-HUUCEWRRSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001667111740 1173235997 /nfs/dbraw/zinc/23/59/97/1173235997.db2.gz GHDOYMNATTZKIQ-CABCVRRESA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C ZINC001668645861 1173435915 /nfs/dbraw/zinc/43/59/15/1173435915.db2.gz 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ZINC000270131100 330073995 /nfs/dbraw/zinc/07/39/95/330073995.db2.gz PAZWSEFJPGEPJO-JSGCOSHPSA-N 2 1 260.385 1.574 10 30 CDEEMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399510 330255775 /nfs/dbraw/zinc/25/57/75/330255775.db2.gz YZKQZBXGFNYYKO-CVEARBPZSA-N 2 1 291.439 1.705 10 30 CDEEMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399510 330255777 /nfs/dbraw/zinc/25/57/77/330255777.db2.gz YZKQZBXGFNYYKO-CVEARBPZSA-N 2 1 291.439 1.705 10 30 CDEEMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399510 330255778 /nfs/dbraw/zinc/25/57/78/330255778.db2.gz YZKQZBXGFNYYKO-CVEARBPZSA-N 2 1 291.439 1.705 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001691476290 1159334139 /nfs/dbraw/zinc/33/41/39/1159334139.db2.gz GIJAWIYQFLZYFO-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001267439583 1159376510 /nfs/dbraw/zinc/37/65/10/1159376510.db2.gz 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C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001707375388 1177999658 /nfs/dbraw/zinc/99/96/58/1177999658.db2.gz NBBMIZHEZPMJBW-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001716769665 1180407028 /nfs/dbraw/zinc/40/70/28/1180407028.db2.gz DNORSLSSEOEJKG-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC[N@@H+](CCOC)Cc1ccc(F)c(C#CC[NH3+])c1 ZINC000049609725 521135129 /nfs/dbraw/zinc/13/51/29/521135129.db2.gz UKAOLWFBQKJTQK-UHFFFAOYSA-N 2 1 264.344 1.604 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001681663753 1174590533 /nfs/dbraw/zinc/59/05/33/1174590533.db2.gz RUINHIRAYJXTBS-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001688896647 1175058765 /nfs/dbraw/zinc/05/87/65/1175058765.db2.gz HSTKAUMVAJGLBP-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689946996 1175319281 /nfs/dbraw/zinc/31/92/81/1175319281.db2.gz CFVCRDCHLQJQND-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926491678 617899421 /nfs/dbraw/zinc/89/94/21/617899421.db2.gz YWWZSAPGSZPLKW-JKSUJKDBSA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CCCOC1 ZINC000926491678 617899423 /nfs/dbraw/zinc/89/94/23/617899423.db2.gz YWWZSAPGSZPLKW-JKSUJKDBSA-N 2 1 264.413 1.736 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926611395 618170590 /nfs/dbraw/zinc/17/05/90/618170590.db2.gz LJDUSPUZZVWRCL-MKXAEBJUSA-N 2 1 294.439 1.809 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000900198809 622813783 /nfs/dbraw/zinc/81/37/83/622813783.db2.gz JUDHARIZVDOJFY-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C[C@@H]1CCCC[N@@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903912366 626144993 /nfs/dbraw/zinc/14/49/93/626144993.db2.gz DKXNXMNONRPJLS-ZIAGYGMSSA-N 2 1 275.400 1.743 10 30 CDEEMP C=C[C@@H]1CCCC[N@H+]1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903912366 626144996 /nfs/dbraw/zinc/14/49/96/626144996.db2.gz DKXNXMNONRPJLS-ZIAGYGMSSA-N 2 1 275.400 1.743 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+](CC)CCC ZINC000908305904 628135568 /nfs/dbraw/zinc/13/55/68/628135568.db2.gz JJSSXOHXKZJWNA-AWEZNQCLSA-N 2 1 269.433 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000913815905 630794261 /nfs/dbraw/zinc/79/42/61/630794261.db2.gz UIESULRFFYKNDU-UONOGXRCSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001691769566 1158448724 /nfs/dbraw/zinc/44/87/24/1158448724.db2.gz MPSKMGISHUWWNQ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001690998504 1158519174 /nfs/dbraw/zinc/51/91/74/1158519174.db2.gz LYTICZXRZNMDOW-UHFFFAOYSA-N 2 1 253.390 1.096 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001691020454 1158536528 /nfs/dbraw/zinc/53/65/28/1158536528.db2.gz UASWFXSKXZKVKD-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001691020454 1158536532 /nfs/dbraw/zinc/53/65/32/1158536532.db2.gz UASWFXSKXZKVKD-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001691994636 1158847703 /nfs/dbraw/zinc/84/77/03/1158847703.db2.gz IRRBBNPKFLCYTI-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001691994636 1158847717 /nfs/dbraw/zinc/84/77/17/1158847717.db2.gz IRRBBNPKFLCYTI-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001691994636 1158847727 /nfs/dbraw/zinc/84/77/27/1158847727.db2.gz IRRBBNPKFLCYTI-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001691162540 1158938961 /nfs/dbraw/zinc/93/89/61/1158938961.db2.gz BXKXBLJWLDFMDV-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001690340788 1175443173 /nfs/dbraw/zinc/44/31/73/1175443173.db2.gz DBZMVOKWVQHTIN-QLFBSQMISA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001691020454 1158536524 /nfs/dbraw/zinc/53/65/24/1158536524.db2.gz UASWFXSKXZKVKD-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001691162540 1158938959 /nfs/dbraw/zinc/93/89/59/1158938959.db2.gz BXKXBLJWLDFMDV-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001271326451 1160321704 /nfs/dbraw/zinc/32/17/04/1160321704.db2.gz OWRAMGATBYQDRG-JKSUJKDBSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001486380189 1161453888 /nfs/dbraw/zinc/45/38/88/1161453888.db2.gz YVGPZCYZUDOEDE-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001486380189 1161453890 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CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CCC[NH+](C)C)C1 ZINC001714873230 1179432596 /nfs/dbraw/zinc/43/25/96/1179432596.db2.gz VVEPJJSBRLDPPF-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714945307 1179469576 /nfs/dbraw/zinc/46/95/76/1179469576.db2.gz OASVYLLHLXEJAO-CABCVRRESA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715081574 1179544399 /nfs/dbraw/zinc/54/43/99/1179544399.db2.gz OBMVLCKIJMFCAC-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001715308706 1179618880 /nfs/dbraw/zinc/61/88/80/1179618880.db2.gz CZIIMMCCGFUYOZ-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001715988720 1179966732 /nfs/dbraw/zinc/96/67/32/1179966732.db2.gz OGHPMBWICHIYHG-STQMWFEESA-N 2 1 278.400 1.641 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001715990793 1179968295 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CC#CC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567742112 1168946325 /nfs/dbraw/zinc/94/63/25/1168946325.db2.gz LBTQQQOQAKFCDE-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001268253063 901673866 /nfs/dbraw/zinc/67/38/66/901673866.db2.gz JXTQFCCIQBLQQS-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001268253063 901673871 /nfs/dbraw/zinc/67/38/71/901673871.db2.gz JXTQFCCIQBLQQS-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001268253063 901673876 /nfs/dbraw/zinc/67/38/76/901673876.db2.gz JXTQFCCIQBLQQS-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481778593 902117420 /nfs/dbraw/zinc/11/74/20/902117420.db2.gz WOEPUKKTOUNJAX-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481778593 902117431 /nfs/dbraw/zinc/11/74/31/902117431.db2.gz WOEPUKKTOUNJAX-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001498367343 902553107 /nfs/dbraw/zinc/55/31/07/902553107.db2.gz VQEGAAVFSNOFED-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001498367343 902553092 /nfs/dbraw/zinc/55/30/92/902553092.db2.gz VQEGAAVFSNOFED-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001498367343 902553098 /nfs/dbraw/zinc/55/30/98/902553098.db2.gz VQEGAAVFSNOFED-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001317547301 904386689 /nfs/dbraw/zinc/38/66/89/904386689.db2.gz LVYZWMVIELGQRE-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001317547301 904386702 /nfs/dbraw/zinc/38/67/02/904386702.db2.gz LVYZWMVIELGQRE-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001317547301 904386715 /nfs/dbraw/zinc/38/67/15/904386715.db2.gz LVYZWMVIELGQRE-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001482434027 905394912 /nfs/dbraw/zinc/39/49/12/905394912.db2.gz NDMZEXIMIOIGQK-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271609500 906547272 /nfs/dbraw/zinc/54/72/72/906547272.db2.gz PKYBZXHQGYLKII-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001482500195 906678771 /nfs/dbraw/zinc/67/87/71/906678771.db2.gz STXNXGPUUBHXOU-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001482529614 906843425 /nfs/dbraw/zinc/84/34/25/906843425.db2.gz KIUUFISIBGGVFX-HZPDHXFCSA-N 2 1 293.455 1.613 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001482603644 907858521 /nfs/dbraw/zinc/85/85/21/907858521.db2.gz MPTZZZYCXKUKEB-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(Cl)CN1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001484072330 915396408 /nfs/dbraw/zinc/39/64/08/915396408.db2.gz YCYDTMOAFVKKJO-AWEZNQCLSA-N 2 1 287.835 1.660 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001485350755 916871646 /nfs/dbraw/zinc/87/16/46/916871646.db2.gz RBVGCLDVHOSIIA-ZIAGYGMSSA-N 2 1 267.417 1.177 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001485803543 917347227 /nfs/dbraw/zinc/34/72/27/917347227.db2.gz GWHHYAHGJCXFBC-KBPBESRZSA-N 2 1 299.846 1.660 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001272733750 917730392 /nfs/dbraw/zinc/73/03/92/917730392.db2.gz GKETYWCZNNCNFO-SHTZXODSSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001490933650 936833679 /nfs/dbraw/zinc/83/36/79/936833679.db2.gz ITGSTOAXSUINPV-FPCVCCKLSA-N 2 1 289.423 1.263 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001488804874 926697334 /nfs/dbraw/zinc/69/73/34/926697334.db2.gz MVXUJCLZYRGYNO-GEEKYZPCSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=C)C ZINC001490208149 927008475 /nfs/dbraw/zinc/00/84/75/927008475.db2.gz GHUYVAFLGDMLQR-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=C)C ZINC001490208149 927008489 /nfs/dbraw/zinc/00/84/89/927008489.db2.gz GHUYVAFLGDMLQR-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=C)C ZINC001490208149 927008504 /nfs/dbraw/zinc/00/85/04/927008504.db2.gz GHUYVAFLGDMLQR-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=C)C ZINC001490208149 927008517 /nfs/dbraw/zinc/00/85/17/927008517.db2.gz GHUYVAFLGDMLQR-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001490777370 927343751 /nfs/dbraw/zinc/34/37/51/927343751.db2.gz PLXSZMYWOPQGCK-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001490777370 927343763 /nfs/dbraw/zinc/34/37/63/927343763.db2.gz PLXSZMYWOPQGCK-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001490777370 927343776 /nfs/dbraw/zinc/34/37/76/927343776.db2.gz PLXSZMYWOPQGCK-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001275684928 931955289 /nfs/dbraw/zinc/95/52/89/931955289.db2.gz LNKAYAMTVISNKO-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001276262440 932696868 /nfs/dbraw/zinc/69/68/68/932696868.db2.gz WULKRPDCDGRJQD-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001280263884 942427021 /nfs/dbraw/zinc/42/70/21/942427021.db2.gz OBEHSAIRUMKUCA-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001281957013 942637371 /nfs/dbraw/zinc/63/73/71/942637371.db2.gz OINGBNCSNDLRNA-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001282397326 942705314 /nfs/dbraw/zinc/70/53/14/942705314.db2.gz DCLJZTTUGCEWSI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001282397326 942705321 /nfs/dbraw/zinc/70/53/21/942705321.db2.gz DCLJZTTUGCEWSI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001282397326 942705322 /nfs/dbraw/zinc/70/53/22/942705322.db2.gz DCLJZTTUGCEWSI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCCC ZINC001282401980 942706072 /nfs/dbraw/zinc/70/60/72/942706072.db2.gz KPNSRUIDQWWWDE-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCCC ZINC001282401980 942706078 /nfs/dbraw/zinc/70/60/78/942706078.db2.gz KPNSRUIDQWWWDE-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC ZINC001282401980 942706081 /nfs/dbraw/zinc/70/60/81/942706081.db2.gz KPNSRUIDQWWWDE-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC ZINC001282401980 942706087 /nfs/dbraw/zinc/70/60/87/942706087.db2.gz KPNSRUIDQWWWDE-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001282402908 942707796 /nfs/dbraw/zinc/70/77/96/942707796.db2.gz RJIIQUUMYGGAOT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282402908 942707797 /nfs/dbraw/zinc/70/77/97/942707797.db2.gz RJIIQUUMYGGAOT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001282402908 942707804 /nfs/dbraw/zinc/70/78/04/942707804.db2.gz RJIIQUUMYGGAOT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001282444511 942715262 /nfs/dbraw/zinc/71/52/62/942715262.db2.gz SDTYWGVKGABLIQ-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001282444511 942715266 /nfs/dbraw/zinc/71/52/66/942715266.db2.gz SDTYWGVKGABLIQ-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001282444511 942715269 /nfs/dbraw/zinc/71/52/69/942715269.db2.gz SDTYWGVKGABLIQ-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001282461131 942717457 /nfs/dbraw/zinc/71/74/57/942717457.db2.gz KFIALMNJLAFDQM-OLZOCXBDSA-N 2 1 255.406 1.339 10 30 CDEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001282665537 942736203 /nfs/dbraw/zinc/73/62/03/942736203.db2.gz FVEXKEZJICOIBB-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001282665537 942736207 /nfs/dbraw/zinc/73/62/07/942736207.db2.gz FVEXKEZJICOIBB-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001282665537 942736215 /nfs/dbraw/zinc/73/62/15/942736215.db2.gz FVEXKEZJICOIBB-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001283174269 942845152 /nfs/dbraw/zinc/84/51/52/942845152.db2.gz RNQCUJRYLUVISW-HOTGVXAUSA-N 2 1 293.455 1.757 10 30 CDEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264115592 944082394 /nfs/dbraw/zinc/08/23/94/944082394.db2.gz ZJECDJKCBXYLDF-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001264545249 944148119 /nfs/dbraw/zinc/14/81/19/944148119.db2.gz HDEMRCFGANUNBI-PMPSAXMXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001265215923 944282943 /nfs/dbraw/zinc/28/29/43/944282943.db2.gz DWHDHQHHQOYWIK-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265215923 944282949 /nfs/dbraw/zinc/28/29/49/944282949.db2.gz DWHDHQHHQOYWIK-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001265215923 944282956 /nfs/dbraw/zinc/28/29/56/944282956.db2.gz DWHDHQHHQOYWIK-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001265395079 944372986 /nfs/dbraw/zinc/37/29/86/944372986.db2.gz ONUFGGUBIIOQJY-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001265657516 944459113 /nfs/dbraw/zinc/45/91/13/944459113.db2.gz FRRXVYKQBAJQGX-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001265657516 944459115 /nfs/dbraw/zinc/45/91/15/944459115.db2.gz FRRXVYKQBAJQGX-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001265657516 944459117 /nfs/dbraw/zinc/45/91/17/944459117.db2.gz FRRXVYKQBAJQGX-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266008472 944625298 /nfs/dbraw/zinc/62/52/98/944625298.db2.gz FCWATSVHDVAYQL-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001266008473 944625730 /nfs/dbraw/zinc/62/57/30/944625730.db2.gz FCWATSVHDVAYQL-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001266040984 944650660 /nfs/dbraw/zinc/65/06/60/944650660.db2.gz PTGXPASQCXABJQ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001278403115 947623414 /nfs/dbraw/zinc/62/34/14/947623414.db2.gz GOCRRVUNMRZXDT-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001278425011 947889115 /nfs/dbraw/zinc/88/91/15/947889115.db2.gz YJCNJQTWTDTGAE-WBVHZDCISA-N 2 1 299.418 1.331 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001278425011 947889125 /nfs/dbraw/zinc/88/91/25/947889125.db2.gz YJCNJQTWTDTGAE-WBVHZDCISA-N 2 1 299.418 1.331 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915226 971484799 /nfs/dbraw/zinc/48/47/99/971484799.db2.gz OBZXMDQEDBYDEW-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279033865 948627035 /nfs/dbraw/zinc/62/70/35/948627035.db2.gz GTJPSMNQRHHKLT-KGLIPLIRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279033865 948627041 /nfs/dbraw/zinc/62/70/41/948627041.db2.gz GTJPSMNQRHHKLT-KGLIPLIRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001480158273 971607333 /nfs/dbraw/zinc/60/73/33/971607333.db2.gz WZHPPQIXQZRPSK-KLHDSHLOSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001569058488 1169622757 /nfs/dbraw/zinc/62/27/57/1169622757.db2.gz GRVUNCIWSOMEGI-LSDHHAIUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001493156333 971962037 /nfs/dbraw/zinc/96/20/37/971962037.db2.gz PIHQZULMNLZCFV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001493156333 971962040 /nfs/dbraw/zinc/96/20/40/971962040.db2.gz PIHQZULMNLZCFV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001493156333 971962045 /nfs/dbraw/zinc/96/20/45/971962045.db2.gz PIHQZULMNLZCFV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001325581658 953971777 /nfs/dbraw/zinc/97/17/77/953971777.db2.gz NGRHTRAFHDVRNP-GJZGRUSLSA-N 2 1 281.444 1.588 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)[C@H](C)CCC=C ZINC001492292686 955815850 /nfs/dbraw/zinc/81/58/50/955815850.db2.gz ILJWDJMBTXAZBU-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)[C@H](C)CCC=C ZINC001492292686 955815863 /nfs/dbraw/zinc/81/58/63/955815863.db2.gz ILJWDJMBTXAZBU-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)CCC=C ZINC001492292686 955815870 /nfs/dbraw/zinc/81/58/70/955815870.db2.gz ILJWDJMBTXAZBU-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)CCC=C ZINC001492292686 955815880 /nfs/dbraw/zinc/81/58/80/955815880.db2.gz ILJWDJMBTXAZBU-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001330012985 956235183 /nfs/dbraw/zinc/23/51/83/956235183.db2.gz MAPFTYSHMWHYLM-CYBMUJFWSA-N 2 1 276.384 1.204 10 30 CDEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001330836349 956658236 /nfs/dbraw/zinc/65/82/36/956658236.db2.gz OGNPGZUOZWNZFR-BFHYXJOUSA-N 2 1 288.395 1.411 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317512976 956765590 /nfs/dbraw/zinc/76/55/90/956765590.db2.gz GCOLJNAPPDTOCA-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317512976 956765594 /nfs/dbraw/zinc/76/55/94/956765594.db2.gz GCOLJNAPPDTOCA-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001328279776 956844164 /nfs/dbraw/zinc/84/41/64/956844164.db2.gz PXACPVSBGQPCQT-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001328279776 956844171 /nfs/dbraw/zinc/84/41/71/956844171.db2.gz PXACPVSBGQPCQT-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001328279776 956844181 /nfs/dbraw/zinc/84/41/81/956844181.db2.gz PXACPVSBGQPCQT-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001331456276 957073249 /nfs/dbraw/zinc/07/32/49/957073249.db2.gz SUPSMRGBVUGJHL-QLFBSQMISA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001316986169 957185337 /nfs/dbraw/zinc/18/53/37/957185337.db2.gz ORSUUFNPSRKLBS-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001316986169 957185344 /nfs/dbraw/zinc/18/53/44/957185344.db2.gz ORSUUFNPSRKLBS-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001316986169 957185348 /nfs/dbraw/zinc/18/53/48/957185348.db2.gz ORSUUFNPSRKLBS-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001317080562 957256576 /nfs/dbraw/zinc/25/65/76/957256576.db2.gz ZZAVKVHSICTANJ-YHUYYLMFSA-N 2 1 289.423 1.263 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317247458 957377227 /nfs/dbraw/zinc/37/72/27/957377227.db2.gz QAWYKXFEAMBYIP-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001332119467 957438590 /nfs/dbraw/zinc/43/85/90/957438590.db2.gz RZGKJMIVULJFLT-WBVHZDCISA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001332119467 957438592 /nfs/dbraw/zinc/43/85/92/957438592.db2.gz RZGKJMIVULJFLT-WBVHZDCISA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001332119467 957438594 /nfs/dbraw/zinc/43/85/94/957438594.db2.gz RZGKJMIVULJFLT-WBVHZDCISA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317430427 957467286 /nfs/dbraw/zinc/46/72/86/957467286.db2.gz VBINMEQMZSRPMZ-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317648341 957621328 /nfs/dbraw/zinc/62/13/28/957621328.db2.gz SNDNGEIWMGYSLG-MRXNPFEDSA-N 2 1 289.423 1.913 10 30 CDEEMP C#CCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001319042840 958349435 /nfs/dbraw/zinc/34/94/35/958349435.db2.gz BFXYXIILQLYAEY-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319476005 958585649 /nfs/dbraw/zinc/58/56/49/958585649.db2.gz MREHLGBMDZQNPM-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001494987199 972364624 /nfs/dbraw/zinc/36/46/24/972364624.db2.gz HQKUKWCFLMJJSM-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001321112563 959599076 /nfs/dbraw/zinc/59/90/76/959599076.db2.gz SEMCNTFCMQVFJO-DKLOGILVSA-N 2 1 291.439 1.841 10 30 CDEEMP C=CCCC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001495236696 972454827 /nfs/dbraw/zinc/45/48/27/972454827.db2.gz YHPYUCLGPDRBAH-WBVHZDCISA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001322792274 960323633 /nfs/dbraw/zinc/32/36/33/960323633.db2.gz JMIXQWPKQAAFCM-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C(CNN=C1CCC[N@H+]2CCCC[C@@H]12)CN1CCOCC1 ZINC000848411255 969075799 /nfs/dbraw/zinc/07/57/99/969075799.db2.gz WGCGVGROFZFIOH-INIZCTEOSA-N 2 1 294.443 1.303 10 30 CDEEMP C(CNN=C1CCC[N@H+]2CCCC[C@@H]12)C[NH+]1CCOCC1 ZINC000848411255 969075818 /nfs/dbraw/zinc/07/58/18/969075818.db2.gz WGCGVGROFZFIOH-INIZCTEOSA-N 2 1 294.443 1.303 10 30 CDEEMP C#CCCN1CCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001464612884 969800877 /nfs/dbraw/zinc/80/08/77/969800877.db2.gz TWMZEXMTKGKDOA-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001464612884 969800882 /nfs/dbraw/zinc/80/08/82/969800882.db2.gz TWMZEXMTKGKDOA-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001464612884 969800887 /nfs/dbraw/zinc/80/08/87/969800887.db2.gz TWMZEXMTKGKDOA-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001480596896 970075463 /nfs/dbraw/zinc/07/54/63/970075463.db2.gz MUNBFAZYNMQLRO-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP 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CDEEMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600728405 342245463 /nfs/dbraw/zinc/24/54/63/342245463.db2.gz PICLJRFBPUNKAK-HZPDHXFCSA-N 2 1 293.455 1.999 10 30 CDEEMP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000601852412 344271804 /nfs/dbraw/zinc/27/18/04/344271804.db2.gz YPBRBQQZYMFBHL-UONOGXRCSA-N 2 1 280.416 1.196 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001660253031 1172184806 /nfs/dbraw/zinc/18/48/06/1172184806.db2.gz COYIYXUBGNKRQU-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804896 360285584 /nfs/dbraw/zinc/28/55/84/360285584.db2.gz NHDNUUOFRNHKLM-CABCVRRESA-N 2 1 294.443 1.411 10 30 CDEEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804896 360285587 /nfs/dbraw/zinc/28/55/87/360285587.db2.gz NHDNUUOFRNHKLM-CABCVRRESA-N 2 1 294.443 1.411 10 30 CDEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804896 360285589 /nfs/dbraw/zinc/28/55/89/360285589.db2.gz NHDNUUOFRNHKLM-CABCVRRESA-N 2 1 294.443 1.411 10 30 CDEEMP CC#CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000155619049 390919488 /nfs/dbraw/zinc/91/94/88/390919488.db2.gz ANNCWWDILRWLPR-MRXNPFEDSA-N 2 1 263.429 1.502 10 30 CDEEMP CC#CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000155619049 390919489 /nfs/dbraw/zinc/91/94/89/390919489.db2.gz ANNCWWDILRWLPR-MRXNPFEDSA-N 2 1 263.429 1.502 10 30 CDEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(C#N)o2)CC1 ZINC000121103444 147358565 /nfs/dbraw/zinc/35/85/65/147358565.db2.gz HCUJVFSQZHIWGZ-CYBMUJFWSA-N 2 1 291.395 1.676 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664687162 1172884864 /nfs/dbraw/zinc/88/48/64/1172884864.db2.gz PYQGIRUTADUYQS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664687162 1172884867 /nfs/dbraw/zinc/88/48/67/1172884867.db2.gz PYQGIRUTADUYQS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001664687162 1172884870 /nfs/dbraw/zinc/88/48/70/1172884870.db2.gz PYQGIRUTADUYQS-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701840 413347011 /nfs/dbraw/zinc/34/70/11/413347011.db2.gz VNJPVQYCQBZGPW-NVXWUHKLSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CCC[NH2+]1 ZINC000662754156 413431051 /nfs/dbraw/zinc/43/10/51/413431051.db2.gz FQBPSMRDGABJIY-XNRPHZJLSA-N 2 1 277.412 1.284 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665570042 1173012018 /nfs/dbraw/zinc/01/20/18/1173012018.db2.gz QQTGFOCTCPNOOQ-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCN(C(=O)[C@@H]1CCC[N@@H+]1C1CC[NH2+]CC1)C(C)C ZINC000038043331 174049657 /nfs/dbraw/zinc/04/96/57/174049657.db2.gz RWMMUPXNUFTXNY-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCN(C(=O)[C@@H]1CCC[N@H+]1C1CC[NH2+]CC1)C(C)C ZINC000038043331 174049658 /nfs/dbraw/zinc/04/96/58/174049658.db2.gz RWMMUPXNUFTXNY-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCC[C@@H](O)C1 ZINC000043683968 175091888 /nfs/dbraw/zinc/09/18/88/175091888.db2.gz OYONMELCOHOZOX-GFCCVEGCSA-N 2 1 250.367 1.015 10 30 CDEEMP C[N@H+](Cc1cc(C#CC[NH3+])cs1)C[C@@H]1CCCO1 ZINC000043688981 175096101 /nfs/dbraw/zinc/09/61/01/175096101.db2.gz GDAZMZVRJKGPTA-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP N#CCN(C(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000044514246 175189412 /nfs/dbraw/zinc/18/94/12/175189412.db2.gz UIXWSEKIHKCKJG-UHFFFAOYSA-N 2 1 286.379 1.214 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000071190477 176067164 /nfs/dbraw/zinc/06/71/64/176067164.db2.gz DWXFRWAOPGADTB-HNNXBMFYSA-N 2 1 289.398 1.519 10 30 CDEEMP CN[C@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190764 176067638 /nfs/dbraw/zinc/06/76/38/176067638.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 2 1 252.406 1.152 10 30 CDEEMP CN[C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190764 176067640 /nfs/dbraw/zinc/06/76/40/176067640.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 2 1 252.406 1.152 10 30 CDEEMP CN[C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190764 176067641 /nfs/dbraw/zinc/06/76/41/176067641.db2.gz KTUYBRKSZITEAM-KBPBESRZSA-N 2 1 252.406 1.152 10 30 CDEEMP Cc1nccc(N2CC[NH+]([C@@H]3CC[C@H](C#N)C3)CC2)n1 ZINC000294638166 263165470 /nfs/dbraw/zinc/16/54/70/263165470.db2.gz PTPLZRYSDSZWIT-UONOGXRCSA-N 2 1 271.368 1.599 10 30 CDEEMP C[C@@H]([NH3+])C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000530234433 271175456 /nfs/dbraw/zinc/17/54/56/271175456.db2.gz PHOGWOQVMLNHCY-GFCCVEGCSA-N 2 1 259.353 1.501 10 30 CDEEMP C[N@H+]1CCC[C@H]2C[NH+](CCOCCC#N)CC[C@@H]21 ZINC000339020150 327007979 /nfs/dbraw/zinc/00/79/79/327007979.db2.gz DEXQYVKTUBALAK-KBPBESRZSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]1CCC[C@H]2C[N@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020150 327007981 /nfs/dbraw/zinc/00/79/81/327007981.db2.gz DEXQYVKTUBALAK-KBPBESRZSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCCC#N)CC[C@@H]21 ZINC000339020150 327007982 /nfs/dbraw/zinc/00/79/82/327007982.db2.gz DEXQYVKTUBALAK-KBPBESRZSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NCC(C)(C)SC ZINC000262451525 330013941 /nfs/dbraw/zinc/01/39/41/330013941.db2.gz DUBFCEPIRWTHAV-NSHDSACASA-N 2 1 272.462 1.387 10 30 CDEEMP C=CCNC(=[NH2+])NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000262691206 330027682 /nfs/dbraw/zinc/02/76/82/330027682.db2.gz WEJBFFIGKCJRAH-UHFFFAOYSA-N 3 1 293.459 1.027 10 30 CDEEMP CC[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262743834 330029019 /nfs/dbraw/zinc/02/90/19/330029019.db2.gz FNZUBBHWAAIQON-UMVBOHGHSA-N 2 1 278.444 1.967 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001692204365 1175699286 /nfs/dbraw/zinc/69/92/86/1175699286.db2.gz QIEKDRIPIBBGQE-RRFJBIMHSA-N 2 1 279.428 1.175 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001692263944 1159230614 /nfs/dbraw/zinc/23/06/14/1159230614.db2.gz VBSLROMKBQTOHN-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001692263944 1159230619 /nfs/dbraw/zinc/23/06/19/1159230619.db2.gz VBSLROMKBQTOHN-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001692263944 1159230621 /nfs/dbraw/zinc/23/06/21/1159230621.db2.gz VBSLROMKBQTOHN-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699450201 1176413796 /nfs/dbraw/zinc/41/37/96/1176413796.db2.gz IWSFMPLKHIJOBU-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001699450201 1176413800 /nfs/dbraw/zinc/41/38/00/1176413800.db2.gz IWSFMPLKHIJOBU-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001691679082 1161559838 /nfs/dbraw/zinc/55/98/38/1161559838.db2.gz RFUVRUFWMDTORL-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691679082 1161559844 /nfs/dbraw/zinc/55/98/44/1161559844.db2.gz RFUVRUFWMDTORL-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691679082 1161559848 /nfs/dbraw/zinc/55/98/48/1161559848.db2.gz RFUVRUFWMDTORL-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001717336055 1180621313 /nfs/dbraw/zinc/62/13/13/1180621313.db2.gz NCRUZCZXQUPFPT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001717336055 1180621317 /nfs/dbraw/zinc/62/13/17/1180621317.db2.gz NCRUZCZXQUPFPT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001717336055 1180621318 /nfs/dbraw/zinc/62/13/18/1180621318.db2.gz NCRUZCZXQUPFPT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001725167796 1181900810 /nfs/dbraw/zinc/90/08/10/1181900810.db2.gz ZTJKFLSRBBSMCB-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001725167796 1181900817 /nfs/dbraw/zinc/90/08/17/1181900817.db2.gz ZTJKFLSRBBSMCB-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001725167796 1181900822 /nfs/dbraw/zinc/90/08/22/1181900822.db2.gz ZTJKFLSRBBSMCB-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725184721 1181911719 /nfs/dbraw/zinc/91/17/19/1181911719.db2.gz AATSBPXSOVGGCW-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001725184721 1181911724 /nfs/dbraw/zinc/91/17/24/1181911724.db2.gz AATSBPXSOVGGCW-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001725184721 1181911727 /nfs/dbraw/zinc/91/17/27/1181911727.db2.gz AATSBPXSOVGGCW-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733225119 1183351738 /nfs/dbraw/zinc/35/17/38/1183351738.db2.gz GKHDACCURHLRAZ-CQSZACIVSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001733225119 1183351744 /nfs/dbraw/zinc/35/17/44/1183351744.db2.gz GKHDACCURHLRAZ-CQSZACIVSA-N 2 1 265.401 1.095 10 30 CDEEMP CC[N@H+]1CCC[C@@H](NC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000049232048 521624192 /nfs/dbraw/zinc/62/41/92/521624192.db2.gz RBPYPLRBPYDTBG-MRXNPFEDSA-N 2 1 285.391 1.211 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@H]1CCCO1 ZINC000049609684 523203015 /nfs/dbraw/zinc/20/30/15/523203015.db2.gz FKYLJVDJUYZJLA-OAHLLOKOSA-N 2 1 276.355 1.747 10 30 CDEEMP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CCCO1 ZINC000049609687 523254088 /nfs/dbraw/zinc/25/40/88/523254088.db2.gz FLMXKSBQKOCBCN-INIZCTEOSA-N 2 1 276.355 1.747 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000049608325 523513051 /nfs/dbraw/zinc/51/30/51/523513051.db2.gz WXOQWIQVWPJHNK-OAHLLOKOSA-N 2 1 288.391 1.210 10 30 CDEEMP C[C@H]1C[NH+](CCOc2cccc(C#CC[NH3+])c2)C[C@H](C)O1 ZINC000049608443 524600557 /nfs/dbraw/zinc/60/05/57/524600557.db2.gz AFTIUOLFKNNFIW-GJZGRUSLSA-N 2 1 288.391 1.485 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)CC1(C)C ZINC000940807623 613201329 /nfs/dbraw/zinc/20/13/29/613201329.db2.gz RSACIICSKPOZHP-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC)CC1(C)C ZINC000940807623 613201331 /nfs/dbraw/zinc/20/13/31/613201331.db2.gz RSACIICSKPOZHP-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC1(C)C ZINC000940807623 613201333 /nfs/dbraw/zinc/20/13/33/613201333.db2.gz RSACIICSKPOZHP-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC)CC1(C)C ZINC000940807623 613201335 /nfs/dbraw/zinc/20/13/35/613201335.db2.gz RSACIICSKPOZHP-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[N@H+](CC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904471595 626304278 /nfs/dbraw/zinc/30/42/78/626304278.db2.gz JQQXHOJMCJNOBM-AWEZNQCLSA-N 2 1 267.417 1.472 10 30 CDEEMP C[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912506029 630048222 /nfs/dbraw/zinc/04/82/22/630048222.db2.gz FWNRQNMVOVTVMX-LBPRGKRZSA-N 2 1 252.406 1.577 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001266445000 1158547487 /nfs/dbraw/zinc/54/74/87/1158547487.db2.gz IWYYQZDQIIYZOX-HZPDHXFCSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732083234 1159725137 /nfs/dbraw/zinc/72/51/37/1159725137.db2.gz GYIBVHMLTISNFS-MRXNPFEDSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000876838227 1165926195 /nfs/dbraw/zinc/92/61/95/1165926195.db2.gz KDDLUPJAHALWPF-QWHCGFSZSA-N 2 1 294.786 1.024 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877249307 1166003561 /nfs/dbraw/zinc/00/35/61/1166003561.db2.gz ITCLSNBMTJPUQP-GRYCIOLGSA-N 2 1 271.792 1.009 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001644638381 1167332798 /nfs/dbraw/zinc/33/27/98/1167332798.db2.gz PLEVNOHOOFMYTO-PMPSAXMXSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001644638381 1167332801 /nfs/dbraw/zinc/33/28/01/1167332801.db2.gz PLEVNOHOOFMYTO-PMPSAXMXSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001566897054 1168460111 /nfs/dbraw/zinc/46/01/11/1168460111.db2.gz PTGGMWJPOXFAEW-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001569567616 1169926901 /nfs/dbraw/zinc/92/69/01/1169926901.db2.gz ZOGWXAACRBBNHH-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001570090313 1170075788 /nfs/dbraw/zinc/07/57/88/1170075788.db2.gz WDYSPHQKGRGJSL-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)C(C)C)C1 ZINC001661554593 1172405687 /nfs/dbraw/zinc/40/56/87/1172405687.db2.gz DAVSPIBIVSQAEW-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554593 1172405691 /nfs/dbraw/zinc/40/56/91/1172405691.db2.gz DAVSPIBIVSQAEW-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001661554593 1172405696 /nfs/dbraw/zinc/40/56/96/1172405696.db2.gz DAVSPIBIVSQAEW-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001661748514 1172441446 /nfs/dbraw/zinc/44/14/46/1172441446.db2.gz TTXKUSDMAPWHGP-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001661748514 1172441450 /nfs/dbraw/zinc/44/14/50/1172441450.db2.gz TTXKUSDMAPWHGP-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001662293436 1172522847 /nfs/dbraw/zinc/52/28/47/1172522847.db2.gz RCYWBEUOJIYDND-AWEZNQCLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001664553277 1172868589 /nfs/dbraw/zinc/86/85/89/1172868589.db2.gz VPXSJMWQCKQNID-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001664553277 1172868595 /nfs/dbraw/zinc/86/85/95/1172868595.db2.gz VPXSJMWQCKQNID-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001664553277 1172868604 /nfs/dbraw/zinc/86/86/04/1172868604.db2.gz VPXSJMWQCKQNID-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001670051634 1173649710 /nfs/dbraw/zinc/64/97/10/1173649710.db2.gz XSIVSWQOMXOVEZ-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001670051634 1173649714 /nfs/dbraw/zinc/64/97/14/1173649714.db2.gz XSIVSWQOMXOVEZ-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CCC1 ZINC001673218319 1173835902 /nfs/dbraw/zinc/83/59/02/1173835902.db2.gz LCCWPHWTBMCCIH-UHFFFAOYSA-N 2 1 288.395 1.268 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001690771953 1175570838 /nfs/dbraw/zinc/57/08/38/1175570838.db2.gz MGXAAQKIVWYMPM-LSDHHAIUSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001692257553 1175717193 /nfs/dbraw/zinc/71/71/93/1175717193.db2.gz IHDXMRLGZBBDTB-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001692368984 1175752615 /nfs/dbraw/zinc/75/26/15/1175752615.db2.gz OMOAGMQGWZEHKD-HRCADAONSA-N 2 1 291.439 1.722 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001692368984 1175752617 /nfs/dbraw/zinc/75/26/17/1175752617.db2.gz OMOAGMQGWZEHKD-HRCADAONSA-N 2 1 291.439 1.722 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C ZINC001692368984 1175752620 /nfs/dbraw/zinc/75/26/20/1175752620.db2.gz OMOAGMQGWZEHKD-HRCADAONSA-N 2 1 291.439 1.722 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001698611954 1175871511 /nfs/dbraw/zinc/87/15/11/1175871511.db2.gz AUWQYNGHQZKCJP-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699440400 1176405110 /nfs/dbraw/zinc/40/51/10/1176405110.db2.gz DAHBCRZLQFLLCN-HOCLYGCPSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001699450201 1176413792 /nfs/dbraw/zinc/41/37/92/1176413792.db2.gz IWSFMPLKHIJOBU-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001699663558 1176557516 /nfs/dbraw/zinc/55/75/16/1176557516.db2.gz QTYGANYSGLPXBD-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001700486895 1176974869 /nfs/dbraw/zinc/97/48/69/1176974869.db2.gz HAVSUSHEKMINPY-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700486895 1176974876 /nfs/dbraw/zinc/97/48/76/1176974876.db2.gz HAVSUSHEKMINPY-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700486895 1176974882 /nfs/dbraw/zinc/97/48/82/1176974882.db2.gz HAVSUSHEKMINPY-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001701007086 1177237260 /nfs/dbraw/zinc/23/72/60/1177237260.db2.gz SJFXXRUCIYNNTN-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001707075704 1177940745 /nfs/dbraw/zinc/94/07/45/1177940745.db2.gz SISGLOFRLSUCMR-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001713124562 1178382454 /nfs/dbraw/zinc/38/24/54/1178382454.db2.gz IHSWHKJSQITIBJ-LSDHHAIUSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001713206385 1178431553 /nfs/dbraw/zinc/43/15/53/1178431553.db2.gz PIRKVNGPABDOHZ-UXLLHSPISA-N 2 1 291.439 1.675 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001713343810 1178510839 /nfs/dbraw/zinc/51/08/39/1178510839.db2.gz BMGFJXHYDZICOP-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713459288 1178576702 /nfs/dbraw/zinc/57/67/02/1178576702.db2.gz FOHOWLAWIYQWLN-UHFFFAOYSA-N 2 1 272.352 1.490 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001713564799 1178651186 /nfs/dbraw/zinc/65/11/86/1178651186.db2.gz LJEPLEQXZQHLAP-HOCLYGCPSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001714005064 1178923328 /nfs/dbraw/zinc/92/33/28/1178923328.db2.gz ZHTZNNOBNRVSRP-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001714005064 1178923331 /nfs/dbraw/zinc/92/33/31/1178923331.db2.gz ZHTZNNOBNRVSRP-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001714005064 1178923333 /nfs/dbraw/zinc/92/33/33/1178923333.db2.gz ZHTZNNOBNRVSRP-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714078323 1178963855 /nfs/dbraw/zinc/96/38/55/1178963855.db2.gz HBTUVVJIPXOXPL-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001714390078 1179119941 /nfs/dbraw/zinc/11/99/41/1179119941.db2.gz BLBGOHFJUOUVCE-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001714868882 1179420777 /nfs/dbraw/zinc/42/07/77/1179420777.db2.gz XVPDPLNVQMVDNA-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001714868882 1179420781 /nfs/dbraw/zinc/42/07/81/1179420781.db2.gz XVPDPLNVQMVDNA-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714868882 1179420785 /nfs/dbraw/zinc/42/07/85/1179420785.db2.gz XVPDPLNVQMVDNA-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001714890346 1179438889 /nfs/dbraw/zinc/43/88/89/1179438889.db2.gz HRTRYIVQPAKTLR-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714890346 1179438892 /nfs/dbraw/zinc/43/88/92/1179438892.db2.gz HRTRYIVQPAKTLR-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714890346 1179438894 /nfs/dbraw/zinc/43/88/94/1179438894.db2.gz HRTRYIVQPAKTLR-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001715014580 1179510066 /nfs/dbraw/zinc/51/00/66/1179510066.db2.gz AKLZQFHUBPVPAR-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001715146979 1179564115 /nfs/dbraw/zinc/56/41/15/1179564115.db2.gz RDQGVOWWRRBMCI-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001715378932 1179650089 /nfs/dbraw/zinc/65/00/89/1179650089.db2.gz GCQMACUDDJRTNV-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001715378932 1179650092 /nfs/dbraw/zinc/65/00/92/1179650092.db2.gz GCQMACUDDJRTNV-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715441611 1179667695 /nfs/dbraw/zinc/66/76/95/1179667695.db2.gz ZOULQXXIJCXPBF-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715441618 1179667921 /nfs/dbraw/zinc/66/79/21/1179667921.db2.gz ZOULQXXIJCXPBF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001715532342 1179703701 /nfs/dbraw/zinc/70/37/01/1179703701.db2.gz VIBDYARLHMPOFP-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001715532342 1179703707 /nfs/dbraw/zinc/70/37/07/1179703707.db2.gz VIBDYARLHMPOFP-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001715532342 1179703710 /nfs/dbraw/zinc/70/37/10/1179703710.db2.gz VIBDYARLHMPOFP-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CC(C)C)CC1 ZINC001715540171 1179708629 /nfs/dbraw/zinc/70/86/29/1179708629.db2.gz SXYSCEJRMFMLPO-UHFFFAOYSA-N 2 1 293.455 1.378 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715820592 1179848844 /nfs/dbraw/zinc/84/88/44/1179848844.db2.gz YTSYRIUMRRFQHN-LFAOLKIESA-N 2 1 277.412 1.145 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001715870484 1179884845 /nfs/dbraw/zinc/88/48/45/1179884845.db2.gz VAWCOSAXTMASKR-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001715870484 1179884856 /nfs/dbraw/zinc/88/48/56/1179884856.db2.gz VAWCOSAXTMASKR-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001715870484 1179884869 /nfs/dbraw/zinc/88/48/69/1179884869.db2.gz VAWCOSAXTMASKR-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(=C)C)CC1 ZINC001716509111 1180261971 /nfs/dbraw/zinc/26/19/71/1180261971.db2.gz WMGKDLPCFJPCCR-HNNXBMFYSA-N 2 1 291.439 1.344 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001717290978 1180607010 /nfs/dbraw/zinc/60/70/10/1180607010.db2.gz SNRBXGLYQJBJKW-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001717739757 1180818670 /nfs/dbraw/zinc/81/86/70/1180818670.db2.gz ZTCVZMFNQDKWDR-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001723303036 1181535404 /nfs/dbraw/zinc/53/54/04/1181535404.db2.gz WKMRYQHETANJEX-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001724651182 1181714905 /nfs/dbraw/zinc/71/49/05/1181714905.db2.gz PARKPNNXOMEDKA-HZPDHXFCSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724651182 1181714909 /nfs/dbraw/zinc/71/49/09/1181714909.db2.gz PARKPNNXOMEDKA-HZPDHXFCSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001724651182 1181714915 /nfs/dbraw/zinc/71/49/15/1181714915.db2.gz PARKPNNXOMEDKA-HZPDHXFCSA-N 2 1 293.455 1.968 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001725047101 1181836465 /nfs/dbraw/zinc/83/64/65/1181836465.db2.gz LCZZCXLJKHTJOI-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001725781914 1182131277 /nfs/dbraw/zinc/13/12/77/1182131277.db2.gz YUHLVLNVTMKMFW-YMAMQOFZSA-N 2 1 279.428 1.626 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001731420953 1182375225 /nfs/dbraw/zinc/37/52/25/1182375225.db2.gz AUVQMWKGIVEJOY-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001731420953 1182375231 /nfs/dbraw/zinc/37/52/31/1182375231.db2.gz AUVQMWKGIVEJOY-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001731420953 1182375237 /nfs/dbraw/zinc/37/52/37/1182375237.db2.gz AUVQMWKGIVEJOY-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001731543870 1182443954 /nfs/dbraw/zinc/44/39/54/1182443954.db2.gz VBLKEZCRUTZWCH-CQSZACIVSA-N 2 1 265.401 1.239 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001732102800 1182770355 /nfs/dbraw/zinc/77/03/55/1182770355.db2.gz CVAQFRJUMXHIOE-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732524428 1182996469 /nfs/dbraw/zinc/99/64/69/1182996469.db2.gz BUEYWTCIJFUHKL-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001732943881 1183194628 /nfs/dbraw/zinc/19/46/28/1183194628.db2.gz RELFUQHOZDXMQK-FVNWOWOISA-N 2 1 299.418 1.575 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001732975253 1183213537 /nfs/dbraw/zinc/21/35/37/1183213537.db2.gz WPOQQBRJOLXARU-CYBMUJFWSA-N 2 1 278.400 1.677 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001733675619 1183494560 /nfs/dbraw/zinc/49/45/60/1183494560.db2.gz GVYPHFWVZYGHHO-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001733690423 1183497539 /nfs/dbraw/zinc/49/75/39/1183497539.db2.gz QAGJGYMKKYYEGW-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)C)CCC1 ZINC001733715972 1183506524 /nfs/dbraw/zinc/50/65/24/1183506524.db2.gz LDFBHYDOFGVKGW-HNNXBMFYSA-N 2 1 289.423 1.289 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=C)C)CCC1 ZINC001733715972 1183506526 /nfs/dbraw/zinc/50/65/26/1183506526.db2.gz LDFBHYDOFGVKGW-HNNXBMFYSA-N 2 1 289.423 1.289 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001733779730 1183532069 /nfs/dbraw/zinc/53/20/69/1183532069.db2.gz SYQJEIQCQFINQT-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001733869948 1183554981 /nfs/dbraw/zinc/55/49/81/1183554981.db2.gz LTKQMXGVZMRYQT-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001733904177 1183563514 /nfs/dbraw/zinc/56/35/14/1183563514.db2.gz ZIUSAHHNKXLSDJ-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001733904177 1183563515 /nfs/dbraw/zinc/56/35/15/1183563515.db2.gz ZIUSAHHNKXLSDJ-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001733904177 1183563516 /nfs/dbraw/zinc/56/35/16/1183563516.db2.gz ZIUSAHHNKXLSDJ-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001733900477 1183563679 /nfs/dbraw/zinc/56/36/79/1183563679.db2.gz OWCWSPGOMHWLTA-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001734121069 1183666573 /nfs/dbraw/zinc/66/65/73/1183666573.db2.gz ZVSRFKYRZRGLEU-ZDUSSCGKSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001734171203 1183681907 /nfs/dbraw/zinc/68/19/07/1183681907.db2.gz MVNWIJBTJQKTCC-PHZGNYQRSA-N 2 1 291.439 1.342 10 30 CDEEMP Cc1ccc(C[N@H+]2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1C#N ZINC000923516252 740562162 /nfs/dbraw/zinc/56/21/62/740562162.db2.gz WRXRFEZLCSTWMS-GOEBONIOSA-N 2 1 255.365 1.908 10 30 CDEEMP C#CCC1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000880481026 741269259 /nfs/dbraw/zinc/26/92/59/741269259.db2.gz LHHGUVOPZXAMKR-AWEZNQCLSA-N 2 1 250.386 1.321 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439816 1167961464 /nfs/dbraw/zinc/96/14/64/1167961464.db2.gz PUIURFCIDYFRBV-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001566439816 1167961482 /nfs/dbraw/zinc/96/14/82/1167961482.db2.gz PUIURFCIDYFRBV-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001566439816 1167961497 /nfs/dbraw/zinc/96/14/97/1167961497.db2.gz PUIURFCIDYFRBV-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001565834865 1168177476 /nfs/dbraw/zinc/17/74/76/1168177476.db2.gz CLHBBSLPVJNCFE-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001566712760 1168398460 /nfs/dbraw/zinc/39/84/60/1168398460.db2.gz QFILHSKVWZXJLQ-BMFZPTHFSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001266344023 894472665 /nfs/dbraw/zinc/47/26/65/894472665.db2.gz BLHLPXHBGCFQFP-UONOGXRCSA-N 2 1 276.384 1.601 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCC2CC2)CC1 ZINC001266362508 894569604 /nfs/dbraw/zinc/56/96/04/894569604.db2.gz KFLJVKFWQHBVNV-UHFFFAOYSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266518306 895198842 /nfs/dbraw/zinc/19/88/42/895198842.db2.gz YDTHDGULKVIZIM-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266518306 895198846 /nfs/dbraw/zinc/19/88/46/895198846.db2.gz YDTHDGULKVIZIM-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001266518306 895198850 /nfs/dbraw/zinc/19/88/50/895198850.db2.gz YDTHDGULKVIZIM-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001266880156 896271198 /nfs/dbraw/zinc/27/11/98/896271198.db2.gz HICPIBPQTCCYIX-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001266974478 896474620 /nfs/dbraw/zinc/47/46/20/896474620.db2.gz FGHPWEDWMAWUGK-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001567549624 1168847145 /nfs/dbraw/zinc/84/71/45/1168847145.db2.gz PIYRFIIPAPWBFF-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001267319323 897579802 /nfs/dbraw/zinc/57/98/02/897579802.db2.gz GUFJRCIGZBWEIA-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001267319323 897579814 /nfs/dbraw/zinc/57/98/14/897579814.db2.gz GUFJRCIGZBWEIA-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001267319323 897579828 /nfs/dbraw/zinc/57/98/28/897579828.db2.gz GUFJRCIGZBWEIA-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001267531526 898262737 /nfs/dbraw/zinc/26/27/37/898262737.db2.gz SVUQTDALIQVPKO-ZBFHGGJFSA-N 2 1 291.439 1.342 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267588301 898585780 /nfs/dbraw/zinc/58/57/80/898585780.db2.gz CHTLTPLSNZKPSW-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001481144016 898971846 /nfs/dbraw/zinc/97/18/46/898971846.db2.gz ROYGZEJYPPBWKX-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267646763 899152637 /nfs/dbraw/zinc/15/26/37/899152637.db2.gz RSPXTRVDXOYJHM-CVEARBPZSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267646763 899152648 /nfs/dbraw/zinc/15/26/48/899152648.db2.gz RSPXTRVDXOYJHM-CVEARBPZSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001267646763 899152656 /nfs/dbraw/zinc/15/26/56/899152656.db2.gz RSPXTRVDXOYJHM-CVEARBPZSA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001267780043 899712275 /nfs/dbraw/zinc/71/22/75/899712275.db2.gz YRWFLIHRICQETJ-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268004823 900257506 /nfs/dbraw/zinc/25/75/06/900257506.db2.gz IHKLKGBKGCBYLR-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001268099937 901287333 /nfs/dbraw/zinc/28/73/33/901287333.db2.gz JEYXOMZVYQTEMH-KGLIPLIRSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481582936 901368075 /nfs/dbraw/zinc/36/80/75/901368075.db2.gz UKVCYLJQWGSFHE-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001268292379 901767495 /nfs/dbraw/zinc/76/74/95/901767495.db2.gz QYPUMTSAYWDXLB-HUUCEWRRSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001481812862 902165269 /nfs/dbraw/zinc/16/52/69/902165269.db2.gz AIPIWTVRYYMQFN-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001268500283 902411508 /nfs/dbraw/zinc/41/15/08/902411508.db2.gz VJRRYIWMNVFNDW-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001482025685 902483341 /nfs/dbraw/zinc/48/33/41/902483341.db2.gz ZLLGZNIRTVMDQM-HDJSIYSDSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268662049 902916629 /nfs/dbraw/zinc/91/66/29/902916629.db2.gz VGTCEDAIZOCMCJ-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001268694869 902976495 /nfs/dbraw/zinc/97/64/95/902976495.db2.gz TUAIQCNXAMWDDF-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001269348739 903723061 /nfs/dbraw/zinc/72/30/61/903723061.db2.gz NDTLKBFQZGTPGW-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001269348739 903723069 /nfs/dbraw/zinc/72/30/69/903723069.db2.gz NDTLKBFQZGTPGW-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269348739 903723079 /nfs/dbraw/zinc/72/30/79/903723079.db2.gz NDTLKBFQZGTPGW-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001270443520 904639512 /nfs/dbraw/zinc/63/95/12/904639512.db2.gz HZBHKPGBIUFXFM-CVEARBPZSA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001482459373 905685802 /nfs/dbraw/zinc/68/58/02/905685802.db2.gz XWIFRQCDUUMDHE-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914184 1169065004 /nfs/dbraw/zinc/06/50/04/1169065004.db2.gz ARFLMWKDCMKRHT-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914184 1169065012 /nfs/dbraw/zinc/06/50/12/1169065012.db2.gz ARFLMWKDCMKRHT-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914184 1169065025 /nfs/dbraw/zinc/06/50/25/1169065025.db2.gz ARFLMWKDCMKRHT-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482651666 908121963 /nfs/dbraw/zinc/12/19/63/908121963.db2.gz IGXQWPGSVPYJEW-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482651666 908121968 /nfs/dbraw/zinc/12/19/68/908121968.db2.gz IGXQWPGSVPYJEW-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483408630 911075242 /nfs/dbraw/zinc/07/52/42/911075242.db2.gz QGADIOVYGZPVRS-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483408630 911075260 /nfs/dbraw/zinc/07/52/60/911075260.db2.gz QGADIOVYGZPVRS-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483408630 911075278 /nfs/dbraw/zinc/07/52/78/911075278.db2.gz QGADIOVYGZPVRS-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001483408633 911078779 /nfs/dbraw/zinc/07/87/79/911078779.db2.gz QGADIOVYGZPVRS-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483408633 911078797 /nfs/dbraw/zinc/07/87/97/911078797.db2.gz QGADIOVYGZPVRS-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001483408633 911078813 /nfs/dbraw/zinc/07/88/13/911078813.db2.gz QGADIOVYGZPVRS-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001648659517 1169146940 /nfs/dbraw/zinc/14/69/40/1169146940.db2.gz FMSIKTOXGLCABG-OAGGEKHMSA-N 2 1 264.413 1.731 10 30 CDEEMP C=C(C)[C@@H](CO)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659517 1169146950 /nfs/dbraw/zinc/14/69/50/1169146950.db2.gz FMSIKTOXGLCABG-OAGGEKHMSA-N 2 1 264.413 1.731 10 30 CDEEMP C=C(C)[C@@H](CO)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659517 1169146954 /nfs/dbraw/zinc/14/69/54/1169146954.db2.gz FMSIKTOXGLCABG-OAGGEKHMSA-N 2 1 264.413 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001484372767 915690046 /nfs/dbraw/zinc/69/00/46/915690046.db2.gz VKVOCOZKPNDEFA-JSGCOSHPSA-N 2 1 276.384 1.062 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485065416 916443258 /nfs/dbraw/zinc/44/32/58/916443258.db2.gz KBPPODUTNJKDDI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001485065416 916443269 /nfs/dbraw/zinc/44/32/69/916443269.db2.gz KBPPODUTNJKDDI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568207561 1169177785 /nfs/dbraw/zinc/17/77/85/1169177785.db2.gz CFPGRJNLBCLDNF-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001485433105 916965831 /nfs/dbraw/zinc/96/58/31/916965831.db2.gz KHKQMQWMRZHDGQ-BZUAXINKSA-N 2 1 293.455 1.423 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CCCC ZINC001273524038 920103750 /nfs/dbraw/zinc/10/37/50/920103750.db2.gz LBCLANMQMYTQAR-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CCCC ZINC001273524038 920103762 /nfs/dbraw/zinc/10/37/62/920103762.db2.gz LBCLANMQMYTQAR-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCC ZINC001273524038 920103768 /nfs/dbraw/zinc/10/37/68/920103768.db2.gz LBCLANMQMYTQAR-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCCC ZINC001273524038 920103780 /nfs/dbraw/zinc/10/37/80/920103780.db2.gz LBCLANMQMYTQAR-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=C(C)C[NH+]1CC=C(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001486519776 921093589 /nfs/dbraw/zinc/09/35/89/921093589.db2.gz XJQBLJZKNWKAAN-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001486519776 921093602 /nfs/dbraw/zinc/09/36/02/921093602.db2.gz XJQBLJZKNWKAAN-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001486519776 921093615 /nfs/dbraw/zinc/09/36/15/921093615.db2.gz XJQBLJZKNWKAAN-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001491079254 936851733 /nfs/dbraw/zinc/85/17/33/936851733.db2.gz IVYZOYDWRLNRPE-MELADBBJSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCC1 ZINC001273200691 924496033 /nfs/dbraw/zinc/49/60/33/924496033.db2.gz FBRXNQJGPHHXMF-HNNXBMFYSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001494987204 926609166 /nfs/dbraw/zinc/60/91/66/926609166.db2.gz HQKUKWCFLMJJSM-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001488735099 926670208 /nfs/dbraw/zinc/67/02/08/926670208.db2.gz JGDMUXOCZFTAOB-XHSDSOJGSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275558866 931877467 /nfs/dbraw/zinc/87/74/67/931877467.db2.gz GTPUUJFWYOVXIS-KBPBESRZSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001275558866 931877470 /nfs/dbraw/zinc/87/74/70/931877470.db2.gz GTPUUJFWYOVXIS-KBPBESRZSA-N 2 1 290.411 1.466 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275628968 931915486 /nfs/dbraw/zinc/91/54/86/931915486.db2.gz IMTRAIKIUSFVAP-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001568633226 1169409293 /nfs/dbraw/zinc/40/92/93/1169409293.db2.gz AIRGAWJYQMWKOI-KBPBESRZSA-N 2 1 290.411 1.514 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001277060348 941892366 /nfs/dbraw/zinc/89/23/66/941892366.db2.gz NATROGHKYSVBOM-AWEZNQCLSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC1 ZINC001277210500 942178333 /nfs/dbraw/zinc/17/83/33/942178333.db2.gz NJMGZHRQTGBIST-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC1 ZINC001277210500 942178335 /nfs/dbraw/zinc/17/83/35/942178335.db2.gz NJMGZHRQTGBIST-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001281572953 942595755 /nfs/dbraw/zinc/59/57/55/942595755.db2.gz XSDVBDUPRZGERR-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001281572953 942595759 /nfs/dbraw/zinc/59/57/59/942595759.db2.gz XSDVBDUPRZGERR-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001281572953 942595762 /nfs/dbraw/zinc/59/57/62/942595762.db2.gz XSDVBDUPRZGERR-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001282390794 942704679 /nfs/dbraw/zinc/70/46/79/942704679.db2.gz IQGLLGNXKDTISW-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001282390794 942704686 /nfs/dbraw/zinc/70/46/86/942704686.db2.gz IQGLLGNXKDTISW-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001282390794 942704689 /nfs/dbraw/zinc/70/46/89/942704689.db2.gz IQGLLGNXKDTISW-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH2+]C[C@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001282652901 942735682 /nfs/dbraw/zinc/73/56/82/942735682.db2.gz CIDKUDCVCDCUAA-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282743972 942749011 /nfs/dbraw/zinc/74/90/11/942749011.db2.gz GTJXBUJYLNZVLG-LBPRGKRZSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001283344694 942882002 /nfs/dbraw/zinc/88/20/02/942882002.db2.gz WWKLFGTXVIHKJE-UHFFFAOYSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001284153477 943091809 /nfs/dbraw/zinc/09/18/09/943091809.db2.gz KZFFPGJOMHEDEB-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001284153477 943091816 /nfs/dbraw/zinc/09/18/16/943091816.db2.gz KZFFPGJOMHEDEB-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001284153477 943091823 /nfs/dbraw/zinc/09/18/23/943091823.db2.gz KZFFPGJOMHEDEB-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284180946 943099578 /nfs/dbraw/zinc/09/95/78/943099578.db2.gz UNBFENGZANWWJP-LSDHHAIUSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC001284292991 943140705 /nfs/dbraw/zinc/14/07/05/943140705.db2.gz LNNFRHDBADEIMO-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001277974546 944300756 /nfs/dbraw/zinc/30/07/56/944300756.db2.gz VMAGNRYVSIBJKI-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265312097 944336553 /nfs/dbraw/zinc/33/65/53/944336553.db2.gz HFXVYEYGVCWBGQ-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265394654 944373661 /nfs/dbraw/zinc/37/36/61/944373661.db2.gz GDFDHIPLGHZJPF-OAHLLOKOSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC(C)C)C1 ZINC001265435328 944385816 /nfs/dbraw/zinc/38/58/16/944385816.db2.gz AUOUTQMYZFPEKK-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCC(C)C)C1 ZINC001265435328 944385821 /nfs/dbraw/zinc/38/58/21/944385821.db2.gz AUOUTQMYZFPEKK-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001265978560 944611405 /nfs/dbraw/zinc/61/14/05/944611405.db2.gz QLCMRIBZSJPOSS-UHFFFAOYSA-N 2 1 289.423 1.986 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001266112298 944686580 /nfs/dbraw/zinc/68/65/80/944686580.db2.gz KPYDFONALCXRQO-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001266112298 944686587 /nfs/dbraw/zinc/68/65/87/944686587.db2.gz KPYDFONALCXRQO-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001266112298 944686593 /nfs/dbraw/zinc/68/65/93/944686593.db2.gz KPYDFONALCXRQO-IYBDPMFKSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CC)CC1 ZINC001278087655 944732779 /nfs/dbraw/zinc/73/27/79/944732779.db2.gz IQUZBUKDLIJZIR-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+](CC)C2)CCC[NH2+]1 ZINC001261643675 946209497 /nfs/dbraw/zinc/20/94/97/946209497.db2.gz ASTZHPNRHKXCNN-GDBMZVCRSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001279036244 948628411 /nfs/dbraw/zinc/62/84/11/948628411.db2.gz ZDGCHMCUHDUAPY-ZDUSSCGKSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001479968263 971515731 /nfs/dbraw/zinc/51/57/31/971515731.db2.gz DITQQDQKIQHCTL-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001479968263 971515738 /nfs/dbraw/zinc/51/57/38/971515738.db2.gz DITQQDQKIQHCTL-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001479968263 971515746 /nfs/dbraw/zinc/51/57/46/971515746.db2.gz DITQQDQKIQHCTL-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001480228075 971637899 /nfs/dbraw/zinc/63/78/99/971637899.db2.gz SKAFTWFMDHJGGQ-QXSJWSMHSA-N 2 1 289.423 1.263 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001480486732 971752029 /nfs/dbraw/zinc/75/20/29/971752029.db2.gz OMVGGRSTLHSMFP-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001324648082 953496011 /nfs/dbraw/zinc/49/60/11/953496011.db2.gz SJWHXBHZSOGBHB-HOCLYGCPSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001324674888 953511628 /nfs/dbraw/zinc/51/16/28/953511628.db2.gz RUNCYNQDGDJPNI-OAHLLOKOSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001324961471 953658125 /nfs/dbraw/zinc/65/81/25/953658125.db2.gz RNPXDPBZAHFJNX-MRXNPFEDSA-N 2 1 288.395 1.194 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)Cc2cnc[nH]2)C1 ZINC001324961471 953658141 /nfs/dbraw/zinc/65/81/41/953658141.db2.gz RNPXDPBZAHFJNX-MRXNPFEDSA-N 2 1 288.395 1.194 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569153298 1169695650 /nfs/dbraw/zinc/69/56/50/1169695650.db2.gz RUCJXDPEXCOXDC-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317176737 955291700 /nfs/dbraw/zinc/29/17/00/955291700.db2.gz DMTGLQGFKBHEJF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317176737 955291707 /nfs/dbraw/zinc/29/17/07/955291707.db2.gz DMTGLQGFKBHEJF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317176737 955291711 /nfs/dbraw/zinc/29/17/11/955291711.db2.gz DMTGLQGFKBHEJF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493724343 972106262 /nfs/dbraw/zinc/10/62/62/972106262.db2.gz BGMIQWLDPDTKRT-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493724348 972106384 /nfs/dbraw/zinc/10/63/84/972106384.db2.gz BGMIQWLDPDTKRT-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001492176351 955668000 /nfs/dbraw/zinc/66/80/00/955668000.db2.gz XGZXMKKORPDWBX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001421992988 955690133 /nfs/dbraw/zinc/69/01/33/955690133.db2.gz NDNCAQUXZKZYEE-CHWSQXEVSA-N 2 1 287.835 1.517 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001492359049 955828654 /nfs/dbraw/zinc/82/86/54/955828654.db2.gz NUFMSMQBXPWEBO-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001492450390 955894377 /nfs/dbraw/zinc/89/43/77/955894377.db2.gz PKAHSOAZWLBWAZ-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001492450390 955894393 /nfs/dbraw/zinc/89/43/93/955894393.db2.gz PKAHSOAZWLBWAZ-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001330001961 956230008 /nfs/dbraw/zinc/23/00/08/956230008.db2.gz ZBAHKNWQHWLZST-AWEZNQCLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001330054435 956253887 /nfs/dbraw/zinc/25/38/87/956253887.db2.gz OUDQTRIDRAXGBS-CYBMUJFWSA-N 2 1 281.444 1.587 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001569232290 1169730255 /nfs/dbraw/zinc/73/02/55/1169730255.db2.gz RDPIGHVSGVQXQC-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494078196 972172792 /nfs/dbraw/zinc/17/27/92/972172792.db2.gz GZKLBJSAIIMDDM-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494078196 972172798 /nfs/dbraw/zinc/17/27/98/972172798.db2.gz GZKLBJSAIIMDDM-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494078196 972172799 /nfs/dbraw/zinc/17/27/99/972172799.db2.gz GZKLBJSAIIMDDM-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480727146 956646589 /nfs/dbraw/zinc/64/65/89/956646589.db2.gz QMANETAAXXJDHN-HUUCEWRRSA-N 2 1 299.434 1.775 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001331473451 957087661 /nfs/dbraw/zinc/08/76/61/957087661.db2.gz FRTMNISUPKNCRP-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001316915635 957122162 /nfs/dbraw/zinc/12/21/62/957122162.db2.gz VZMNLYZUUGSIKY-INIZCTEOSA-N 2 1 291.439 1.485 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317206056 957344390 /nfs/dbraw/zinc/34/43/90/957344390.db2.gz RANQLDRWCNGLAO-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001317206056 957344402 /nfs/dbraw/zinc/34/44/02/957344402.db2.gz RANQLDRWCNGLAO-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001317206056 957344411 /nfs/dbraw/zinc/34/44/11/957344411.db2.gz RANQLDRWCNGLAO-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317382670 957444389 /nfs/dbraw/zinc/44/43/89/957444389.db2.gz ZSTBJKDXTKPTLC-OAHLLOKOSA-N 2 1 277.412 1.028 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001317600942 957592178 /nfs/dbraw/zinc/59/21/78/957592178.db2.gz OLMIYIGGWDLPKG-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317812462 957673657 /nfs/dbraw/zinc/67/36/57/957673657.db2.gz ZHQUUKGZTWRXEA-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001317812462 957673666 /nfs/dbraw/zinc/67/36/66/957673666.db2.gz ZHQUUKGZTWRXEA-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC001318726478 958245684 /nfs/dbraw/zinc/24/56/84/958245684.db2.gz IMZXFUZJCMFLKS-MRXNPFEDSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]21 ZINC001320113818 958945207 /nfs/dbraw/zinc/94/52/07/958945207.db2.gz ZXSZELGFRRCRIA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001320113818 958945218 /nfs/dbraw/zinc/94/52/18/958945218.db2.gz ZXSZELGFRRCRIA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001320113818 958945227 /nfs/dbraw/zinc/94/52/27/958945227.db2.gz ZXSZELGFRRCRIA-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001495211641 972437730 /nfs/dbraw/zinc/43/77/30/972437730.db2.gz XUEGULSEYFISGD-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H](C)CC ZINC001321095715 959589640 /nfs/dbraw/zinc/58/96/40/959589640.db2.gz DHPWWOLWZCCBCP-MIVXPEEVSA-N 2 1 291.439 1.392 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@@H](C)CC ZINC001321095715 959589650 /nfs/dbraw/zinc/58/96/50/959589650.db2.gz DHPWWOLWZCCBCP-MIVXPEEVSA-N 2 1 291.439 1.392 10 30 CDEEMP C=CCCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001495236693 972454697 /nfs/dbraw/zinc/45/46/97/972454697.db2.gz YHPYUCLGPDRBAH-DOTOQJQBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001321419331 959776900 /nfs/dbraw/zinc/77/69/00/959776900.db2.gz OVTLZHRWCWTMPA-LFAOLKIESA-N 2 1 279.428 1.699 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321866198 959991921 /nfs/dbraw/zinc/99/19/21/959991921.db2.gz JPTZRZAGAGBGDY-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001322170795 960121419 /nfs/dbraw/zinc/12/14/19/960121419.db2.gz YUFCIAIMRSUVPG-GFCCVEGCSA-N 2 1 264.373 1.355 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001322170795 960121423 /nfs/dbraw/zinc/12/14/23/960121423.db2.gz YUFCIAIMRSUVPG-GFCCVEGCSA-N 2 1 264.373 1.355 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001323016033 960408587 /nfs/dbraw/zinc/40/85/87/960408587.db2.gz TXJFDZIZPZNSGC-HOTGVXAUSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(C)C)C1CC1 ZINC001323016033 960408599 /nfs/dbraw/zinc/40/85/99/960408599.db2.gz TXJFDZIZPZNSGC-HOTGVXAUSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001371618037 972568437 /nfs/dbraw/zinc/56/84/37/972568437.db2.gz QXUSDNHHCHAKEZ-JSGCOSHPSA-N 2 1 299.846 1.519 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001495671142 972586818 /nfs/dbraw/zinc/58/68/18/972586818.db2.gz YVFNIPLTNSJKAO-SOUVJXGZSA-N 2 1 281.444 1.635 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001496277801 972869839 /nfs/dbraw/zinc/86/98/39/972869839.db2.gz CNTTVRWHVYAYIN-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001497305486 973282005 /nfs/dbraw/zinc/28/20/05/973282005.db2.gz YHZMMFSCYKSPPQ-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(C)C ZINC001497404366 973333906 /nfs/dbraw/zinc/33/39/06/973333906.db2.gz WHKNZCAGOYFUSS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(C)C ZINC001497404366 973333916 /nfs/dbraw/zinc/33/39/16/973333916.db2.gz WHKNZCAGOYFUSS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497615420 973436615 /nfs/dbraw/zinc/43/66/15/973436615.db2.gz MLRUEBMQXRLXOP-LMVHVUTASA-N 2 1 265.401 1.309 10 30 CDEEMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498457421 973928742 /nfs/dbraw/zinc/92/87/42/973928742.db2.gz NJCAHPVEPGLGIJ-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498457421 973928749 /nfs/dbraw/zinc/92/87/49/973928749.db2.gz NJCAHPVEPGLGIJ-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001502398481 974734064 /nfs/dbraw/zinc/73/40/64/974734064.db2.gz BGWVWSVCVVVXTJ-UHFFFAOYSA-N 2 1 293.455 1.666 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001505736396 974977207 /nfs/dbraw/zinc/97/72/07/974977207.db2.gz SNOVWWVALVBORE-RYUDHWBXSA-N 2 1 275.824 1.564 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505833664 974997679 /nfs/dbraw/zinc/99/76/79/974997679.db2.gz OENWLSSLBZSVFX-AWEZNQCLSA-N 2 1 281.444 1.588 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507160613 975359393 /nfs/dbraw/zinc/35/93/93/975359393.db2.gz TWGSDQAFISLQJS-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507160613 975359400 /nfs/dbraw/zinc/35/94/00/975359400.db2.gz TWGSDQAFISLQJS-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001401866366 975958661 /nfs/dbraw/zinc/95/86/61/975958661.db2.gz JJJSIOMYJXZNNL-SMDDNHRTSA-N 2 1 299.846 1.565 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001398534032 976024846 /nfs/dbraw/zinc/02/48/46/976024846.db2.gz QLOXHBCGULVFJI-LBPRGKRZSA-N 2 1 273.808 1.270 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001675263613 1174090002 /nfs/dbraw/zinc/09/00/02/1174090002.db2.gz VZJJENIDFPQZMV-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001676754940 1174266900 /nfs/dbraw/zinc/26/69/00/1174266900.db2.gz HXRRDIMEOQGXPA-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001571417436 1170419978 /nfs/dbraw/zinc/41/99/78/1170419978.db2.gz CXNYXVKYDOSTLY-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001571417436 1170419983 /nfs/dbraw/zinc/41/99/83/1170419983.db2.gz CXNYXVKYDOSTLY-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594445408 342908478 /nfs/dbraw/zinc/90/84/78/342908478.db2.gz KDFBVABFPHXYQC-AWEZNQCLSA-N 2 1 291.399 1.451 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600719899 342244559 /nfs/dbraw/zinc/24/45/59/342244559.db2.gz FLUAYAORAJXLNA-GJZGRUSLSA-N 2 1 279.428 1.751 10 30 CDEEMP N#CCSCCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595866372 343175737 /nfs/dbraw/zinc/17/57/37/343175737.db2.gz LBHVEEBCKLLDGB-AWEZNQCLSA-N 2 1 283.441 1.164 10 30 CDEEMP N#CCSCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000595866372 343175739 /nfs/dbraw/zinc/17/57/39/343175739.db2.gz LBHVEEBCKLLDGB-AWEZNQCLSA-N 2 1 283.441 1.164 10 30 CDEEMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(C#N)CCCCC1 ZINC000596651296 343371315 /nfs/dbraw/zinc/37/13/15/343371315.db2.gz MAGXVQXZIFAJML-IHRRRGAJSA-N 2 1 265.401 1.802 10 30 CDEEMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096412 198161396 /nfs/dbraw/zinc/16/13/96/198161396.db2.gz HILHZNPNXNUDKC-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096412 198161397 /nfs/dbraw/zinc/16/13/97/198161397.db2.gz HILHZNPNXNUDKC-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096412 198161398 /nfs/dbraw/zinc/16/13/98/198161398.db2.gz HILHZNPNXNUDKC-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096412 198161399 /nfs/dbraw/zinc/16/13/99/198161399.db2.gz HILHZNPNXNUDKC-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000344611757 357041948 /nfs/dbraw/zinc/04/19/48/357041948.db2.gz BHNLAXURKJICOK-JSGCOSHPSA-N 2 1 283.379 1.778 10 30 CDEEMP C[C@H]1C[C@@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000344611757 357041949 /nfs/dbraw/zinc/04/19/49/357041949.db2.gz BHNLAXURKJICOK-JSGCOSHPSA-N 2 1 283.379 1.778 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001662512192 1172556266 /nfs/dbraw/zinc/55/62/66/1172556266.db2.gz KYQUVFJJCBUXFK-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001663201339 1172656144 /nfs/dbraw/zinc/65/61/44/1172656144.db2.gz PXWQQGWCBCJTFR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001663201339 1172656146 /nfs/dbraw/zinc/65/61/46/1172656146.db2.gz PXWQQGWCBCJTFR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001663201339 1172656149 /nfs/dbraw/zinc/65/61/49/1172656149.db2.gz PXWQQGWCBCJTFR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000647525251 390671893 /nfs/dbraw/zinc/67/18/93/390671893.db2.gz IHOCODCAKFTGFF-HZPDHXFCSA-N 2 1 278.396 1.006 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000647525251 390671896 /nfs/dbraw/zinc/67/18/96/390671896.db2.gz IHOCODCAKFTGFF-HZPDHXFCSA-N 2 1 278.396 1.006 10 30 CDEEMP COc1c[nH+]ccc1N1CC[NH+](CCOCCC#N)CC1 ZINC000339146331 391260061 /nfs/dbraw/zinc/26/00/61/391260061.db2.gz YTULLHSRHIKGJL-UHFFFAOYSA-N 2 1 290.367 1.142 10 30 CDEEMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353619838 391398434 /nfs/dbraw/zinc/39/84/34/391398434.db2.gz JDSVUPHDWFTOLH-YJNKXOJESA-N 2 1 252.402 1.633 10 30 CDEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657870884 413063773 /nfs/dbraw/zinc/06/37/73/413063773.db2.gz RDOMQXOYPSFBSU-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001663612569 1172734012 /nfs/dbraw/zinc/73/40/12/1172734012.db2.gz HTNSSXKTABLVCJ-CQSZACIVSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662712831 413362720 /nfs/dbraw/zinc/36/27/20/413362720.db2.gz LQRBOKBBWXXTRD-SWLSCSKDSA-N 2 1 265.401 1.284 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@@H+](CCO)C1CCCC1 ZINC000043684174 175092687 /nfs/dbraw/zinc/09/26/87/175092687.db2.gz ADMQBESQAWVSRC-UHFFFAOYSA-N 2 1 278.421 1.795 10 30 CDEEMP CC(=O)N1CCC[N@H+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684236 175092841 /nfs/dbraw/zinc/09/28/41/175092841.db2.gz FXRIPAZFZTYHIN-UHFFFAOYSA-N 2 1 291.420 1.113 10 30 CDEEMP CC(=O)N1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043684236 175092842 /nfs/dbraw/zinc/09/28/42/175092842.db2.gz FXRIPAZFZTYHIN-UHFFFAOYSA-N 2 1 291.420 1.113 10 30 CDEEMP CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689061 175095874 /nfs/dbraw/zinc/09/58/74/175095874.db2.gz AQKFUMQXJYNPCC-CQSZACIVSA-N 2 1 291.420 1.159 10 30 CDEEMP CNC(=O)[C@H]1CCCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689061 175095876 /nfs/dbraw/zinc/09/58/76/175095876.db2.gz AQKFUMQXJYNPCC-CQSZACIVSA-N 2 1 291.420 1.159 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001665888088 1173080584 /nfs/dbraw/zinc/08/05/84/1173080584.db2.gz NNIPKSYUZIADFZ-ZDUSSCGKSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001666000335 1173099930 /nfs/dbraw/zinc/09/99/30/1173099930.db2.gz NUMOKEJPFBIWSX-DOTOQJQBSA-N 2 1 293.455 1.921 10 30 CDEEMP O=C(NCC1CC[NH+](CCO)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000330336190 228155380 /nfs/dbraw/zinc/15/53/80/228155380.db2.gz ZHZDOTKMXKCHHC-OAHLLOKOSA-N 2 1 295.427 1.274 10 30 CDEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001667426488 1173265401 /nfs/dbraw/zinc/26/54/01/1173265401.db2.gz ONCHNKSDJFIXCH-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001673470807 1173860976 /nfs/dbraw/zinc/86/09/76/1173860976.db2.gz AVVPCDLLUGLCIB-UHFFFAOYSA-N 2 1 295.471 1.768 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001673470807 1173860979 /nfs/dbraw/zinc/86/09/79/1173860979.db2.gz AVVPCDLLUGLCIB-UHFFFAOYSA-N 2 1 295.471 1.768 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001673470807 1173860983 /nfs/dbraw/zinc/86/09/83/1173860983.db2.gz AVVPCDLLUGLCIB-UHFFFAOYSA-N 2 1 295.471 1.768 10 30 CDEEMP C=CCC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001673997046 1173904958 /nfs/dbraw/zinc/90/49/58/1173904958.db2.gz ITUMPIZDDZNASJ-UHFFFAOYSA-N 2 1 290.411 1.738 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262454753 330014248 /nfs/dbraw/zinc/01/42/48/330014248.db2.gz KUQMDBZUNKOAMG-KBPBESRZSA-N 2 1 282.432 1.142 10 30 CDEEMP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000263288530 330051815 /nfs/dbraw/zinc/05/18/15/330051815.db2.gz VKJXHNHRTGXOHQ-JSGCOSHPSA-N 2 1 296.798 1.575 10 30 CDEEMP C#CC[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267536721 1159444366 /nfs/dbraw/zinc/44/43/66/1159444366.db2.gz ZDODLXPMMCGVFL-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267536721 1159444369 /nfs/dbraw/zinc/44/43/69/1159444369.db2.gz ZDODLXPMMCGVFL-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267536721 1159444373 /nfs/dbraw/zinc/44/43/73/1159444373.db2.gz ZDODLXPMMCGVFL-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001699440879 1159643172 /nfs/dbraw/zinc/64/31/72/1159643172.db2.gz HSOFFROPCRWHFY-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699440879 1159643174 /nfs/dbraw/zinc/64/31/74/1159643174.db2.gz HSOFFROPCRWHFY-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699440879 1159643176 /nfs/dbraw/zinc/64/31/76/1159643176.db2.gz HSOFFROPCRWHFY-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001270737329 1160143399 /nfs/dbraw/zinc/14/33/99/1160143399.db2.gz KKFPAEGDZBUJHF-RDJZCZTQSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001700976370 1177221789 /nfs/dbraw/zinc/22/17/89/1177221789.db2.gz QWMAQHGBYIDIBF-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001700976370 1177221795 /nfs/dbraw/zinc/22/17/95/1177221795.db2.gz QWMAQHGBYIDIBF-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001700976370 1177221801 /nfs/dbraw/zinc/22/18/01/1177221801.db2.gz QWMAQHGBYIDIBF-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713310575 1178489171 /nfs/dbraw/zinc/48/91/71/1178489171.db2.gz XJXXUTGMCUIPOO-ZIAGYGMSSA-N 2 1 267.417 1.530 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1 ZINC000049608323 527148675 /nfs/dbraw/zinc/14/86/75/527148675.db2.gz AQXIOJSOIGUUDP-MRXNPFEDSA-N 2 1 258.365 1.201 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001688946283 1175074576 /nfs/dbraw/zinc/07/45/76/1175074576.db2.gz VYJMKKMYSDDKBZ-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001690198005 1175400737 /nfs/dbraw/zinc/40/07/37/1175400737.db2.gz ZIUWAXOUFVLDGV-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001690198005 1175400743 /nfs/dbraw/zinc/40/07/43/1175400743.db2.gz ZIUWAXOUFVLDGV-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001690198005 1175400746 /nfs/dbraw/zinc/40/07/46/1175400746.db2.gz ZIUWAXOUFVLDGV-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618162 613328413 /nfs/dbraw/zinc/32/84/13/613328413.db2.gz PHUBXVZYZROFDG-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618162 613328414 /nfs/dbraw/zinc/32/84/14/613328414.db2.gz PHUBXVZYZROFDG-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940618162 613328416 /nfs/dbraw/zinc/32/84/16/613328416.db2.gz PHUBXVZYZROFDG-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940617288 613522443 /nfs/dbraw/zinc/52/24/43/613522443.db2.gz IFPPBUKEQKKOAP-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940617288 613522446 /nfs/dbraw/zinc/52/24/46/613522446.db2.gz IFPPBUKEQKKOAP-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940617288 613522448 /nfs/dbraw/zinc/52/24/48/613522448.db2.gz IFPPBUKEQKKOAP-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941221621 613537330 /nfs/dbraw/zinc/53/73/30/613537330.db2.gz YXJGOJLJZIENRC-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221621 613537332 /nfs/dbraw/zinc/53/73/32/613537332.db2.gz YXJGOJLJZIENRC-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221621 613537334 /nfs/dbraw/zinc/53/73/34/613537334.db2.gz YXJGOJLJZIENRC-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000104168115 617985754 /nfs/dbraw/zinc/98/57/54/617985754.db2.gz RKWVGNABJJRMFV-ZDUSSCGKSA-N 2 1 254.422 1.811 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923363224 618322429 /nfs/dbraw/zinc/32/24/29/618322429.db2.gz AMKLQQQZIZGRFV-SOUVJXGZSA-N 2 1 252.402 1.778 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+]3C[C@@H]2CCC3)CC1 ZINC000924983747 618538811 /nfs/dbraw/zinc/53/88/11/618538811.db2.gz FOQCXMPSMADHIR-HOCLYGCPSA-N 2 1 263.429 1.711 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+]3C[C@@H]2CCC3)CC1 ZINC000924983747 618538817 /nfs/dbraw/zinc/53/88/17/618538817.db2.gz FOQCXMPSMADHIR-HOCLYGCPSA-N 2 1 263.429 1.711 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898839147 621888904 /nfs/dbraw/zinc/88/89/04/621888904.db2.gz KTDVUCXFZWFEPK-RRFJBIMHSA-N 2 1 289.423 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898839147 621888908 /nfs/dbraw/zinc/88/89/08/621888908.db2.gz KTDVUCXFZWFEPK-RRFJBIMHSA-N 2 1 289.423 1.073 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 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1.438 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001724586383 1158579080 /nfs/dbraw/zinc/57/90/80/1158579080.db2.gz GIIWHKLKRZCNIS-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001699933688 1158848415 /nfs/dbraw/zinc/84/84/15/1158848415.db2.gz JABRUKXJIGCTHP-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691097712 1158907631 /nfs/dbraw/zinc/90/76/31/1158907631.db2.gz QTKCNKWJNNETKN-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691097712 1158907636 /nfs/dbraw/zinc/90/76/36/1158907636.db2.gz QTKCNKWJNNETKN-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001691097712 1158907641 /nfs/dbraw/zinc/90/76/41/1158907641.db2.gz QTKCNKWJNNETKN-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700195945 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CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001692005482 1175665357 /nfs/dbraw/zinc/66/53/57/1175665357.db2.gz ZAVFHRNQIUHEAK-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692104499 1175676582 /nfs/dbraw/zinc/67/65/82/1175676582.db2.gz OERPMKDYZSBUKC-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001692202604 1175699341 /nfs/dbraw/zinc/69/93/41/1175699341.db2.gz LWOMBIKQXWRWRT-KGLIPLIRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001692202604 1175699345 /nfs/dbraw/zinc/69/93/45/1175699345.db2.gz LWOMBIKQXWRWRT-KGLIPLIRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001692202604 1175699348 /nfs/dbraw/zinc/69/93/48/1175699348.db2.gz LWOMBIKQXWRWRT-KGLIPLIRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001698862105 1175968764 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CC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001700323821 1176851125 /nfs/dbraw/zinc/85/11/25/1176851125.db2.gz NGWVJQSOGCPNLK-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001700323821 1176851131 /nfs/dbraw/zinc/85/11/31/1176851131.db2.gz NGWVJQSOGCPNLK-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001700323821 1176851140 /nfs/dbraw/zinc/85/11/40/1176851140.db2.gz NGWVJQSOGCPNLK-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001700364161 1176874900 /nfs/dbraw/zinc/87/49/00/1176874900.db2.gz OYQHRNLJNODZDC-HNNXBMFYSA-N 2 1 291.439 1.581 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)CCCC[NH+](C)C)CCC[C@@H]12 ZINC001700870113 1177171201 /nfs/dbraw/zinc/17/12/01/1177171201.db2.gz YRTFROOLSJQZKV-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001701029309 1177244977 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C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717354715 1180626761 /nfs/dbraw/zinc/62/67/61/1180626761.db2.gz LCQKLZFWEAEYGX-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001717354715 1180626764 /nfs/dbraw/zinc/62/67/64/1180626764.db2.gz LCQKLZFWEAEYGX-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001717479506 1180698413 /nfs/dbraw/zinc/69/84/13/1180698413.db2.gz QJEDNEAYEJABQB-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001717490517 1180705174 /nfs/dbraw/zinc/70/51/74/1180705174.db2.gz OQKZGDJFWLHBQU-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001717529277 1180723180 /nfs/dbraw/zinc/72/31/80/1180723180.db2.gz RADHVOVAULHNID-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001717739425 1180818911 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CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725010989 1181823624 /nfs/dbraw/zinc/82/36/24/1181823624.db2.gz CXXUFNUBSGLOIP-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001725612531 1182072411 /nfs/dbraw/zinc/07/24/11/1182072411.db2.gz XWJQSYGLVGJBLZ-YOEHRIQHSA-N 2 1 291.439 1.627 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001725649771 1182087378 /nfs/dbraw/zinc/08/73/78/1182087378.db2.gz BIIUFGHUXKJKGR-GJZGRUSLSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001731397675 1182359438 /nfs/dbraw/zinc/35/94/38/1182359438.db2.gz URRIAVNHWSIIHE-KGLIPLIRSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731412825 1182372557 /nfs/dbraw/zinc/37/25/57/1182372557.db2.gz JBPRRLUJYSLERU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731412825 1182372565 /nfs/dbraw/zinc/37/25/65/1182372565.db2.gz JBPRRLUJYSLERU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001731412825 1182372570 /nfs/dbraw/zinc/37/25/70/1182372570.db2.gz JBPRRLUJYSLERU-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001731479169 1182410657 /nfs/dbraw/zinc/41/06/57/1182410657.db2.gz NKWBPJNAQAAHEM-XUWVNRHRSA-N 2 1 289.423 1.263 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001731849835 1182626567 /nfs/dbraw/zinc/62/65/67/1182626567.db2.gz UJZRVSNTZOVVQN-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001731849835 1182626573 /nfs/dbraw/zinc/62/65/73/1182626573.db2.gz UJZRVSNTZOVVQN-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001731876267 1182646157 /nfs/dbraw/zinc/64/61/57/1182646157.db2.gz GKPUOQBBDNWBSE-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001731876267 1182646159 /nfs/dbraw/zinc/64/61/59/1182646159.db2.gz GKPUOQBBDNWBSE-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CCC)C1CC1 ZINC001731876267 1182646161 /nfs/dbraw/zinc/64/61/61/1182646161.db2.gz GKPUOQBBDNWBSE-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001731881352 1182648196 /nfs/dbraw/zinc/64/81/96/1182648196.db2.gz CWJYRCTUXMRISW-UHFFFAOYSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[N@H+](CCNC(=O)Cn1cc[nH+]c1C(C)C)C1CC1 ZINC001731881352 1182648201 /nfs/dbraw/zinc/64/82/01/1182648201.db2.gz CWJYRCTUXMRISW-UHFFFAOYSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001732206156 1182857177 /nfs/dbraw/zinc/85/71/77/1182857177.db2.gz AZMLXLODJMQKDB-ZIAGYGMSSA-N 2 1 290.411 1.424 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCF)CC(C)C ZINC001732464879 1182979310 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CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485578054 917107684 /nfs/dbraw/zinc/10/76/84/917107684.db2.gz SUUDQQDLNNZAKK-ZDUSSCGKSA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[N@H+]1C[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001485583491 917110609 /nfs/dbraw/zinc/11/06/09/917110609.db2.gz BMGMVGAUJDMUFP-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001485583491 917110616 /nfs/dbraw/zinc/11/06/16/917110616.db2.gz BMGMVGAUJDMUFP-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001485583491 917110620 /nfs/dbraw/zinc/11/06/20/917110620.db2.gz BMGMVGAUJDMUFP-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272866134 919925562 /nfs/dbraw/zinc/92/55/62/919925562.db2.gz RUPGCAQVKKUJTH-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001272865136 919927197 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C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001489148080 926809504 /nfs/dbraw/zinc/80/95/04/926809504.db2.gz WSLJTKGJYYWPNR-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001489148080 926809515 /nfs/dbraw/zinc/80/95/15/926809515.db2.gz WSLJTKGJYYWPNR-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489350061 926877699 /nfs/dbraw/zinc/87/76/99/926877699.db2.gz NXQRWSMPQKNOSE-LSDHHAIUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001568476934 1169309710 /nfs/dbraw/zinc/30/97/10/1169309710.db2.gz QJGKUHVNHPVWQN-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001568476934 1169309718 /nfs/dbraw/zinc/30/97/18/1169309718.db2.gz QJGKUHVNHPVWQN-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001568476934 1169309728 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CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001276146648 932564735 /nfs/dbraw/zinc/56/47/35/932564735.db2.gz HQJCAZNRHMRRNG-CVEARBPZSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CCC[NH2+]1 ZINC001119309193 937708043 /nfs/dbraw/zinc/70/80/43/937708043.db2.gz HPQFURBARNQCTH-OAHLLOKOSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[N@H+](C)C(C)(C)C2)CCC[NH2+]1 ZINC001119309193 937708045 /nfs/dbraw/zinc/70/80/45/937708045.db2.gz HPQFURBARNQCTH-OAHLLOKOSA-N 2 1 265.401 1.237 10 30 CDEEMP CC#CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC001205137332 939826829 /nfs/dbraw/zinc/82/68/29/939826829.db2.gz VYOXQHXGWIDEIH-OAHLLOKOSA-N 2 1 250.386 1.633 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001277046307 941863373 /nfs/dbraw/zinc/86/33/73/941863373.db2.gz NAUUDNMQQITDBF-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001277258994 942251942 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C=CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001284241699 943128775 /nfs/dbraw/zinc/12/87/75/943128775.db2.gz BNSSXBYEOTULQX-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001264127606 944083891 /nfs/dbraw/zinc/08/38/91/944083891.db2.gz IYPYGHGHQUCVAB-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704839 944476661 /nfs/dbraw/zinc/47/66/61/944476661.db2.gz AQSPZYUZFWZTPR-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001265979658 944611159 /nfs/dbraw/zinc/61/11/59/944611159.db2.gz QELASHDNZFRJII-SOUVJXGZSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266143765 944711575 /nfs/dbraw/zinc/71/15/75/944711575.db2.gz IOHCQGGGFNNVHT-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479724167 971384503 /nfs/dbraw/zinc/38/45/03/971384503.db2.gz AXNGUJCOXSCAEE-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001479816230 971433749 /nfs/dbraw/zinc/43/37/49/971433749.db2.gz RSMYEAFWRQTFBO-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001479852463 971453645 /nfs/dbraw/zinc/45/36/45/971453645.db2.gz JCEGHJHYYDQMSA-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001279036243 948627611 /nfs/dbraw/zinc/62/76/11/948627611.db2.gz ZDGCHMCUHDUAPY-CYBMUJFWSA-N 2 1 267.417 1.080 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001279039735 948633338 /nfs/dbraw/zinc/63/33/38/948633338.db2.gz YQKIJHKEUFQJPK-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480085341 971569030 /nfs/dbraw/zinc/56/90/30/971569030.db2.gz NUTKNFIJNBBOEN-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480085341 971569037 /nfs/dbraw/zinc/56/90/37/971569037.db2.gz NUTKNFIJNBBOEN-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480085341 971569045 /nfs/dbraw/zinc/56/90/45/971569045.db2.gz NUTKNFIJNBBOEN-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001480331615 971674103 /nfs/dbraw/zinc/67/41/03/971674103.db2.gz HRNTWDOGHZUMNL-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001278636796 950775295 /nfs/dbraw/zinc/77/52/95/950775295.db2.gz JDFJFAHULSRRTQ-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001569098857 1169644704 /nfs/dbraw/zinc/64/47/04/1169644704.db2.gz HTFVOFPZXPNWFV-HOCLYGCPSA-N 2 1 287.407 1.407 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480462024 971741023 /nfs/dbraw/zinc/74/10/23/971741023.db2.gz FEYZCSUVRRXILB-BFHYXJOUSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689599 951721967 /nfs/dbraw/zinc/72/19/67/951721967.db2.gz FIIMMISBSKETKK-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001480591788 971797547 /nfs/dbraw/zinc/79/75/47/971797547.db2.gz OUYYOVRQAZNOOY-OLZOCXBDSA-N 2 1 278.400 1.641 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001569125421 1169674628 /nfs/dbraw/zinc/67/46/28/1169674628.db2.gz UYTDVEVOWOYZTF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001569125421 1169674631 /nfs/dbraw/zinc/67/46/31/1169674631.db2.gz UYTDVEVOWOYZTF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001569125421 1169674635 /nfs/dbraw/zinc/67/46/35/1169674635.db2.gz UYTDVEVOWOYZTF-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001569145172 1169688434 /nfs/dbraw/zinc/68/84/34/1169688434.db2.gz CTUPOFKAZHAQES-CQSZACIVSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001327162208 954742268 /nfs/dbraw/zinc/74/22/68/954742268.db2.gz HZTBFIAJIJHTPA-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001492163108 955659580 /nfs/dbraw/zinc/65/95/80/955659580.db2.gz DNRGJGPMXATWAX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001492163108 955659591 /nfs/dbraw/zinc/65/95/91/955659591.db2.gz DNRGJGPMXATWAX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001421947654 955670172 /nfs/dbraw/zinc/67/01/72/955670172.db2.gz VKDBCNGUGHOXCV-YPMHNXCESA-N 2 1 287.835 1.517 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001492437798 955885594 /nfs/dbraw/zinc/88/55/94/955885594.db2.gz LBTQQPGEHUXENC-UHFFFAOYSA-N 2 1 276.384 1.078 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001492437798 955885610 /nfs/dbraw/zinc/88/56/10/955885610.db2.gz LBTQQPGEHUXENC-UHFFFAOYSA-N 2 1 276.384 1.078 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329860574 956143302 /nfs/dbraw/zinc/14/33/02/956143302.db2.gz GDDUDZOHUCDSHI-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001329877899 956158493 /nfs/dbraw/zinc/15/84/93/956158493.db2.gz XXLTXZWVDUONFJ-CABCVRRESA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001329877899 956158500 /nfs/dbraw/zinc/15/85/00/956158500.db2.gz XXLTXZWVDUONFJ-CABCVRRESA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001330683248 956560577 /nfs/dbraw/zinc/56/05/77/956560577.db2.gz SYQAOORLGUHAGH-HDJSIYSDSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001480732816 956709217 /nfs/dbraw/zinc/70/92/17/956709217.db2.gz VWXAJOWZIIWBJC-CVEARBPZSA-N 2 1 293.455 1.519 10 30 CDEEMP C=CCCC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001331039392 956782139 /nfs/dbraw/zinc/78/21/39/956782139.db2.gz QPNKAFROXQVMQY-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001331198938 956884224 /nfs/dbraw/zinc/88/42/24/956884224.db2.gz AKDWJULSZCTEIQ-BZUAXINKSA-N 2 1 293.455 1.470 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001331302661 956956107 /nfs/dbraw/zinc/95/61/07/956956107.db2.gz KZQBSUGZGIQEGD-HNNXBMFYSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316955061 957148470 /nfs/dbraw/zinc/14/84/70/957148470.db2.gz XWWLHNWRFQNVQS-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001316955061 957148474 /nfs/dbraw/zinc/14/84/74/957148474.db2.gz XWWLHNWRFQNVQS-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317486101 957506704 /nfs/dbraw/zinc/50/67/04/957506704.db2.gz JYQCWFIAWFSGED-CQSZACIVSA-N 2 1 267.417 1.034 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001425683322 957599297 /nfs/dbraw/zinc/59/92/97/957599297.db2.gz NJHRKBHBMCQFHV-NWDGAFQWSA-N 2 1 273.808 1.127 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001317654424 957625692 /nfs/dbraw/zinc/62/56/92/957625692.db2.gz OHAJYXICANMSMD-HNNXBMFYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480763224 957689108 /nfs/dbraw/zinc/68/91/08/957689108.db2.gz ATZZWLULXSHLIL-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001494999112 972369276 /nfs/dbraw/zinc/36/92/76/972369276.db2.gz GQRBGTNRVGDRPI-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001321897661 960009674 /nfs/dbraw/zinc/00/96/74/960009674.db2.gz OORDQQUXHANDIP-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+](C)C(C)C ZINC001448882285 967293160 /nfs/dbraw/zinc/29/31/60/967293160.db2.gz JNKYNMZOJAJGCR-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@H+](C)C(C)C ZINC001448882285 967293169 /nfs/dbraw/zinc/29/31/69/967293169.db2.gz JNKYNMZOJAJGCR-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+](C)C(C)C ZINC001448882285 967293175 /nfs/dbraw/zinc/29/31/75/967293175.db2.gz JNKYNMZOJAJGCR-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001521752268 970349092 /nfs/dbraw/zinc/34/90/92/970349092.db2.gz KPBVTUPUMBMJRE-HNNXBMFYSA-N 2 1 289.423 1.076 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC12CCC[NH+](CCC1)C2 ZINC001521752268 970349107 /nfs/dbraw/zinc/34/91/07/970349107.db2.gz KPBVTUPUMBMJRE-HNNXBMFYSA-N 2 1 289.423 1.076 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001495815763 972648458 /nfs/dbraw/zinc/64/84/58/972648458.db2.gz RYANSVALVUINIB-ZBFHGGJFSA-N 2 1 289.423 1.817 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001499000709 974155779 /nfs/dbraw/zinc/15/57/79/974155779.db2.gz UKQKSAXVKASOEN-KBPBESRZSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001499000709 974155786 /nfs/dbraw/zinc/15/57/86/974155786.db2.gz UKQKSAXVKASOEN-KBPBESRZSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001500281256 974414476 /nfs/dbraw/zinc/41/44/76/974414476.db2.gz SVQVYNOMFLNSSH-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500281256 974414479 /nfs/dbraw/zinc/41/44/79/974414479.db2.gz SVQVYNOMFLNSSH-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001500281256 974414482 /nfs/dbraw/zinc/41/44/82/974414482.db2.gz SVQVYNOMFLNSSH-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC)CC1 ZINC001500428344 974436512 /nfs/dbraw/zinc/43/65/12/974436512.db2.gz BBBVFUCSOQVWAY-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC)CC1 ZINC001500428344 974436516 /nfs/dbraw/zinc/43/65/16/974436516.db2.gz BBBVFUCSOQVWAY-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001501403907 974579391 /nfs/dbraw/zinc/57/93/91/974579391.db2.gz MVGODSUKRUHKGX-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501403907 974579393 /nfs/dbraw/zinc/57/93/93/974579393.db2.gz MVGODSUKRUHKGX-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501403907 974579400 /nfs/dbraw/zinc/57/94/00/974579400.db2.gz MVGODSUKRUHKGX-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001503015773 974809669 /nfs/dbraw/zinc/80/96/69/974809669.db2.gz WQVJKYLCCYTMLV-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001503015773 974809674 /nfs/dbraw/zinc/80/96/74/974809674.db2.gz WQVJKYLCCYTMLV-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001503015773 974809677 /nfs/dbraw/zinc/80/96/77/974809677.db2.gz WQVJKYLCCYTMLV-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001505400311 974860071 /nfs/dbraw/zinc/86/00/71/974860071.db2.gz KPKAQWRCDSHINS-INIZCTEOSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001505400311 974860074 /nfs/dbraw/zinc/86/00/74/974860074.db2.gz KPKAQWRCDSHINS-INIZCTEOSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001505400311 974860076 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CDEEMP C=CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001508228770 975645532 /nfs/dbraw/zinc/64/55/32/975645532.db2.gz XWQLZFDWLIKFME-UHFFFAOYSA-N 2 1 265.401 1.263 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001508228770 975645539 /nfs/dbraw/zinc/64/55/39/975645539.db2.gz XWQLZFDWLIKFME-UHFFFAOYSA-N 2 1 265.401 1.263 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001390718718 976453414 /nfs/dbraw/zinc/45/34/14/976453414.db2.gz YWSQBBSUMXITAA-QWHCGFSZSA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001393052200 977687758 /nfs/dbraw/zinc/68/77/58/977687758.db2.gz REEZXLRBGQESAT-KBPBESRZSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001393905374 977953938 /nfs/dbraw/zinc/95/39/38/977953938.db2.gz LLPRUKSNSVETDJ-CPCZMJQVSA-N 2 1 285.819 1.175 10 30 CDEEMP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001570736373 1170261215 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1 291.439 1.177 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001656102666 1171764429 /nfs/dbraw/zinc/76/44/29/1171764429.db2.gz OLAJOQFOWYYNDH-HNNXBMFYSA-N 2 1 291.439 1.581 10 30 CDEEMP C=CC[C@@H]1CC[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000651704331 398158623 /nfs/dbraw/zinc/15/86/23/398158623.db2.gz FPBGTNLWWQFOIC-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C[NH+]=C(NC[C@H]1C[N@@H+](CC(C)C)CCO1)N1CCCC1 ZINC000071799777 356963796 /nfs/dbraw/zinc/96/37/96/356963796.db2.gz VBSKXMCCCLQBCH-AWEZNQCLSA-N 2 1 282.432 1.014 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001661792988 1172448590 /nfs/dbraw/zinc/44/85/90/1172448590.db2.gz JYOYVNXPBUMCOD-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C1CCC(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001662137908 1172485906 /nfs/dbraw/zinc/48/59/06/1172485906.db2.gz BOJOMMMUWNNNBG-UHFFFAOYSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001662872740 1172606343 /nfs/dbraw/zinc/60/63/43/1172606343.db2.gz RXPJYBHVMUOREP-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001662872740 1172606346 /nfs/dbraw/zinc/60/63/46/1172606346.db2.gz RXPJYBHVMUOREP-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001662872740 1172606347 /nfs/dbraw/zinc/60/63/47/1172606347.db2.gz RXPJYBHVMUOREP-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338981988 391237805 /nfs/dbraw/zinc/23/78/05/391237805.db2.gz QVLKQBBRURWSPL-YESZJQIVSA-N 2 1 290.455 1.781 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000338981988 391237807 /nfs/dbraw/zinc/23/78/07/391237807.db2.gz QVLKQBBRURWSPL-YESZJQIVSA-N 2 1 290.455 1.781 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001663547233 1172720044 /nfs/dbraw/zinc/72/00/44/1172720044.db2.gz BTQZDAKYQRNTBW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001663547233 1172720051 /nfs/dbraw/zinc/72/00/51/1172720051.db2.gz BTQZDAKYQRNTBW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001663547233 1172720056 /nfs/dbraw/zinc/72/00/56/1172720056.db2.gz BTQZDAKYQRNTBW-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001664394948 1172849131 /nfs/dbraw/zinc/84/91/31/1172849131.db2.gz JVUXCZVXJGSYQD-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001664754815 1172905447 /nfs/dbraw/zinc/90/54/47/1172905447.db2.gz IRWSRTXCYOKOJF-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664754815 1172905453 /nfs/dbraw/zinc/90/54/53/1172905453.db2.gz IRWSRTXCYOKOJF-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664754815 1172905460 /nfs/dbraw/zinc/90/54/60/1172905460.db2.gz IRWSRTXCYOKOJF-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001665732237 1173047869 /nfs/dbraw/zinc/04/78/69/1173047869.db2.gz QZIMFIIDNZYXTP-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001665732237 1173047863 /nfs/dbraw/zinc/04/78/63/1173047863.db2.gz QZIMFIIDNZYXTP-OAHLLOKOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1CCN(CC)CC1 ZINC000662081754 414503701 /nfs/dbraw/zinc/50/37/01/414503701.db2.gz RVWZWELCFRWXHW-HRCADAONSA-N 2 1 291.439 1.722 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@@H](C)C(=O)N1CC[NH+](CC)CC1 ZINC000662081754 414503710 /nfs/dbraw/zinc/50/37/10/414503710.db2.gz RVWZWELCFRWXHW-HRCADAONSA-N 2 1 291.439 1.722 10 30 CDEEMP CCC[N@H+](CC(=O)N(C)C)Cc1sccc1C#CC[NH3+] ZINC000043684096 175092099 /nfs/dbraw/zinc/09/20/99/175092099.db2.gz UVKUNXMEEAYHHH-UHFFFAOYSA-N 2 1 293.436 1.359 10 30 CDEEMP CCC[N@@H+](CC(=O)N(C)C)Cc1sccc1C#CC[NH3+] ZINC000043684096 175092100 /nfs/dbraw/zinc/09/21/00/175092100.db2.gz UVKUNXMEEAYHHH-UHFFFAOYSA-N 2 1 293.436 1.359 10 30 CDEEMP CCNC(=O)C[N@H+](CC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689047 175095342 /nfs/dbraw/zinc/09/53/42/175095342.db2.gz HUXBOHNKHCPHOW-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP CCNC(=O)C[N@@H+](CC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689047 175095344 /nfs/dbraw/zinc/09/53/44/175095344.db2.gz HUXBOHNKHCPHOW-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP CC(C)(C)[NH+]1CCN(CCCC[C@](C)([NH3+])C#N)CC1 ZINC000045318469 175358742 /nfs/dbraw/zinc/35/87/42/175358742.db2.gz VKDBPBRNRAGOEF-HNNXBMFYSA-N 2 1 266.433 1.814 10 30 CDEEMP CC(C)(C)[NH+]1CCN(CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000045318473 175358977 /nfs/dbraw/zinc/35/89/77/175358977.db2.gz VKDBPBRNRAGOEF-OAHLLOKOSA-N 2 1 266.433 1.814 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001666172091 1173114763 /nfs/dbraw/zinc/11/47/63/1173114763.db2.gz BESLHNBZUVDXFC-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)(C#N)CC2)CC1 ZINC000408158418 260317323 /nfs/dbraw/zinc/31/73/23/260317323.db2.gz KMOBKMZUOOOAAU-UHFFFAOYSA-N 2 1 292.427 1.213 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001667584454 1173293582 /nfs/dbraw/zinc/29/35/82/1173293582.db2.gz ANSACHJHHGINTR-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001667584454 1173293586 /nfs/dbraw/zinc/29/35/86/1173293586.db2.gz ANSACHJHHGINTR-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669140227 1173508252 /nfs/dbraw/zinc/50/82/52/1173508252.db2.gz XAFGUZQBSOQUFY-XVWMLYKFSA-N 2 1 279.428 1.556 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564862 1173690294 /nfs/dbraw/zinc/69/02/94/1173690294.db2.gz ZDGQLBZEUIKBLC-GDBMZVCRSA-N 2 1 291.439 1.226 10 30 CDEEMP 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C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1CCC)C1CC1 ZINC001707481747 1178075779 /nfs/dbraw/zinc/07/57/79/1178075779.db2.gz WBSLLCDTDDWIHE-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713135521 1178390695 /nfs/dbraw/zinc/39/06/95/1178390695.db2.gz LPFHWPFYOMQUAJ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001713135521 1178390703 /nfs/dbraw/zinc/39/07/03/1178390703.db2.gz LPFHWPFYOMQUAJ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713135521 1178390711 /nfs/dbraw/zinc/39/07/11/1178390711.db2.gz LPFHWPFYOMQUAJ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001713335358 1178505704 /nfs/dbraw/zinc/50/57/04/1178505704.db2.gz KQJNLJZGCGUYER-WCQYABFASA-N 2 1 276.384 1.034 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001713416932 1178548331 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C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC)C1 ZINC001713951222 1178883414 /nfs/dbraw/zinc/88/34/14/1178883414.db2.gz RMYPEQOGTSXBRF-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC)C1 ZINC001713951222 1178883426 /nfs/dbraw/zinc/88/34/26/1178883426.db2.gz RMYPEQOGTSXBRF-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714088190 1178967662 /nfs/dbraw/zinc/96/76/62/1178967662.db2.gz GPWVCBJNMCWHSJ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001714277578 1179061627 /nfs/dbraw/zinc/06/16/27/1179061627.db2.gz BZVGAHFRCXIPRA-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714296134 1179071411 /nfs/dbraw/zinc/07/14/11/1179071411.db2.gz GPQLGJMSEQFWJL-KKUMJFAQSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001714493096 1179168367 /nfs/dbraw/zinc/16/83/67/1179168367.db2.gz HEOOPIMPTKIIEK-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001714652814 1179298508 /nfs/dbraw/zinc/29/85/08/1179298508.db2.gz CUKUPEVTNHJOPV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001714652814 1179298515 /nfs/dbraw/zinc/29/85/15/1179298515.db2.gz CUKUPEVTNHJOPV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001714652814 1179298523 /nfs/dbraw/zinc/29/85/23/1179298523.db2.gz CUKUPEVTNHJOPV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001714890345 1179438611 /nfs/dbraw/zinc/43/86/11/1179438611.db2.gz HRTRYIVQPAKTLR-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714890345 1179438614 /nfs/dbraw/zinc/43/86/14/1179438614.db2.gz HRTRYIVQPAKTLR-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714890345 1179438618 /nfs/dbraw/zinc/43/86/18/1179438618.db2.gz HRTRYIVQPAKTLR-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001714904526 1179445804 /nfs/dbraw/zinc/44/58/04/1179445804.db2.gz SVALWAIQPFBPPT-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001714904526 1179445806 /nfs/dbraw/zinc/44/58/06/1179445806.db2.gz SVALWAIQPFBPPT-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001714904526 1179445808 /nfs/dbraw/zinc/44/58/08/1179445808.db2.gz SVALWAIQPFBPPT-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCC1 ZINC001715096895 1179550995 /nfs/dbraw/zinc/55/09/95/1179550995.db2.gz HNMTYNFAAVOGBM-UHFFFAOYSA-N 2 1 276.384 1.396 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001715258222 1179599274 /nfs/dbraw/zinc/59/92/74/1179599274.db2.gz ZZOCBZXSMGUSJB-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001715357548 1179640393 /nfs/dbraw/zinc/64/03/93/1179640393.db2.gz QBKIIHGURVQKRP-ZNMIVQPWSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715531366 1179703383 /nfs/dbraw/zinc/70/33/83/1179703383.db2.gz BRRFHLJHZDKDFN-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001715533234 1179705725 /nfs/dbraw/zinc/70/57/25/1179705725.db2.gz GUDPZGQRTMDYDO-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001715711995 1179771867 /nfs/dbraw/zinc/77/18/67/1179771867.db2.gz GSTQZQUJRSIOKE-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001716532134 1180271582 /nfs/dbraw/zinc/27/15/82/1180271582.db2.gz BOICPGJXBLZUNG-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001716678180 1180363249 /nfs/dbraw/zinc/36/32/49/1180363249.db2.gz YIUBQIDHCNOGRN-KBPBESRZSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001716678181 1180363596 /nfs/dbraw/zinc/36/35/96/1180363596.db2.gz YIUBQIDHCNOGRN-KGLIPLIRSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717215148 1180579408 /nfs/dbraw/zinc/57/94/08/1180579408.db2.gz ZUYLBPUUKZVZQY-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717215148 1180579411 /nfs/dbraw/zinc/57/94/11/1180579411.db2.gz ZUYLBPUUKZVZQY-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717215148 1180579416 /nfs/dbraw/zinc/57/94/16/1180579416.db2.gz ZUYLBPUUKZVZQY-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001717336057 1180620783 /nfs/dbraw/zinc/62/07/83/1180620783.db2.gz NCRUZCZXQUPFPT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001717336057 1180620788 /nfs/dbraw/zinc/62/07/88/1180620788.db2.gz NCRUZCZXQUPFPT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001717336057 1180620792 /nfs/dbraw/zinc/62/07/92/1180620792.db2.gz NCRUZCZXQUPFPT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001717374477 1180634940 /nfs/dbraw/zinc/63/49/40/1180634940.db2.gz OSGUCTCKPFJRFK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001717374477 1180634942 /nfs/dbraw/zinc/63/49/42/1180634942.db2.gz OSGUCTCKPFJRFK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)Cc1cnc[nH]1 ZINC001717373038 1180636099 /nfs/dbraw/zinc/63/60/99/1180636099.db2.gz GPGSNVACPZKAER-HNNXBMFYSA-N 2 1 290.411 1.841 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717376715 1180637942 /nfs/dbraw/zinc/63/79/42/1180637942.db2.gz WTMJGQVWENGMSU-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001717376715 1180637949 /nfs/dbraw/zinc/63/79/49/1180637949.db2.gz WTMJGQVWENGMSU-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001717376715 1180637951 /nfs/dbraw/zinc/63/79/51/1180637951.db2.gz WTMJGQVWENGMSU-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001717804532 1180865722 /nfs/dbraw/zinc/86/57/22/1180865722.db2.gz FXJOHSUTENWIQI-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001717861600 1180898260 /nfs/dbraw/zinc/89/82/60/1180898260.db2.gz YSLBOQXVCIKQLV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001717861600 1180898270 /nfs/dbraw/zinc/89/82/70/1180898270.db2.gz YSLBOQXVCIKQLV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001717861600 1180898281 /nfs/dbraw/zinc/89/82/81/1180898281.db2.gz YSLBOQXVCIKQLV-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH+]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001725286268 1181952558 /nfs/dbraw/zinc/95/25/58/1181952558.db2.gz FPBAVMHDFRSQMT-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725286268 1181952563 /nfs/dbraw/zinc/95/25/63/1181952563.db2.gz FPBAVMHDFRSQMT-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725286268 1181952568 /nfs/dbraw/zinc/95/25/68/1181952568.db2.gz FPBAVMHDFRSQMT-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725406967 1181991187 /nfs/dbraw/zinc/99/11/87/1181991187.db2.gz FRBBWTHBZFMAGI-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725470001 1182011643 /nfs/dbraw/zinc/01/16/43/1182011643.db2.gz KKGRCGWGYKMOHP-ZBFHGGJFSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001731686117 1182518070 /nfs/dbraw/zinc/51/80/70/1182518070.db2.gz PPEGKDRZNHHXJN-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+](C)C1CCC1 ZINC001731772754 1182567252 /nfs/dbraw/zinc/56/72/52/1182567252.db2.gz MPMNXKUUABKVTL-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001731772754 1182567257 /nfs/dbraw/zinc/56/72/57/1182567257.db2.gz MPMNXKUUABKVTL-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001731772754 1182567261 /nfs/dbraw/zinc/56/72/61/1182567261.db2.gz MPMNXKUUABKVTL-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001732003267 1182720339 /nfs/dbraw/zinc/72/03/39/1182720339.db2.gz ZVVWQOMJTJOJPY-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001732164511 1182824164 /nfs/dbraw/zinc/82/41/64/1182824164.db2.gz CMOFDUIKKMPDOZ-HUUCEWRRSA-N 2 1 297.418 1.222 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001732164511 1182824173 /nfs/dbraw/zinc/82/41/73/1182824173.db2.gz CMOFDUIKKMPDOZ-HUUCEWRRSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732507648 1182992299 /nfs/dbraw/zinc/99/22/99/1182992299.db2.gz JBVQTLIDEOYXJR-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001732694481 1183089390 /nfs/dbraw/zinc/08/93/90/1183089390.db2.gz JTDSYZSXEKVBJM-SOUVJXGZSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001732708239 1183094809 /nfs/dbraw/zinc/09/48/09/1183094809.db2.gz ZUUSJAUDAMEMIQ-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732971393 1183213023 /nfs/dbraw/zinc/21/30/23/1183213023.db2.gz AXJJZGKVMSJUHO-CZUORRHYSA-N 2 1 299.434 1.869 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733347947 1183405909 /nfs/dbraw/zinc/40/59/09/1183405909.db2.gz FEVLPMFPZZOGNQ-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001733877576 1183557160 /nfs/dbraw/zinc/55/71/60/1183557160.db2.gz ZQVJAYDFBLLCTK-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001734286518 1183713368 /nfs/dbraw/zinc/71/33/68/1183713368.db2.gz QECUWQIAIFVSIZ-ARFHVFGLSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001734494901 1183801087 /nfs/dbraw/zinc/80/10/87/1183801087.db2.gz DIMBIFQDBVKZKU-KFWWJZLASA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001734596606 1183840031 /nfs/dbraw/zinc/84/00/31/1183840031.db2.gz YYPMHYKIRWFNOE-NRXISQOPSA-N 2 1 295.402 1.023 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCF)C1 ZINC001734596606 1183840035 /nfs/dbraw/zinc/84/00/35/1183840035.db2.gz YYPMHYKIRWFNOE-NRXISQOPSA-N 2 1 295.402 1.023 10 30 CDEEMP C#CCC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001734633763 1183855199 /nfs/dbraw/zinc/85/51/99/1183855199.db2.gz STYXBRVNBBEBCZ-OAHLLOKOSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001734633763 1183855201 /nfs/dbraw/zinc/85/52/01/1183855201.db2.gz STYXBRVNBBEBCZ-OAHLLOKOSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001734633763 1183855203 /nfs/dbraw/zinc/85/52/03/1183855203.db2.gz STYXBRVNBBEBCZ-OAHLLOKOSA-N 2 1 289.423 1.100 10 30 CDEEMP C=CC[C@H](C)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000878326445 751371478 /nfs/dbraw/zinc/37/14/78/751371478.db2.gz ZJMRYIQNSIWVST-HRCADAONSA-N 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CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001566587826 1167992991 /nfs/dbraw/zinc/99/29/91/1167992991.db2.gz UQVNTNYCNQEHDU-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001566587826 1167992995 /nfs/dbraw/zinc/99/29/95/1167992995.db2.gz UQVNTNYCNQEHDU-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001566587826 1167992997 /nfs/dbraw/zinc/99/29/97/1167992997.db2.gz UQVNTNYCNQEHDU-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001566123276 1168239031 /nfs/dbraw/zinc/23/90/31/1168239031.db2.gz HZQDUIHDLHYNSZ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001566123276 1168239039 /nfs/dbraw/zinc/23/90/39/1168239039.db2.gz HZQDUIHDLHYNSZ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)n1cnc(C)c1 ZINC001483660130 912404032 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C=CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001266282761 894101968 /nfs/dbraw/zinc/10/19/68/894101968.db2.gz QNJBXKJNYZALRP-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001266379802 894635694 /nfs/dbraw/zinc/63/56/94/894635694.db2.gz BHJYVIAWPLJNJN-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001266432160 894847944 /nfs/dbraw/zinc/84/79/44/894847944.db2.gz UNMZNJXBYDJZTK-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001266432160 894847967 /nfs/dbraw/zinc/84/79/67/894847967.db2.gz UNMZNJXBYDJZTK-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001266432160 894847978 /nfs/dbraw/zinc/84/79/78/894847978.db2.gz UNMZNJXBYDJZTK-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001266530932 895244118 /nfs/dbraw/zinc/24/41/18/895244118.db2.gz OJCIDQGQJTYDTJ-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266857251 896209118 /nfs/dbraw/zinc/20/91/18/896209118.db2.gz KUWADFXNSBRLGK-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888117 896282607 /nfs/dbraw/zinc/28/26/07/896282607.db2.gz BOHRQTPFXBSMQP-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267252564 897341725 /nfs/dbraw/zinc/34/17/25/897341725.db2.gz TYJQLJZLBMCSTD-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267252564 897341738 /nfs/dbraw/zinc/34/17/38/897341738.db2.gz TYJQLJZLBMCSTD-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267252564 897341754 /nfs/dbraw/zinc/34/17/54/897341754.db2.gz TYJQLJZLBMCSTD-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267306688 897549684 /nfs/dbraw/zinc/54/96/84/897549684.db2.gz KITQHNMBLQTHRV-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267308049 897552620 /nfs/dbraw/zinc/55/26/20/897552620.db2.gz YTRZWRWOYQDHLL-JKSUJKDBSA-N 2 1 295.471 1.977 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1CC)C1CC1 ZINC001267337712 897634056 /nfs/dbraw/zinc/63/40/56/897634056.db2.gz FYPFCRLBXMQVEX-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001267337712 897634060 /nfs/dbraw/zinc/63/40/60/897634060.db2.gz FYPFCRLBXMQVEX-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001267337712 897634063 /nfs/dbraw/zinc/63/40/63/897634063.db2.gz FYPFCRLBXMQVEX-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1CC)C1CC1 ZINC001267337712 897634066 /nfs/dbraw/zinc/63/40/66/897634066.db2.gz FYPFCRLBXMQVEX-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001267488922 898142578 /nfs/dbraw/zinc/14/25/78/898142578.db2.gz RZJXESJBQQDODU-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)CCC)C1 ZINC001267488922 898142584 /nfs/dbraw/zinc/14/25/84/898142584.db2.gz RZJXESJBQQDODU-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)CCC)C1 ZINC001267488922 898142589 /nfs/dbraw/zinc/14/25/89/898142589.db2.gz RZJXESJBQQDODU-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267588297 898584946 /nfs/dbraw/zinc/58/49/46/898584946.db2.gz CHTLTPLSNZKPSW-CABCVRRESA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001267602542 898721193 /nfs/dbraw/zinc/72/11/93/898721193.db2.gz CUFQUZDGZAWVNL-HNNXBMFYSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 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1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269348740 903722591 /nfs/dbraw/zinc/72/25/91/903722591.db2.gz NDTLKBFQZGTPGW-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356340 903728252 /nfs/dbraw/zinc/72/82/52/903728252.db2.gz QBDPHKUSFFBRCQ-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001269356340 903728243 /nfs/dbraw/zinc/72/82/43/903728243.db2.gz QBDPHKUSFFBRCQ-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001269522930 903890727 /nfs/dbraw/zinc/89/07/27/903890727.db2.gz WDLKNTNIEIUCPJ-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001270940714 905473403 /nfs/dbraw/zinc/47/34/03/905473403.db2.gz OALABTUEJDNNGN-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001270940714 905473416 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CDEEMP C=CCC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001568223960 1169189885 /nfs/dbraw/zinc/18/98/85/1169189885.db2.gz UWEJRAJZOZKTBU-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001485874269 920540399 /nfs/dbraw/zinc/54/03/99/920540399.db2.gz VRLVYZQRVREZBY-CABCVRRESA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCC)C1 ZINC001491026904 936844981 /nfs/dbraw/zinc/84/49/81/936844981.db2.gz RVRSUBRMQYHMQN-XHSDSOJGSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCCC)C1 ZINC001491026904 936844984 /nfs/dbraw/zinc/84/49/84/936844984.db2.gz RVRSUBRMQYHMQN-XHSDSOJGSA-N 2 1 291.439 1.511 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001491060286 936847170 /nfs/dbraw/zinc/84/71/70/936847170.db2.gz NSVMWZKJAACOPP-OKILXGFUSA-N 2 1 288.395 1.267 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001490560004 927229885 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C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001568551619 1169364030 /nfs/dbraw/zinc/36/40/30/1169364030.db2.gz MDUZBHWELOKIHX-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1CCC ZINC001568551619 1169364041 /nfs/dbraw/zinc/36/40/41/1169364041.db2.gz MDUZBHWELOKIHX-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C[C@@H]([NH2+]C[C@H](O)CC#N)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119732566 937752263 /nfs/dbraw/zinc/75/22/63/937752263.db2.gz MTSFHWPWQRVBAT-VNHYZAJKSA-N 2 1 265.401 1.504 10 30 CDEEMP C[C@@H]([NH2+]C[C@H](O)CC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC001119732566 937752264 /nfs/dbraw/zinc/75/22/64/937752264.db2.gz MTSFHWPWQRVBAT-VNHYZAJKSA-N 2 1 265.401 1.504 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001277447280 942588101 /nfs/dbraw/zinc/58/81/01/942588101.db2.gz FEPRVECLRRAKEJ-UHFFFAOYSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001284180943 943098932 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CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001265032040 944206647 /nfs/dbraw/zinc/20/66/47/944206647.db2.gz GZHBQCNEEVOQBN-CYBMUJFWSA-N 2 1 255.406 1.197 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001265094754 944228286 /nfs/dbraw/zinc/22/82/86/944228286.db2.gz JHORLMSPYKULFY-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001265871953 944552106 /nfs/dbraw/zinc/55/21/06/944552106.db2.gz JVCPDHYODAZYRS-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266192058 944742436 /nfs/dbraw/zinc/74/24/36/944742436.db2.gz PVKRBPLCVRBXEP-ZBFHGGJFSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CCOCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001278437984 948050019 /nfs/dbraw/zinc/05/00/19/948050019.db2.gz MHFKTXNEZIUSAQ-GDBMZVCRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001279011884 948584920 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C=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325434306 953901195 /nfs/dbraw/zinc/90/11/95/953901195.db2.gz AGMGUNAZLNLIHF-GJZGRUSLSA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001493255071 971995398 /nfs/dbraw/zinc/99/53/98/971995398.db2.gz NWKZLVHKTZPTCG-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493255071 971995401 /nfs/dbraw/zinc/99/54/01/971995401.db2.gz NWKZLVHKTZPTCG-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001493255071 971995405 /nfs/dbraw/zinc/99/54/05/971995405.db2.gz NWKZLVHKTZPTCG-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001326420069 954372672 /nfs/dbraw/zinc/37/26/72/954372672.db2.gz YAMAHOUGILOKTC-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001327258426 954797118 /nfs/dbraw/zinc/79/71/18/954797118.db2.gz QFXDRMQIFIUHQO-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001493667650 972097722 /nfs/dbraw/zinc/09/77/22/972097722.db2.gz UOTMEHQHOJGQJU-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001328960912 955582699 /nfs/dbraw/zinc/58/26/99/955582699.db2.gz JTQAADHHPTVXSE-YMAMQOFZSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001494138596 972183473 /nfs/dbraw/zinc/18/34/73/972183473.db2.gz WSBJLKVYTCACFR-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001330611366 956515458 /nfs/dbraw/zinc/51/54/58/956515458.db2.gz YAIKFBHUGSXBSV-MQMHXKEQSA-N 2 1 276.384 1.403 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001316824298 956988820 /nfs/dbraw/zinc/98/88/20/956988820.db2.gz QIFYGYXLKOCAHU-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316951401 957149895 /nfs/dbraw/zinc/14/98/95/957149895.db2.gz BLJSIIINLWSPJL-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316951401 957149900 /nfs/dbraw/zinc/14/99/00/957149900.db2.gz BLJSIIINLWSPJL-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316951401 957149905 /nfs/dbraw/zinc/14/99/05/957149905.db2.gz BLJSIIINLWSPJL-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001317059834 957236980 /nfs/dbraw/zinc/23/69/80/957236980.db2.gz QMRYMTJFBNQKAT-KUTPXYQMSA-N 2 1 295.814 1.027 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]C/C=C\Cl)C1 ZINC001317059834 957236990 /nfs/dbraw/zinc/23/69/90/957236990.db2.gz QMRYMTJFBNQKAT-KUTPXYQMSA-N 2 1 295.814 1.027 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001317065244 957239868 /nfs/dbraw/zinc/23/98/68/957239868.db2.gz XEWHSJOHSXVDMX-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001317189277 957334193 /nfs/dbraw/zinc/33/41/93/957334193.db2.gz IQYHATGDUFLQOP-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001332205573 957476330 /nfs/dbraw/zinc/47/63/30/957476330.db2.gz KVCGXHYVWRAASI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001332205573 957476333 /nfs/dbraw/zinc/47/63/33/957476333.db2.gz KVCGXHYVWRAASI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001332205573 957476337 /nfs/dbraw/zinc/47/63/37/957476337.db2.gz KVCGXHYVWRAASI-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001317544013 957538953 /nfs/dbraw/zinc/53/89/53/957538953.db2.gz DLUNLDUFLUNNTF-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001317876025 957708566 /nfs/dbraw/zinc/70/85/66/957708566.db2.gz RDFZQTFPRJAYJD-UHFFFAOYSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001317988321 957845291 /nfs/dbraw/zinc/84/52/91/957845291.db2.gz VLOWURRAKRTHTN-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001317988321 957845302 /nfs/dbraw/zinc/84/53/02/957845302.db2.gz VLOWURRAKRTHTN-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001317988321 957845314 /nfs/dbraw/zinc/84/53/14/957845314.db2.gz VLOWURRAKRTHTN-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318176151 957957478 /nfs/dbraw/zinc/95/74/78/957957478.db2.gz KNQAPXJTQNVENZ-INIZCTEOSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001318582441 958184325 /nfs/dbraw/zinc/18/43/25/958184325.db2.gz QGBFBHILCALOFI-ZDUSSCGKSA-N 2 1 278.400 1.677 10 30 CDEEMP C=CCC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001318727787 958247648 /nfs/dbraw/zinc/24/76/48/958247648.db2.gz MZMYIAMLAZCRKM-BBRMVZONSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001494988414 972364760 /nfs/dbraw/zinc/36/47/60/972364760.db2.gz ZDWXPEOQGIBSRZ-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H](F)CC ZINC001321096067 959591227 /nfs/dbraw/zinc/59/12/27/959591227.db2.gz GAVQFDYFYHYJPL-MUHKLVGJSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]C[C@H](F)CC ZINC001321096067 959591239 /nfs/dbraw/zinc/59/12/39/959591239.db2.gz GAVQFDYFYHYJPL-MUHKLVGJSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[NH2+]C[C@@](C)(NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001495258960 972459514 /nfs/dbraw/zinc/45/95/14/972459514.db2.gz NPVMDKGXPWKUOX-DOTOQJQBSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001569342670 1169773801 /nfs/dbraw/zinc/77/38/01/1169773801.db2.gz JRHZHFGNLNXVPB-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001322192187 960127545 /nfs/dbraw/zinc/12/75/45/960127545.db2.gz FDOWGOKYUDUUMZ-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001322192187 960127551 /nfs/dbraw/zinc/12/75/51/960127551.db2.gz FDOWGOKYUDUUMZ-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001322192187 960127556 /nfs/dbraw/zinc/12/75/56/960127556.db2.gz FDOWGOKYUDUUMZ-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240225 963664368 /nfs/dbraw/zinc/66/43/68/963664368.db2.gz DBAIMKKOQSEYDH-CYBMUJFWSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001479240225 963664371 /nfs/dbraw/zinc/66/43/71/963664371.db2.gz DBAIMKKOQSEYDH-CYBMUJFWSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001448430895 967109549 /nfs/dbraw/zinc/10/95/49/967109549.db2.gz RIHHLAIRXHEHGV-ZSOGYDGISA-N 2 1 299.846 1.375 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448773488 967250064 /nfs/dbraw/zinc/25/00/64/967250064.db2.gz OUHFXBDDVQQDIL-STQMWFEESA-N 2 1 287.835 1.517 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)CCC[NH2+]1 ZINC001356412464 969392251 /nfs/dbraw/zinc/39/22/51/969392251.db2.gz JRAOIAPEUSDFFN-TTZDDIAXSA-N 2 1 277.412 1.141 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)CCCn1cc[nH+]c1C ZINC001496184773 972831703 /nfs/dbraw/zinc/83/17/03/972831703.db2.gz WTTVJKVACPHVFR-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001496734518 973074610 /nfs/dbraw/zinc/07/46/10/973074610.db2.gz GAKNIJNRXSRBCD-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001496734518 973074623 /nfs/dbraw/zinc/07/46/23/973074623.db2.gz GAKNIJNRXSRBCD-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001496734518 973074637 /nfs/dbraw/zinc/07/46/37/973074637.db2.gz GAKNIJNRXSRBCD-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(C)C ZINC001497206351 973244579 /nfs/dbraw/zinc/24/45/79/973244579.db2.gz AHBKTFYHOBDVDB-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(C)C ZINC001497206351 973244588 /nfs/dbraw/zinc/24/45/88/973244588.db2.gz AHBKTFYHOBDVDB-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001417982565 973512947 /nfs/dbraw/zinc/51/29/47/973512947.db2.gz JKDWXSHLZQYVPE-ZIAGYGMSSA-N 2 1 299.846 1.708 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001501720943 974631175 /nfs/dbraw/zinc/63/11/75/974631175.db2.gz UFGSNGFXYFDSOK-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CCC)CC1 ZINC001505790020 974989044 /nfs/dbraw/zinc/98/90/44/974989044.db2.gz LPYHKIFWBZLMCT-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001507026225 975298976 /nfs/dbraw/zinc/29/89/76/975298976.db2.gz ARUOXRUFRJMBMI-DZGCQCFKSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001507863153 975553382 /nfs/dbraw/zinc/55/33/82/975553382.db2.gz PCKNUROODSTDMO-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001507863153 975553376 /nfs/dbraw/zinc/55/33/76/975553376.db2.gz PCKNUROODSTDMO-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001507863153 975553387 /nfs/dbraw/zinc/55/33/87/975553387.db2.gz PCKNUROODSTDMO-OAHLLOKOSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001390718721 976452751 /nfs/dbraw/zinc/45/27/51/976452751.db2.gz YWSQBBSUMXITAA-STQMWFEESA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001403417824 976944150 /nfs/dbraw/zinc/94/41/50/976944150.db2.gz NXLWJSRNMCHDOU-JOCQHMNTSA-N 2 1 299.846 1.708 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001691752169 1174000989 /nfs/dbraw/zinc/00/09/89/1174000989.db2.gz BXRRIUVTZYWVJV-WCVJEAGWSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001675874104 1174160956 /nfs/dbraw/zinc/16/09/56/1174160956.db2.gz HWJKRXHSPXUETE-LSDHHAIUSA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001675874104 1174160961 /nfs/dbraw/zinc/16/09/61/1174160961.db2.gz HWJKRXHSPXUETE-LSDHHAIUSA-N 2 1 297.443 1.158 10 30 CDEEMP C=CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001570504611 1170172205 /nfs/dbraw/zinc/17/22/05/1170172205.db2.gz NADWJORBDXHVNT-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570747241 1170266561 /nfs/dbraw/zinc/26/65/61/1170266561.db2.gz DLVHMTDUAMOYQD-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001570747241 1170266566 /nfs/dbraw/zinc/26/65/66/1170266566.db2.gz DLVHMTDUAMOYQD-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001570747241 1170266572 /nfs/dbraw/zinc/26/65/72/1170266572.db2.gz DLVHMTDUAMOYQD-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001570772312 1170277617 /nfs/dbraw/zinc/27/76/17/1170277617.db2.gz HFEMMTSSUHNLPQ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001571296637 1170360619 /nfs/dbraw/zinc/36/06/19/1170360619.db2.gz DELXEJKUYGRKKF-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001571486361 1170450338 /nfs/dbraw/zinc/45/03/38/1170450338.db2.gz CWJQBNFILUAHDI-ZIAGYGMSSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001571519962 1170462468 /nfs/dbraw/zinc/46/24/68/1170462468.db2.gz YYBONPMOMKNQFN-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001571663664 1170513778 /nfs/dbraw/zinc/51/37/78/1170513778.db2.gz BJYRATXEBCNRHP-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656169996 1171781613 /nfs/dbraw/zinc/78/16/13/1171781613.db2.gz JACKIIMMLHNCFJ-OAGGEKHMSA-N 2 1 293.455 1.779 10 30 CDEEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441584 342907501 /nfs/dbraw/zinc/90/75/01/342907501.db2.gz SWBRDSATEQSUEW-GJZGRUSLSA-N 2 1 294.443 1.778 10 30 CDEEMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(CC#N)CC2)CC1(C)C ZINC000598961878 343929957 /nfs/dbraw/zinc/92/99/57/343929957.db2.gz ZUEGXPFOEBOTDL-CQSZACIVSA-N 2 1 264.417 1.437 10 30 CDEEMP C=CCOc1ccccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629663239 363318142 /nfs/dbraw/zinc/31/81/42/363318142.db2.gz LAJMEKPFNUBZQA-UHFFFAOYSA-N 2 1 264.369 1.659 10 30 CDEEMP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261939742 359097394 /nfs/dbraw/zinc/09/73/94/359097394.db2.gz MPWPLEPQQFRHED-BBWFWOEESA-N 2 1 293.455 1.384 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660988250 1172315808 /nfs/dbraw/zinc/31/58/08/1172315808.db2.gz KRGXWRNSIYWJGD-UONOGXRCSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660988250 1172315817 /nfs/dbraw/zinc/31/58/17/1172315817.db2.gz KRGXWRNSIYWJGD-UONOGXRCSA-N 2 1 290.411 1.773 10 30 CDEEMP CC(C)[N@H+]1CC[C@@H](CNCc2nc(C#N)cs2)C1 ZINC000386384370 366986913 /nfs/dbraw/zinc/98/69/13/366986913.db2.gz SFNAZWSJURSOHE-NSHDSACASA-N 2 1 264.398 1.835 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001662350852 1172533757 /nfs/dbraw/zinc/53/37/57/1172533757.db2.gz NYDGPPRGGSKXDX-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001663184707 1172651060 /nfs/dbraw/zinc/65/10/60/1172651060.db2.gz AQRGAALXQVNENI-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001663184707 1172651062 /nfs/dbraw/zinc/65/10/62/1172651062.db2.gz AQRGAALXQVNENI-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001663644996 1172736033 /nfs/dbraw/zinc/73/60/33/1172736033.db2.gz NSFBUFGMHXFGBI-MRXNPFEDSA-N 2 1 291.439 1.324 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001664557436 1172867357 /nfs/dbraw/zinc/86/73/57/1172867357.db2.gz CIUFIWRIWFOGEA-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)C(C)C ZINC001664557436 1172867360 /nfs/dbraw/zinc/86/73/60/1172867360.db2.gz CIUFIWRIWFOGEA-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664759692 1172903839 /nfs/dbraw/zinc/90/38/39/1172903839.db2.gz BCMMGFYJIHXOJI-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664759692 1172903849 /nfs/dbraw/zinc/90/38/49/1172903849.db2.gz BCMMGFYJIHXOJI-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001664818821 1172917248 /nfs/dbraw/zinc/91/72/48/1172917248.db2.gz WOKLDCHGLNJXPU-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001664818821 1172917253 /nfs/dbraw/zinc/91/72/53/1172917253.db2.gz WOKLDCHGLNJXPU-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001664818821 1172917257 /nfs/dbraw/zinc/91/72/57/1172917257.db2.gz WOKLDCHGLNJXPU-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001665642220 1173029410 /nfs/dbraw/zinc/02/94/10/1173029410.db2.gz OSCXMTFUZSZIKD-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001665642220 1173029417 /nfs/dbraw/zinc/02/94/17/1173029417.db2.gz OSCXMTFUZSZIKD-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662845552 413598111 /nfs/dbraw/zinc/59/81/11/413598111.db2.gz JKNFAPMMFPPJOU-RHSMWYFYSA-N 2 1 293.455 1.921 10 30 CDEEMP COCC[N@@H+](Cc1ccc(C#CC[NH3+])s1)[C@@H](C)COC ZINC000043684199 175092904 /nfs/dbraw/zinc/09/29/04/175092904.db2.gz OCGIPJJHQBYYPW-ZDUSSCGKSA-N 2 1 296.436 1.542 10 30 CDEEMP C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684121 175093043 /nfs/dbraw/zinc/09/30/43/175093043.db2.gz XYCDUAUTKOWBNX-AAEUAGOBSA-N 2 1 291.420 1.144 10 30 CDEEMP [NH3+]CC#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000044679153 175228443 /nfs/dbraw/zinc/22/84/43/175228443.db2.gz MIMXUUTUWXULJH-LLVKDONJSA-N 2 1 289.404 1.025 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001666673536 1173169596 /nfs/dbraw/zinc/16/95/96/1173169596.db2.gz QASMPZCTZPADAP-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001667111741 1173236625 /nfs/dbraw/zinc/23/66/25/1173236625.db2.gz GHDOYMNATTZKIQ-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001667211153 1173245552 /nfs/dbraw/zinc/24/55/52/1173245552.db2.gz RDFXNJKFWJDISV-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668117130 1173371415 /nfs/dbraw/zinc/37/14/15/1173371415.db2.gz DCMWALWCKGJQBL-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001671758897 1173710135 /nfs/dbraw/zinc/71/01/35/1173710135.db2.gz RPDVDMOJBANOQJ-MRXNPFEDSA-N 2 1 288.395 1.043 10 30 CDEEMP C(#CC[N@H+]1C[C@@H]2C[C@H]1CS2)CN1C[C@@H]2C[C@H]1CS2 ZINC000459794716 331301377 /nfs/dbraw/zinc/30/13/77/331301377.db2.gz NKEOVFHNKINNGR-XUXIUFHCSA-N 2 1 280.462 1.369 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001699641471 1176540700 /nfs/dbraw/zinc/54/07/00/1176540700.db2.gz CGBVCTQTLKOWAE-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001699641471 1176540703 /nfs/dbraw/zinc/54/07/03/1176540703.db2.gz CGBVCTQTLKOWAE-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001268068004 1159774197 /nfs/dbraw/zinc/77/41/97/1159774197.db2.gz IFIBOZSPWGMMBK-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C[C@H](C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665759288 482444158 /nfs/dbraw/zinc/44/41/58/482444158.db2.gz BUJWLIIQDAECJU-STQMWFEESA-N 2 1 270.421 1.132 10 30 CDEEMP C=C[C@H](C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665759288 482444159 /nfs/dbraw/zinc/44/41/59/482444159.db2.gz BUJWLIIQDAECJU-STQMWFEESA-N 2 1 270.421 1.132 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001671693226 1160983520 /nfs/dbraw/zinc/98/35/20/1160983520.db2.gz IFWIUXNEYPLOQK-HNNXBMFYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001671693226 1160983524 /nfs/dbraw/zinc/98/35/24/1160983524.db2.gz IFWIUXNEYPLOQK-HNNXBMFYSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001725730810 1182113555 /nfs/dbraw/zinc/11/35/55/1182113555.db2.gz YIRLCYKQZHCKAJ-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP CCN[C@@](C)(C#N)C[C@@H](C)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000068616256 520127887 /nfs/dbraw/zinc/12/78/87/520127887.db2.gz HWKAEDOMWUHVBC-GDBMZVCRSA-N 2 1 280.460 1.930 10 30 CDEEMP CN1CCC([N@@H+](C)Cc2ccc(F)c(C#CC[NH3+])c2)CC1 ZINC000049608603 523239961 /nfs/dbraw/zinc/23/99/61/523239961.db2.gz AIAAYJYTNJUQDH-UHFFFAOYSA-N 2 1 289.398 1.662 10 30 CDEEMP CN(Cc1ccc(F)c(C#CC[NH3+])c1)C1CC[NH+](C)CC1 ZINC000049608603 523239971 /nfs/dbraw/zinc/23/99/71/523239971.db2.gz AIAAYJYTNJUQDH-UHFFFAOYSA-N 2 1 289.398 1.662 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@H+]1CC[C@@H](C)C1 ZINC000049609463 523514324 /nfs/dbraw/zinc/51/43/24/523514324.db2.gz SJXZHOWZEMGHQB-CYBMUJFWSA-N 2 1 258.365 1.847 10 30 CDEEMP C[C@H]1C[NH+](Cc2ccccc2C#CC[NH3+])C[C@H](C)O1 ZINC000049608431 524634630 /nfs/dbraw/zinc/63/46/30/524634630.db2.gz DOEPSWMYRJXKSZ-KBPBESRZSA-N 2 1 258.365 1.606 10 30 CDEEMP C[C@@H]1C[N@@H+](Cc2cccc(C#CC[NH3+])c2)C[C@H](C)O1 ZINC000049608448 525000489 /nfs/dbraw/zinc/00/04/89/525000489.db2.gz ZGTGGBQWODWDAV-OKILXGFUSA-N 2 1 258.365 1.606 10 30 CDEEMP C[C@@H]1C[N@H+](Cc2cccc(C#CC[NH3+])c2)C[C@H](C)O1 ZINC000049608448 525000502 /nfs/dbraw/zinc/00/05/02/525000502.db2.gz ZGTGGBQWODWDAV-OKILXGFUSA-N 2 1 258.365 1.606 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001690278314 1175421962 /nfs/dbraw/zinc/42/19/62/1175421962.db2.gz DBZMVOKWVQHTIN-RBSFLKMASA-N 2 1 279.428 1.674 10 30 CDEEMP C#CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC000851807132 617650963 /nfs/dbraw/zinc/65/09/63/617650963.db2.gz AAPIIPVWTIMWID-HNNXBMFYSA-N 2 1 252.402 1.565 10 30 CDEEMP C#CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1CCCC1 ZINC000851807132 617650969 /nfs/dbraw/zinc/65/09/69/617650969.db2.gz AAPIIPVWTIMWID-HNNXBMFYSA-N 2 1 252.402 1.565 10 30 CDEEMP C#CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000851807132 617650981 /nfs/dbraw/zinc/65/09/81/617650981.db2.gz AAPIIPVWTIMWID-HNNXBMFYSA-N 2 1 252.402 1.565 10 30 CDEEMP C#CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000851807132 617650988 /nfs/dbraw/zinc/65/09/88/617650988.db2.gz AAPIIPVWTIMWID-HNNXBMFYSA-N 2 1 252.402 1.565 10 30 CDEEMP N#CCSCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931288851 617691878 /nfs/dbraw/zinc/69/18/78/617691878.db2.gz WCSQTTWEZOFQFJ-UHFFFAOYSA-N 2 1 297.468 1.820 10 30 CDEEMP N#CCSCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288851 617691882 /nfs/dbraw/zinc/69/18/82/617691882.db2.gz WCSQTTWEZOFQFJ-UHFFFAOYSA-N 2 1 297.468 1.820 10 30 CDEEMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902797041 625418033 /nfs/dbraw/zinc/41/80/33/625418033.db2.gz YRHQYGCCYMMBOZ-ZIAGYGMSSA-N 2 1 287.411 1.240 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000899982471 622597723 /nfs/dbraw/zinc/59/77/23/622597723.db2.gz KWNAGKIVJXWSAS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001691058559 1158854699 /nfs/dbraw/zinc/85/46/99/1158854699.db2.gz NNKRQVVCNURUPO-AWEZNQCLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CC(C)(C)C ZINC001691058559 1158854708 /nfs/dbraw/zinc/85/47/08/1158854708.db2.gz NNKRQVVCNURUPO-AWEZNQCLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691058559 1158854721 /nfs/dbraw/zinc/85/47/21/1158854721.db2.gz NNKRQVVCNURUPO-AWEZNQCLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001691058559 1158854734 /nfs/dbraw/zinc/85/47/34/1158854734.db2.gz NNKRQVVCNURUPO-AWEZNQCLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266994322 1159073181 /nfs/dbraw/zinc/07/31/81/1159073181.db2.gz LEHISLAXPLZHFX-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001691208949 1158956135 /nfs/dbraw/zinc/95/61/35/1158956135.db2.gz LZLIKMMMKBQPHW-MRXNPFEDSA-N 2 1 291.439 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001273010579 1161476794 /nfs/dbraw/zinc/47/67/94/1161476794.db2.gz PIUXNIOAIINCOL-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC001630637363 1166219251 /nfs/dbraw/zinc/21/92/51/1166219251.db2.gz ZFWXELFAHYBEKN-OAHLLOKOSA-N 2 1 279.428 1.295 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001567094360 1168558812 /nfs/dbraw/zinc/55/88/12/1168558812.db2.gz OPTKMDOZPVVNNT-LSDHHAIUSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567730834 1168940533 /nfs/dbraw/zinc/94/05/33/1168940533.db2.gz FJPDHXCIMWLMRK-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567730834 1168940540 /nfs/dbraw/zinc/94/05/40/1168940540.db2.gz FJPDHXCIMWLMRK-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001568430974 1169284001 /nfs/dbraw/zinc/28/40/01/1169284001.db2.gz CKWKJOYYHYZRPP-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001568907089 1169544222 /nfs/dbraw/zinc/54/42/22/1169544222.db2.gz CKDYDOFNLJQCOA-ZRUQZJFASA-N 2 1 288.395 1.202 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001569099085 1169644146 /nfs/dbraw/zinc/64/41/46/1169644146.db2.gz PTDPHTNNMZVNII-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001660351503 1172199964 /nfs/dbraw/zinc/19/99/64/1172199964.db2.gz FQGSZWPBCPVSGE-UHFFFAOYSA-N 2 1 299.378 1.505 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001660351503 1172199971 /nfs/dbraw/zinc/19/99/71/1172199971.db2.gz FQGSZWPBCPVSGE-UHFFFAOYSA-N 2 1 299.378 1.505 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001663124312 1172638487 /nfs/dbraw/zinc/63/84/87/1172638487.db2.gz WBZWROIKLMGGOM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1cc[nH+]c1C ZINC001663124312 1172638490 /nfs/dbraw/zinc/63/84/90/1172638490.db2.gz WBZWROIKLMGGOM-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663184707 1172651058 /nfs/dbraw/zinc/65/10/58/1172651058.db2.gz AQRGAALXQVNENI-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+](C)C(C)C)C1 ZINC001664685828 1172886856 /nfs/dbraw/zinc/88/68/56/1172886856.db2.gz FEZYDPPPDQISEO-MRXNPFEDSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001664685828 1172886861 /nfs/dbraw/zinc/88/68/61/1172886861.db2.gz FEZYDPPPDQISEO-MRXNPFEDSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001664685828 1172886868 /nfs/dbraw/zinc/88/68/68/1172886868.db2.gz FEZYDPPPDQISEO-MRXNPFEDSA-N 2 1 293.455 1.663 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC001586975571 1172967355 /nfs/dbraw/zinc/96/73/55/1172967355.db2.gz ZWTSTZKHTSZOHQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001669399536 1173546546 /nfs/dbraw/zinc/54/65/46/1173546546.db2.gz CHUFXGRQTHUZKL-TZMCWYRMSA-N 2 1 290.411 1.424 10 30 CDEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001671805515 1173713382 /nfs/dbraw/zinc/71/33/82/1173713382.db2.gz SPSGECISFAVPCW-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001675832349 1174152085 /nfs/dbraw/zinc/15/20/85/1174152085.db2.gz KILOHRRGNQAOKB-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001676817443 1174277598 /nfs/dbraw/zinc/27/75/98/1174277598.db2.gz YHPJZTKPYATLRX-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001689318982 1175144091 /nfs/dbraw/zinc/14/40/91/1175144091.db2.gz XQWSYPJBRLAFSD-KGLIPLIRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001689318982 1175144096 /nfs/dbraw/zinc/14/40/96/1175144096.db2.gz XQWSYPJBRLAFSD-KGLIPLIRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001689318982 1175144088 /nfs/dbraw/zinc/14/40/88/1175144088.db2.gz XQWSYPJBRLAFSD-KGLIPLIRSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001690458944 1175476362 /nfs/dbraw/zinc/47/63/62/1175476362.db2.gz JMEQEJPAWKFCJD-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001691861079 1175637704 /nfs/dbraw/zinc/63/77/04/1175637704.db2.gz PZCBMKMMSACUJX-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001691924684 1175652746 /nfs/dbraw/zinc/65/27/46/1175652746.db2.gz LLVZAYFYZKGBIR-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC001692198710 1175700247 /nfs/dbraw/zinc/70/02/47/1175700247.db2.gz DPZYURQSZUGGCB-ZBFHGGJFSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001692382281 1175754932 /nfs/dbraw/zinc/75/49/32/1175754932.db2.gz HHLMOPYSVKKDQE-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001692382281 1175754939 /nfs/dbraw/zinc/75/49/39/1175754939.db2.gz HHLMOPYSVKKDQE-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001692382281 1175754943 /nfs/dbraw/zinc/75/49/43/1175754943.db2.gz HHLMOPYSVKKDQE-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001699641471 1176540693 /nfs/dbraw/zinc/54/06/93/1176540693.db2.gz CGBVCTQTLKOWAE-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001700450844 1176937172 /nfs/dbraw/zinc/93/71/72/1176937172.db2.gz DOOJGAVJTISTLI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700450844 1176937175 /nfs/dbraw/zinc/93/71/75/1176937175.db2.gz DOOJGAVJTISTLI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700450844 1176937180 /nfs/dbraw/zinc/93/71/80/1176937180.db2.gz DOOJGAVJTISTLI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001713063638 1178340977 /nfs/dbraw/zinc/34/09/77/1178340977.db2.gz OERPMKDYZSBUKC-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001713098378 1178365208 /nfs/dbraw/zinc/36/52/08/1178365208.db2.gz MJASXIPEIICKAO-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713172784 1178411980 /nfs/dbraw/zinc/41/19/80/1178411980.db2.gz GGGLWUMRZZNXDO-FZKCQIBNSA-N 2 1 293.455 1.920 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713202846 1178429276 /nfs/dbraw/zinc/42/92/76/1178429276.db2.gz SNDDMIBYOWQFNG-OWCLPIDISA-N 2 1 291.439 1.509 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713247326 1178451466 /nfs/dbraw/zinc/45/14/66/1178451466.db2.gz XOMZXGOLDZGTKK-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713759719 1178741774 /nfs/dbraw/zinc/74/17/74/1178741774.db2.gz PMPPHGCACHTIQL-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714003716 1178923238 /nfs/dbraw/zinc/92/32/38/1178923238.db2.gz KDPNOLASIJHENV-CABCVRRESA-N 2 1 297.418 1.222 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001714067126 1178957191 /nfs/dbraw/zinc/95/71/91/1178957191.db2.gz OMZGABWVUDFSAP-QLFBSQMISA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155946 1178994304 /nfs/dbraw/zinc/99/43/04/1178994304.db2.gz LLVKPSCCZIRDNM-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155946 1178994310 /nfs/dbraw/zinc/99/43/10/1178994310.db2.gz LLVKPSCCZIRDNM-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155946 1178994316 /nfs/dbraw/zinc/99/43/16/1178994316.db2.gz LLVKPSCCZIRDNM-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001714884100 1179437377 /nfs/dbraw/zinc/43/73/77/1179437377.db2.gz GRRYRIKGERTTGR-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001714884100 1179437378 /nfs/dbraw/zinc/43/73/78/1179437378.db2.gz GRRYRIKGERTTGR-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001715188858 1179573573 /nfs/dbraw/zinc/57/35/73/1179573573.db2.gz CPBYMSBOCLFYSR-SHTZXODSSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001715202033 1179575898 /nfs/dbraw/zinc/57/58/98/1179575898.db2.gz MKODKODBOQJFFE-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001715368854 1179645697 /nfs/dbraw/zinc/64/56/97/1179645697.db2.gz KWBXRFKFMKGXCQ-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716042560 1180016942 /nfs/dbraw/zinc/01/69/42/1180016942.db2.gz QMZGFJHSKGRYSV-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001716224399 1180110531 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C=CC[C@@H](C)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311686 756418880 /nfs/dbraw/zinc/41/88/80/756418880.db2.gz UROSWSFUDYQJID-CQSZACIVSA-N 2 1 253.434 1.909 10 30 CDEEMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240834 756498314 /nfs/dbraw/zinc/49/83/14/756498314.db2.gz ZMEAUECJRIQOHN-WBVHZDCISA-N 2 1 285.391 1.070 10 30 CDEEMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1)C1CC1 ZINC000872240834 756498333 /nfs/dbraw/zinc/49/83/33/756498333.db2.gz ZMEAUECJRIQOHN-WBVHZDCISA-N 2 1 285.391 1.070 10 30 CDEEMP [NH2+]=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)NC1CC1 ZINC000195165132 756595390 /nfs/dbraw/zinc/59/53/90/756595390.db2.gz QKPBXUKEVQZYAB-AWEZNQCLSA-N 2 1 272.396 1.575 10 30 CDEEMP C=CCC[C@H](O)C[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311543 756684816 /nfs/dbraw/zinc/68/48/16/756684816.db2.gz RLHMWWVNGHPCOF-KKUMJFAQSA-N 2 1 252.402 1.587 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC ZINC000926152538 757082524 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C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001566111023 1168236645 /nfs/dbraw/zinc/23/66/45/1168236645.db2.gz MHQASAZOVOYKEN-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001566103348 1168238568 /nfs/dbraw/zinc/23/85/68/1168238568.db2.gz GFJGXLXBSLIECQ-ILXRZTDVSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001566629188 1168363453 /nfs/dbraw/zinc/36/34/53/1168363453.db2.gz UOVOTBLXYZMLJI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567404139 1168735687 /nfs/dbraw/zinc/73/56/87/1168735687.db2.gz UWBDRYUXDCGYPP-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567404139 1168735698 /nfs/dbraw/zinc/73/56/98/1168735698.db2.gz UWBDRYUXDCGYPP-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567404139 1168735709 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C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC(=C)C ZINC001266285392 894124335 /nfs/dbraw/zinc/12/43/35/894124335.db2.gz XDRCMKZFJLUSJM-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001266298391 894252865 /nfs/dbraw/zinc/25/28/65/894252865.db2.gz IFKLSWPAJBBMHP-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001266298391 894252877 /nfs/dbraw/zinc/25/28/77/894252877.db2.gz IFKLSWPAJBBMHP-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266483066 895033727 /nfs/dbraw/zinc/03/37/27/895033727.db2.gz NCNAQBNYGNIAAJ-AWEZNQCLSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266483066 895033741 /nfs/dbraw/zinc/03/37/41/895033741.db2.gz NCNAQBNYGNIAAJ-AWEZNQCLSA-N 2 1 290.411 1.773 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001266770410 896013700 /nfs/dbraw/zinc/01/37/00/896013700.db2.gz VUXKDCJUBMAMSR-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001567524449 1168830081 /nfs/dbraw/zinc/83/00/81/1168830081.db2.gz RVSBFWADJBQJTA-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001267045128 896627110 /nfs/dbraw/zinc/62/71/10/896627110.db2.gz NIXDLYUXFJYSED-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001267107826 896811805 /nfs/dbraw/zinc/81/18/05/896811805.db2.gz KABMKNLWCXTFPU-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267107826 896811817 /nfs/dbraw/zinc/81/18/17/896811817.db2.gz KABMKNLWCXTFPU-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267107825 896812733 /nfs/dbraw/zinc/81/27/33/896812733.db2.gz KABMKNLWCXTFPU-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267107825 896812748 /nfs/dbraw/zinc/81/27/48/896812748.db2.gz KABMKNLWCXTFPU-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267198873 897122245 /nfs/dbraw/zinc/12/22/45/897122245.db2.gz BUMALNYKAWHOCI-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267198873 897122252 /nfs/dbraw/zinc/12/22/52/897122252.db2.gz BUMALNYKAWHOCI-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001267198873 897122258 /nfs/dbraw/zinc/12/22/58/897122258.db2.gz BUMALNYKAWHOCI-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001267198873 897122266 /nfs/dbraw/zinc/12/22/66/897122266.db2.gz BUMALNYKAWHOCI-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001480935781 897755543 /nfs/dbraw/zinc/75/55/43/897755543.db2.gz RUYATGKZSYXEOL-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001267569428 898405843 /nfs/dbraw/zinc/40/58/43/898405843.db2.gz VFDUOLDPOIZBQX-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267580413 898516792 /nfs/dbraw/zinc/51/67/92/898516792.db2.gz WMORZCVUJWAMFP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267580413 898516805 /nfs/dbraw/zinc/51/68/05/898516805.db2.gz WMORZCVUJWAMFP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267580413 898516819 /nfs/dbraw/zinc/51/68/19/898516819.db2.gz WMORZCVUJWAMFP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001481044710 898679624 /nfs/dbraw/zinc/67/96/24/898679624.db2.gz SDGHYEHLWDFJHE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001481044710 898679634 /nfs/dbraw/zinc/67/96/34/898679634.db2.gz SDGHYEHLWDFJHE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001481044710 898679645 /nfs/dbraw/zinc/67/96/45/898679645.db2.gz SDGHYEHLWDFJHE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001481136395 898963541 /nfs/dbraw/zinc/96/35/41/898963541.db2.gz BUMOZVVMVYVSFC-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001481136395 898963550 /nfs/dbraw/zinc/96/35/50/898963550.db2.gz BUMOZVVMVYVSFC-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001481136395 898963557 /nfs/dbraw/zinc/96/35/57/898963557.db2.gz BUMOZVVMVYVSFC-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267633675 899102179 /nfs/dbraw/zinc/10/21/79/899102179.db2.gz JOMCJXZEZZASIX-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)C[N@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267857556 899881293 /nfs/dbraw/zinc/88/12/93/899881293.db2.gz BOADHYDOQDQSIH-RHSMWYFYSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001268032957 900659887 /nfs/dbraw/zinc/65/98/87/900659887.db2.gz FXWZGESVLTVQGM-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001481529868 901083680 /nfs/dbraw/zinc/08/36/80/901083680.db2.gz NFSRGGZZCAJDBS-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001481529868 901083692 /nfs/dbraw/zinc/08/36/92/901083692.db2.gz NFSRGGZZCAJDBS-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001268075742 901104853 /nfs/dbraw/zinc/10/48/53/901104853.db2.gz TYEFWOQPWPBUIN-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001268242734 901652293 /nfs/dbraw/zinc/65/22/93/901652293.db2.gz BUXOHGLIMZYGTK-AWEZNQCLSA-N 2 1 292.427 1.936 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001268242734 901652301 /nfs/dbraw/zinc/65/23/01/901652301.db2.gz BUXOHGLIMZYGTK-AWEZNQCLSA-N 2 1 292.427 1.936 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=C)C ZINC001481819926 902176557 /nfs/dbraw/zinc/17/65/57/902176557.db2.gz GRWIQKVXZSYXRZ-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=C)C ZINC001481819926 902176560 /nfs/dbraw/zinc/17/65/60/902176560.db2.gz GRWIQKVXZSYXRZ-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001481826647 902183744 /nfs/dbraw/zinc/18/37/44/902183744.db2.gz SUQIVHVVXMYZJU-AWEZNQCLSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001268540011 902532724 /nfs/dbraw/zinc/53/27/24/902532724.db2.gz BDLVZINTKGZQOR-GJBLVYBDSA-N 2 1 265.401 1.307 10 30 CDEEMP C#CCCN1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001268970033 903286772 /nfs/dbraw/zinc/28/67/72/903286772.db2.gz ULISCCXVPLWHKX-GJZGRUSLSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC001268970033 903286786 /nfs/dbraw/zinc/28/67/86/903286786.db2.gz ULISCCXVPLWHKX-GJZGRUSLSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)CC(C)(C)C ZINC001268970033 903286794 /nfs/dbraw/zinc/28/67/94/903286794.db2.gz ULISCCXVPLWHKX-GJZGRUSLSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)CC(C)(C)C ZINC001268970033 903286813 /nfs/dbraw/zinc/28/68/13/903286813.db2.gz ULISCCXVPLWHKX-GJZGRUSLSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001269079931 903400360 /nfs/dbraw/zinc/40/03/60/903400360.db2.gz VRARHIRSACTXOE-AWEZNQCLSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269800057 904119598 /nfs/dbraw/zinc/11/95/98/904119598.db2.gz IPTFKKDWCRZKBU-CQSZACIVSA-N 2 1 293.455 1.968 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001284640588 904129904 /nfs/dbraw/zinc/12/99/04/904129904.db2.gz GONUVGREPROWOY-CABCVRRESA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001270458021 904653182 /nfs/dbraw/zinc/65/31/82/904653182.db2.gz JDEKKFJALKYZJA-OAHLLOKOSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001270840367 905125666 /nfs/dbraw/zinc/12/56/66/905125666.db2.gz NNAUYXRKEZTPET-GDBMZVCRSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001271600626 906537620 /nfs/dbraw/zinc/53/76/20/906537620.db2.gz SKKQSKDJDTYUAA-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001271720703 906633739 /nfs/dbraw/zinc/63/37/39/906633739.db2.gz FLHIYKJPGUYSOW-LSDHHAIUSA-N 2 1 279.428 1.034 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001482609674 907899534 /nfs/dbraw/zinc/89/95/34/907899534.db2.gz AWXJLBCDPFRTNR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001482609674 907899551 /nfs/dbraw/zinc/89/95/51/907899551.db2.gz AWXJLBCDPFRTNR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001482609674 907899559 /nfs/dbraw/zinc/89/95/59/907899559.db2.gz AWXJLBCDPFRTNR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001482609674 907899569 /nfs/dbraw/zinc/89/95/69/907899569.db2.gz AWXJLBCDPFRTNR-HNNXBMFYSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001272085481 908164917 /nfs/dbraw/zinc/16/49/17/908164917.db2.gz OYXODAFMAPNLGA-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001483067500 909250757 /nfs/dbraw/zinc/25/07/57/909250757.db2.gz DUERVGMFRHSQKF-WCYDHSITSA-N 2 1 277.412 1.451 10 30 CDEEMP C=CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001483812154 915096996 /nfs/dbraw/zinc/09/69/96/915096996.db2.gz KSUZIZTZEAXJMI-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001483812154 915097014 /nfs/dbraw/zinc/09/70/14/915097014.db2.gz KSUZIZTZEAXJMI-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001483812154 915097031 /nfs/dbraw/zinc/09/70/31/915097031.db2.gz KSUZIZTZEAXJMI-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484549586 915878414 /nfs/dbraw/zinc/87/84/14/915878414.db2.gz KWMGFBKYIDJKKV-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCC1 ZINC001484634274 915964790 /nfs/dbraw/zinc/96/47/90/915964790.db2.gz INRXSCFXJAJCMA-LSDHHAIUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001484742679 916109121 /nfs/dbraw/zinc/10/91/21/916109121.db2.gz KOMOIMFSBBPRFP-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484742679 916109133 /nfs/dbraw/zinc/10/91/33/916109133.db2.gz KOMOIMFSBBPRFP-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484742679 916109141 /nfs/dbraw/zinc/10/91/41/916109141.db2.gz KOMOIMFSBBPRFP-HUUCEWRRSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001484747821 916131371 /nfs/dbraw/zinc/13/13/71/916131371.db2.gz ABQPQHNNHZYTOZ-UHFFFAOYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484909970 916263561 /nfs/dbraw/zinc/26/35/61/916263561.db2.gz QZMVPYXHLHHELD-KBPBESRZSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001137534641 936361080 /nfs/dbraw/zinc/36/10/80/936361080.db2.gz FQUNJZUQDHUVIT-AWEZNQCLSA-N 2 1 267.417 1.198 10 30 CDEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485373761 916907649 /nfs/dbraw/zinc/90/76/49/916907649.db2.gz WHTHUPAWQQEMPG-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373761 916907664 /nfs/dbraw/zinc/90/76/64/916907664.db2.gz WHTHUPAWQQEMPG-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373761 916907678 /nfs/dbraw/zinc/90/76/78/916907678.db2.gz WHTHUPAWQQEMPG-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)c1cc(C[NH+](C)C)on1 ZINC001273477138 918114585 /nfs/dbraw/zinc/11/45/85/918114585.db2.gz ZLZKPNCAEZSLAN-UHFFFAOYSA-N 2 1 294.399 1.364 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490911567 936719418 /nfs/dbraw/zinc/71/94/18/936719418.db2.gz PQQMLNMTSIHJLS-HDJSIYSDSA-N 2 1 276.384 1.395 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491126445 936862043 /nfs/dbraw/zinc/86/20/43/936862043.db2.gz YGZFVBRYLWBRJD-GJZGRUSLSA-N 2 1 279.428 1.034 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001489056178 926783566 /nfs/dbraw/zinc/78/35/66/926783566.db2.gz QJSIEXKQSLDITN-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001493043173 926906288 /nfs/dbraw/zinc/90/62/88/926906288.db2.gz NBPNFKKDDIGFJZ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001493043173 926906294 /nfs/dbraw/zinc/90/62/94/926906294.db2.gz NBPNFKKDDIGFJZ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001493043173 926906303 /nfs/dbraw/zinc/90/63/03/926906303.db2.gz NBPNFKKDDIGFJZ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001490256078 927065551 /nfs/dbraw/zinc/06/55/51/927065551.db2.gz LAHQYBKRLVGZIT-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001274287120 931488002 /nfs/dbraw/zinc/48/80/02/931488002.db2.gz NNPZAPODFWIAOD-KIUWMYQTSA-N 2 1 279.428 1.699 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)CC1 ZINC001280769467 942483259 /nfs/dbraw/zinc/48/32/59/942483259.db2.gz HGIGUINDPYLPKU-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001280769467 942483261 /nfs/dbraw/zinc/48/32/61/942483261.db2.gz HGIGUINDPYLPKU-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)CC1 ZINC001280769467 942483265 /nfs/dbraw/zinc/48/32/65/942483265.db2.gz HGIGUINDPYLPKU-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)C ZINC001281721812 942613537 /nfs/dbraw/zinc/61/35/37/942613537.db2.gz HAOJWMMYQGIPIS-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC(C)C ZINC001281721812 942613542 /nfs/dbraw/zinc/61/35/42/942613542.db2.gz HAOJWMMYQGIPIS-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001281991200 942641389 /nfs/dbraw/zinc/64/13/89/942641389.db2.gz SOEXMGQXZMGENJ-JXQTWKCFSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001282399075 942706661 /nfs/dbraw/zinc/70/66/61/942706661.db2.gz QSPIDCYMGGMAHC-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001282399075 942706665 /nfs/dbraw/zinc/70/66/65/942706665.db2.gz QSPIDCYMGGMAHC-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001282399075 942706671 /nfs/dbraw/zinc/70/66/71/942706671.db2.gz QSPIDCYMGGMAHC-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001284153473 943090691 /nfs/dbraw/zinc/09/06/91/943090691.db2.gz KZFFPGJOMHEDEB-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001284153473 943090699 /nfs/dbraw/zinc/09/06/99/943090699.db2.gz KZFFPGJOMHEDEB-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001284153473 943090709 /nfs/dbraw/zinc/09/07/09/943090709.db2.gz KZFFPGJOMHEDEB-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001284976390 943303970 /nfs/dbraw/zinc/30/39/70/943303970.db2.gz GUWYEVXKFUNTHE-MRXNPFEDSA-N 2 1 293.455 1.897 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001264175808 944093337 /nfs/dbraw/zinc/09/33/37/944093337.db2.gz ZTDGKBLIMJJOKT-PMPSAXMXSA-N 2 1 291.439 1.319 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001264175808 944093346 /nfs/dbraw/zinc/09/33/46/944093346.db2.gz ZTDGKBLIMJJOKT-PMPSAXMXSA-N 2 1 291.439 1.319 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001265367654 944360338 /nfs/dbraw/zinc/36/03/38/944360338.db2.gz AWCZXGTWKLOGSZ-CWRNSKLLSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265655969 944459159 /nfs/dbraw/zinc/45/91/59/944459159.db2.gz SUDGAQYZWWPKCE-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655969 944459162 /nfs/dbraw/zinc/45/91/62/944459162.db2.gz SUDGAQYZWWPKCE-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655969 944459164 /nfs/dbraw/zinc/45/91/64/944459164.db2.gz SUDGAQYZWWPKCE-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001265654410 944459732 /nfs/dbraw/zinc/45/97/32/944459732.db2.gz UEZJUJPHKLGAEF-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278450082 948199840 /nfs/dbraw/zinc/19/98/40/948199840.db2.gz BAFXJEYANWIIMD-IJEWVQPXSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001278467648 948464492 /nfs/dbraw/zinc/46/44/92/948464492.db2.gz SUTAJRTYBSQJFC-GDBMZVCRSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001278467648 948464495 /nfs/dbraw/zinc/46/44/95/948464495.db2.gz SUTAJRTYBSQJFC-GDBMZVCRSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001278467648 948464500 /nfs/dbraw/zinc/46/45/00/948464500.db2.gz SUTAJRTYBSQJFC-GDBMZVCRSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001480020317 971541251 /nfs/dbraw/zinc/54/12/51/971541251.db2.gz RICKBTZTLCKAMM-LSDHHAIUSA-N 2 1 279.428 1.530 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H](C)Cc1cnc[nH]1)C1CC1 ZINC001480053557 971556068 /nfs/dbraw/zinc/55/60/68/971556068.db2.gz NPCGRIDAEPMCSF-RISCZKNCSA-N 2 1 276.384 1.259 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001480320363 971669199 /nfs/dbraw/zinc/66/91/99/971669199.db2.gz UEZJUJPHKLGAEF-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001278612830 950465244 /nfs/dbraw/zinc/46/52/44/950465244.db2.gz GTUSEHUIWZAVMW-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001480368274 971689324 /nfs/dbraw/zinc/68/93/24/971689324.db2.gz XCDBMQCZGFTJNV-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001480410479 971707384 /nfs/dbraw/zinc/70/73/84/971707384.db2.gz LBBCRZTXIQPHNK-FHERZECASA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001278678089 951609121 /nfs/dbraw/zinc/60/91/21/951609121.db2.gz NJCLPTXDMAPIPY-QGZVFWFLSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480666857 971832171 /nfs/dbraw/zinc/83/21/71/971832171.db2.gz ZPZAVJKPTCELGU-AWEZNQCLSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001324497824 953414730 /nfs/dbraw/zinc/41/47/30/953414730.db2.gz OEORFWSAZJRCJC-GDBMZVCRSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001324903563 953627837 /nfs/dbraw/zinc/62/78/37/953627837.db2.gz ANFYXSYDMUJZAD-OAHLLOKOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001328459104 955300965 /nfs/dbraw/zinc/30/09/65/955300965.db2.gz MGQQEYDZFYIFJB-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001329877539 956159152 /nfs/dbraw/zinc/15/91/52/956159152.db2.gz WULKRPDCDGRJQD-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001316739205 956294303 /nfs/dbraw/zinc/29/43/03/956294303.db2.gz NSNKLXQADGMSBP-RRFJBIMHSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001330511641 956458202 /nfs/dbraw/zinc/45/82/02/956458202.db2.gz CNTBJYKGLKWTRF-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001330511641 956458212 /nfs/dbraw/zinc/45/82/12/956458212.db2.gz CNTBJYKGLKWTRF-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001330511641 956458215 /nfs/dbraw/zinc/45/82/15/956458215.db2.gz CNTBJYKGLKWTRF-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494485300 972241082 /nfs/dbraw/zinc/24/10/82/972241082.db2.gz RJWBYJVCXHXSDO-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001316980725 957175009 /nfs/dbraw/zinc/17/50/09/957175009.db2.gz CTYUPABLDPKUJZ-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316980725 957175017 /nfs/dbraw/zinc/17/50/17/957175017.db2.gz CTYUPABLDPKUJZ-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001316980725 957175025 /nfs/dbraw/zinc/17/50/25/957175025.db2.gz CTYUPABLDPKUJZ-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317045816 957224437 /nfs/dbraw/zinc/22/44/37/957224437.db2.gz RLFKPBKUMVGKIZ-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317045816 957224449 /nfs/dbraw/zinc/22/44/49/957224449.db2.gz RLFKPBKUMVGKIZ-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317045816 957224457 /nfs/dbraw/zinc/22/44/57/957224457.db2.gz RLFKPBKUMVGKIZ-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317114759 957280591 /nfs/dbraw/zinc/28/05/91/957280591.db2.gz GANKNVIOXBIRNT-HZSPNIEDSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317145142 957304053 /nfs/dbraw/zinc/30/40/53/957304053.db2.gz XGVQKIUPTGMHOQ-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317245223 957375428 /nfs/dbraw/zinc/37/54/28/957375428.db2.gz GGGXUIASNYKHNV-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001317320947 957422789 /nfs/dbraw/zinc/42/27/89/957422789.db2.gz CSWZGDQKRGQLID-HZPDHXFCSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=C)Cl ZINC001317396329 957451454 /nfs/dbraw/zinc/45/14/54/957451454.db2.gz NHAVQKQIBRNSGR-KBPBESRZSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=C)Cl ZINC001317396329 957451457 /nfs/dbraw/zinc/45/14/57/957451457.db2.gz NHAVQKQIBRNSGR-KBPBESRZSA-N 2 1 297.830 1.321 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317490867 957509426 /nfs/dbraw/zinc/50/94/26/957509426.db2.gz JYQCWFIAWFSGED-AWEZNQCLSA-N 2 1 267.417 1.034 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491118 957509457 /nfs/dbraw/zinc/50/94/57/957509457.db2.gz PXMGITHBZAWNSH-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001317934502 957823810 /nfs/dbraw/zinc/82/38/10/957823810.db2.gz ZSPPFGGKJDDRMJ-CABCVRRESA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318061602 957894761 /nfs/dbraw/zinc/89/47/61/957894761.db2.gz ZMZXSHGRWKMHRM-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318061602 957894777 /nfs/dbraw/zinc/89/47/77/957894777.db2.gz ZMZXSHGRWKMHRM-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001367411277 957999590 /nfs/dbraw/zinc/99/95/90/957999590.db2.gz XXJKYAHAMNTVDE-VXGBXAGGSA-N 2 1 273.808 1.127 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001494910074 972334152 /nfs/dbraw/zinc/33/41/52/972334152.db2.gz MGRIOGGHLPDCKI-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001319476710 958585321 /nfs/dbraw/zinc/58/53/21/958585321.db2.gz ITZHBAARXHAQRS-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH+](C)CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001319889767 958770874 /nfs/dbraw/zinc/77/08/74/958770874.db2.gz XEHFRUDZZCFFAV-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[N@@H+](C)CCC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001319889767 958770883 /nfs/dbraw/zinc/77/08/83/958770883.db2.gz XEHFRUDZZCFFAV-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001319889767 958770895 /nfs/dbraw/zinc/77/08/95/958770895.db2.gz XEHFRUDZZCFFAV-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC ZINC001320449577 959180705 /nfs/dbraw/zinc/18/07/05/959180705.db2.gz FAJMUQPAEBSCQF-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC ZINC001320449577 959180712 /nfs/dbraw/zinc/18/07/12/959180712.db2.gz FAJMUQPAEBSCQF-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247611 960149217 /nfs/dbraw/zinc/14/92/17/960149217.db2.gz FKTFHFVCHGCTGP-YNEHKIRRSA-N 2 1 276.384 1.146 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247609 960150418 /nfs/dbraw/zinc/15/04/18/960150418.db2.gz FKTFHFVCHGCTGP-JHJVBQTASA-N 2 1 276.384 1.146 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C1CC[NH+](C2CC2)CC1 ZINC001556467028 965045999 /nfs/dbraw/zinc/04/59/99/965045999.db2.gz XBFWUZPORJFBCL-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001495815759 972648803 /nfs/dbraw/zinc/64/88/03/972648803.db2.gz RYANSVALVUINIB-GOEBONIOSA-N 2 1 289.423 1.817 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001496127650 972805844 /nfs/dbraw/zinc/80/58/44/972805844.db2.gz JRKMINCVBQQEPQ-HNNXBMFYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001497619745 973435531 /nfs/dbraw/zinc/43/55/31/973435531.db2.gz GOPCMCPMJCILDP-NFAHFFEMSA-N 2 1 277.412 1.002 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001417982563 973514375 /nfs/dbraw/zinc/51/43/75/973514375.db2.gz JKDWXSHLZQYVPE-UONOGXRCSA-N 2 1 299.846 1.708 10 30 CDEEMP C=C(Cl)C[NH2+]CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001498559419 973983013 /nfs/dbraw/zinc/98/30/13/973983013.db2.gz HOYUEULZCFGZHE-UHFFFAOYSA-N 2 1 287.835 1.661 10 30 CDEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001506549756 975177803 /nfs/dbraw/zinc/17/78/03/975177803.db2.gz UAFOCXSDXFOLTE-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C(C)C ZINC001507802485 975545806 /nfs/dbraw/zinc/54/58/06/975545806.db2.gz ULMFQIUEEFNZGO-INIZCTEOSA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)C(C)C ZINC001507856101 975549455 /nfs/dbraw/zinc/54/94/55/975549455.db2.gz VWWYLCXGEMNIFZ-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001507856101 975549467 /nfs/dbraw/zinc/54/94/67/975549467.db2.gz VWWYLCXGEMNIFZ-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001507856101 975549481 /nfs/dbraw/zinc/54/94/81/975549481.db2.gz VWWYLCXGEMNIFZ-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@@H+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545685 1174126308 /nfs/dbraw/zinc/12/63/08/1174126308.db2.gz QTOAECMTZLCOFU-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545685 1174126313 /nfs/dbraw/zinc/12/63/13/1174126313.db2.gz QTOAECMTZLCOFU-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CC[C@@H](C)C3)[C@@H]2C1 ZINC001675545685 1174126321 /nfs/dbraw/zinc/12/63/21/1174126321.db2.gz QTOAECMTZLCOFU-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001676783155 1174270848 /nfs/dbraw/zinc/27/08/48/1174270848.db2.gz KBZQZHHUWKYTLT-OCCSQVGLSA-N 2 1 276.384 1.347 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)Cn1c[nH+]cc1C ZINC001570811439 1170284943 /nfs/dbraw/zinc/28/49/43/1170284943.db2.gz DULGMKHENSYGHP-CQSZACIVSA-N 2 1 276.384 1.089 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594437103 342898647 /nfs/dbraw/zinc/89/86/47/342898647.db2.gz IAIREWQEHGMXQE-ZIAGYGMSSA-N 2 1 280.416 1.340 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001660330708 1172196492 /nfs/dbraw/zinc/19/64/92/1172196492.db2.gz WHOHLMUZMMYQIU-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001660330708 1172196499 /nfs/dbraw/zinc/19/64/99/1172196499.db2.gz WHOHLMUZMMYQIU-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001660330708 1172196505 /nfs/dbraw/zinc/19/65/05/1172196505.db2.gz WHOHLMUZMMYQIU-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP COc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1C#N ZINC000578453074 356657436 /nfs/dbraw/zinc/65/74/36/356657436.db2.gz FFWUWEBHLGAHOM-UHFFFAOYSA-N 2 1 259.353 1.752 10 30 CDEEMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000345176745 359702737 /nfs/dbraw/zinc/70/27/37/359702737.db2.gz RFWPOBDUMMKWPX-UHFFFAOYSA-N 2 1 281.363 1.557 10 30 CDEEMP C=C(C)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001660798398 1172277877 /nfs/dbraw/zinc/27/78/77/1172277877.db2.gz XTVJFIVFGJDWNY-UHFFFAOYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660988248 1172314657 /nfs/dbraw/zinc/31/46/57/1172314657.db2.gz KRGXWRNSIYWJGD-KBPBESRZSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001660988248 1172314661 /nfs/dbraw/zinc/31/46/61/1172314661.db2.gz KRGXWRNSIYWJGD-KBPBESRZSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662729011 1172586973 /nfs/dbraw/zinc/58/69/73/1172586973.db2.gz UVQARDRECWJAAW-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647902730 391200731 /nfs/dbraw/zinc/20/07/31/391200731.db2.gz BNHHYDHSSDXXFF-KKUMJFAQSA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1=O ZINC000647902730 391200735 /nfs/dbraw/zinc/20/07/35/391200735.db2.gz BNHHYDHSSDXXFF-KKUMJFAQSA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001664553006 1172867772 /nfs/dbraw/zinc/86/77/72/1172867772.db2.gz KXEJIXUQIATQNM-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCSCC2)s1 ZINC000043684041 175091722 /nfs/dbraw/zinc/09/17/22/175091722.db2.gz PQLDDWVHMPAFJZ-UHFFFAOYSA-N 2 1 266.435 1.997 10 30 CDEEMP C[C@H](c1ccc(C#N)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148526 176044095 /nfs/dbraw/zinc/04/40/95/176044095.db2.gz FZSZWEPJOPPQAL-CQSZACIVSA-N 2 1 272.396 1.456 10 30 CDEEMP CN(Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190482 176066772 /nfs/dbraw/zinc/06/67/72/176066772.db2.gz XXQRROUCCSZJDP-CQSZACIVSA-N 2 1 289.398 1.519 10 30 CDEEMP C[N@@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071190482 176066773 /nfs/dbraw/zinc/06/67/73/176066773.db2.gz XXQRROUCCSZJDP-CQSZACIVSA-N 3 1 289.398 1.519 10 30 CDEEMP C[N@H+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071190482 176066774 /nfs/dbraw/zinc/06/67/74/176066774.db2.gz XXQRROUCCSZJDP-CQSZACIVSA-N 3 1 289.398 1.519 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071190482 176066775 /nfs/dbraw/zinc/06/67/75/176066775.db2.gz XXQRROUCCSZJDP-CQSZACIVSA-N 3 1 289.398 1.519 10 30 CDEEMP C[NH+](Cc1ccc(F)cc1C#CC[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190482 176066777 /nfs/dbraw/zinc/06/67/77/176066777.db2.gz XXQRROUCCSZJDP-CQSZACIVSA-N 3 1 289.398 1.519 10 30 CDEEMP C[N@@H+](CCCC[C@@](C)(N)C#N)C[C@@H]1CC[NH+](C)C1 ZINC000071190774 176068048 /nfs/dbraw/zinc/06/80/48/176068048.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 2 1 252.406 1.281 10 30 CDEEMP C[NH+](CCCC[C@@](C)(N)C#N)C[C@@H]1CC[N@H+](C)C1 ZINC000071190774 176068050 /nfs/dbraw/zinc/06/80/50/176068050.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 2 1 252.406 1.281 10 30 CDEEMP C[NH+](CCCC[C@@](C)(N)C#N)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190774 176068052 /nfs/dbraw/zinc/06/80/52/176068052.db2.gz KHLNFPLHYQRKEZ-UONOGXRCSA-N 2 1 252.406 1.281 10 30 CDEEMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(C#CC[NH3+])cc1 ZINC000071192976 176074524 /nfs/dbraw/zinc/07/45/24/176074524.db2.gz VZMNGVSPXTYHRA-OAHLLOKOSA-N 2 1 285.391 1.021 10 30 CDEEMP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001665995814 1173098530 /nfs/dbraw/zinc/09/85/30/1173098530.db2.gz MGWDRRFKIHXHLU-FRFSOERESA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001667519641 1173279296 /nfs/dbraw/zinc/27/92/96/1173279296.db2.gz KEPYMPRYVRREHF-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001667519641 1173279309 /nfs/dbraw/zinc/27/93/09/1173279309.db2.gz KEPYMPRYVRREHF-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001667652441 1173307502 /nfs/dbraw/zinc/30/75/02/1173307502.db2.gz FWQHZVKEWJZGSD-UHFFFAOYSA-N 2 1 265.401 1.049 10 30 CDEEMP CC1=CC[N@H+](CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000262253550 330002893 /nfs/dbraw/zinc/00/28/93/330002893.db2.gz CHCSYGIOSCUDIQ-UHFFFAOYSA-N 2 1 268.430 1.002 10 30 CDEEMP CC1=CC[N@@H+](CCNC(=[NH2+])N2CCSCC2)CC1 ZINC000262253550 330002894 /nfs/dbraw/zinc/00/28/94/330002894.db2.gz CHCSYGIOSCUDIQ-UHFFFAOYSA-N 2 1 268.430 1.002 10 30 CDEEMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001691454250 1159315126 /nfs/dbraw/zinc/31/51/26/1159315126.db2.gz BTDZWOLTVYBCMB-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001691473487 1159333602 /nfs/dbraw/zinc/33/36/02/1159333602.db2.gz PZGJGYZSLQUMTC-KFWWJZLASA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001698826770 1175952018 /nfs/dbraw/zinc/95/20/18/1175952018.db2.gz ILVIYMKOUFDGCS-QLFBSQMISA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699459345 1176424020 /nfs/dbraw/zinc/42/40/20/1176424020.db2.gz KHUPTARUARUFSZ-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001268751175 1160013674 /nfs/dbraw/zinc/01/36/74/1160013674.db2.gz RRKJKYAQJUDELE-AWEZNQCLSA-N 2 1 289.423 1.984 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001270721357 1160139701 /nfs/dbraw/zinc/13/97/01/1160139701.db2.gz XAERRJLLRXLVMD-ZDUSSCGKSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001733013293 1160433782 /nfs/dbraw/zinc/43/37/82/1160433782.db2.gz AXJJZGKVMSJUHO-XJKSGUPXSA-N 2 1 299.434 1.869 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC001483257600 1160883969 /nfs/dbraw/zinc/88/39/69/1160883969.db2.gz GQFQTMAIAKDYDJ-GOEBONIOSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483320223 1160899209 /nfs/dbraw/zinc/89/92/09/1160899209.db2.gz SNGZLNLUMZTHBC-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483320223 1160899219 /nfs/dbraw/zinc/89/92/19/1160899219.db2.gz SNGZLNLUMZTHBC-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483320223 1160899229 /nfs/dbraw/zinc/89/92/29/1160899229.db2.gz SNGZLNLUMZTHBC-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP CC1(C)COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609890 520504927 /nfs/dbraw/zinc/50/49/27/520504927.db2.gz BUUAIPFZQUBXHT-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP CC1(C)COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609890 520504930 /nfs/dbraw/zinc/50/49/30/520504930.db2.gz BUUAIPFZQUBXHT-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001714272353 1179057852 /nfs/dbraw/zinc/05/78/52/1179057852.db2.gz HYCOLEWDYMISDL-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CCCO1 ZINC000049609683 523203082 /nfs/dbraw/zinc/20/30/82/523203082.db2.gz FKYLJVDJUYZJLA-HNNXBMFYSA-N 2 1 276.355 1.747 10 30 CDEEMP CC[C@H]1C[N@H+](Cc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049609190 523291145 /nfs/dbraw/zinc/29/11/45/523291145.db2.gz OGZASKRFZHDLJV-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@H]1C[N@@H+](Cc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049609190 523291154 /nfs/dbraw/zinc/29/11/54/523291154.db2.gz OGZASKRFZHDLJV-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@H]1COCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609356 523332633 /nfs/dbraw/zinc/33/26/33/523332633.db2.gz XUFDYQGOXVVELU-INIZCTEOSA-N 2 1 288.391 1.486 10 30 CDEEMP CC[C@H]1COCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609356 523332642 /nfs/dbraw/zinc/33/26/42/523332642.db2.gz XUFDYQGOXVVELU-INIZCTEOSA-N 2 1 288.391 1.486 10 30 CDEEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cccc(C#CC[NH3+])c1 ZINC000049609845 523342396 /nfs/dbraw/zinc/34/23/96/523342396.db2.gz IEMAHSFRXKIKNA-YOEHRIQHSA-N 2 1 272.392 1.996 10 30 CDEEMP COc1ccc(Cn2cc[nH+]c2C)cc1C#CC[NH3+] ZINC000049610088 524262828 /nfs/dbraw/zinc/26/28/28/524262828.db2.gz ZOIUFPOCXNTROJ-UHFFFAOYSA-N 2 1 255.321 1.559 10 30 CDEEMP C=CCCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665764156 574425902 /nfs/dbraw/zinc/42/59/02/574425902.db2.gz WFEMCCMNNOENMI-ZDUSSCGKSA-N 2 1 270.421 1.134 10 30 CDEEMP C=CCCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665764156 574425903 /nfs/dbraw/zinc/42/59/03/574425903.db2.gz WFEMCCMNNOENMI-ZDUSSCGKSA-N 2 1 270.421 1.134 10 30 CDEEMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902782491 625374183 /nfs/dbraw/zinc/37/41/83/625374183.db2.gz IEBYMVYIXYUTPQ-LLVKDONJSA-N 2 1 255.325 1.809 10 30 CDEEMP N#CC1CCC(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000903454009 626001366 /nfs/dbraw/zinc/00/13/66/626001366.db2.gz RDRDJCGCZTWCCG-UYSNPLJNSA-N 2 1 276.428 1.296 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000909915032 628742389 /nfs/dbraw/zinc/74/23/89/628742389.db2.gz RZAIBEXSDTYQKT-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000911529829 629307616 /nfs/dbraw/zinc/30/76/16/629307616.db2.gz GEPMRSNMDDMQEW-GASCZTMLSA-N 2 1 297.443 1.062 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[N@@H+](CC)[C@@H](C)C1 ZINC000912023568 629739799 /nfs/dbraw/zinc/73/97/99/629739799.db2.gz DYBNGESLCIKWTD-BETUJISGSA-N 2 1 253.390 1.045 10 30 CDEEMP CCC[NH+]=C(NC[C@@H]1CCC[N@H+]1CCOC)NC(C)(C)C ZINC000912509344 630049383 /nfs/dbraw/zinc/04/93/83/630049383.db2.gz CVIJXGFCBSHSSB-AWEZNQCLSA-N 2 1 298.475 1.841 10 30 CDEEMP C=CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266896389 1158967391 /nfs/dbraw/zinc/96/73/91/1158967391.db2.gz AMHCLFTVWLTXQG-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001266896389 1158967395 /nfs/dbraw/zinc/96/73/95/1158967395.db2.gz AMHCLFTVWLTXQG-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001266896389 1158967399 /nfs/dbraw/zinc/96/73/99/1158967399.db2.gz AMHCLFTVWLTXQG-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266994321 1159073406 /nfs/dbraw/zinc/07/34/06/1159073406.db2.gz LEHISLAXPLZHFX-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001670544489 1158634294 /nfs/dbraw/zinc/63/42/94/1158634294.db2.gz MDRNIRCHFQXMTL-GOEBONIOSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001691208690 1158956432 /nfs/dbraw/zinc/95/64/32/1158956432.db2.gz GFPFWMHTYBYRAR-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001691208690 1158956436 /nfs/dbraw/zinc/95/64/36/1158956436.db2.gz GFPFWMHTYBYRAR-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC001670864083 1160967268 /nfs/dbraw/zinc/96/72/68/1160967268.db2.gz MHLAAMIDWAAZEG-UHFFFAOYSA-N 2 1 288.395 1.268 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)CC[N@H+](C)CC)C(C)C ZINC001568466914 1169302249 /nfs/dbraw/zinc/30/22/49/1169302249.db2.gz JJLNGGNJWDKFQY-AWEZNQCLSA-N 2 1 267.417 1.082 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568850366 1169518583 /nfs/dbraw/zinc/51/85/83/1169518583.db2.gz KROIICRXDCDWMR-NNTXTVRGSA-N 2 1 299.846 1.874 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001570018355 1170059713 /nfs/dbraw/zinc/05/97/13/1170059713.db2.gz CREYSTQDGMGZMQ-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001571650448 1170509082 /nfs/dbraw/zinc/50/90/82/1170509082.db2.gz SJFXXRUCIYNNTN-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001661077657 1172331153 /nfs/dbraw/zinc/33/11/53/1172331153.db2.gz FXUXJNGKSJOJPS-HNNXBMFYSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C/Cl ZINC001668454768 1173414861 /nfs/dbraw/zinc/41/48/61/1173414861.db2.gz COKBZURUNIOBFS-OWNNVSBGSA-N 2 1 297.830 1.275 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668904287 1173478228 /nfs/dbraw/zinc/47/82/28/1173478228.db2.gz ALTPIBWIFZCMDI-OGZRUICASA-N 2 1 293.455 1.945 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001676068770 1174178099 /nfs/dbraw/zinc/17/80/99/1174178099.db2.gz JDUDXFQOBGVXDG-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001676068770 1174178103 /nfs/dbraw/zinc/17/81/03/1174178103.db2.gz JDUDXFQOBGVXDG-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001676068770 1174178106 /nfs/dbraw/zinc/17/81/06/1174178106.db2.gz JDUDXFQOBGVXDG-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(=C)C)C1 ZINC001690341510 1175443747 /nfs/dbraw/zinc/44/37/47/1175443747.db2.gz QWCWCIWVGJFTAR-XHSDSOJGSA-N 2 1 289.423 1.287 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(=C)C)C1 ZINC001690341510 1175443750 /nfs/dbraw/zinc/44/37/50/1175443750.db2.gz QWCWCIWVGJFTAR-XHSDSOJGSA-N 2 1 289.423 1.287 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CCCC1 ZINC001698626756 1175878356 /nfs/dbraw/zinc/87/83/56/1175878356.db2.gz NSXBWOYIIDLQTK-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001698769309 1175924757 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CDEEMP C=CC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001701058233 1177257656 /nfs/dbraw/zinc/25/76/56/1177257656.db2.gz RZBHQNOWNYNRNG-UHFFFAOYSA-N 2 1 293.455 1.899 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001701058233 1177257663 /nfs/dbraw/zinc/25/76/63/1177257663.db2.gz RZBHQNOWNYNRNG-UHFFFAOYSA-N 2 1 293.455 1.899 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001701062560 1177262103 /nfs/dbraw/zinc/26/21/03/1177262103.db2.gz FWCFIGQGGUZVMZ-HUUCEWRRSA-N 2 1 291.439 1.794 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001707094159 1177950425 /nfs/dbraw/zinc/95/04/25/1177950425.db2.gz TWABETSMENIQDW-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713084394 1178354299 /nfs/dbraw/zinc/35/42/99/1178354299.db2.gz FHJYGNFMRRHODY-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713084394 1178354308 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C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713215887 1178439736 /nfs/dbraw/zinc/43/97/36/1178439736.db2.gz ULXZMYGVIMHXNI-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713292620 1178469144 /nfs/dbraw/zinc/46/91/44/1178469144.db2.gz MPRPWFZSSHIXNR-WLYUNCDWSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001713409353 1178544938 /nfs/dbraw/zinc/54/49/38/1178544938.db2.gz VRWSNAAIJCCGSC-CYBMUJFWSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713551698 1178641299 /nfs/dbraw/zinc/64/12/99/1178641299.db2.gz XAQFEGOWOIZJMV-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001713939581 1178865878 /nfs/dbraw/zinc/86/58/78/1178865878.db2.gz IZKACCUIFLVZMA-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001714048190 1178945875 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C=CC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714561272 1179217039 /nfs/dbraw/zinc/21/70/39/1179217039.db2.gz OVOGLNLSNGXFKX-OAHLLOKOSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714561272 1179217046 /nfs/dbraw/zinc/21/70/46/1179217046.db2.gz OVOGLNLSNGXFKX-OAHLLOKOSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714652072 1179299308 /nfs/dbraw/zinc/29/93/08/1179299308.db2.gz ZVAHIHUWRIARSC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001714918736 1179451379 /nfs/dbraw/zinc/45/13/79/1179451379.db2.gz SIBURVZQUUWKBJ-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001714943175 1179470022 /nfs/dbraw/zinc/47/00/22/1179470022.db2.gz CPTGVEPBRKOYDG-RDJZCZTQSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001714967758 1179482647 /nfs/dbraw/zinc/48/26/47/1179482647.db2.gz WENQYOMTTAHFJH-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001715144344 1179564702 /nfs/dbraw/zinc/56/47/02/1179564702.db2.gz XWNHJKFSGWKZFN-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC(C)C ZINC001715980599 1179961626 /nfs/dbraw/zinc/96/16/26/1179961626.db2.gz BOBHIFPIUSQKBP-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC(C)C ZINC001715980599 1179961630 /nfs/dbraw/zinc/96/16/30/1179961630.db2.gz BOBHIFPIUSQKBP-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001715981118 1179962244 /nfs/dbraw/zinc/96/22/44/1179962244.db2.gz LLCGCDUKJHCBHZ-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001716671611 1180356129 /nfs/dbraw/zinc/35/61/29/1180356129.db2.gz QZVVHSVOWLBAPJ-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716671611 1180356137 /nfs/dbraw/zinc/35/61/37/1180356137.db2.gz QZVVHSVOWLBAPJ-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716671611 1180356143 /nfs/dbraw/zinc/35/61/43/1180356143.db2.gz QZVVHSVOWLBAPJ-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001716963054 1180483039 /nfs/dbraw/zinc/48/30/39/1180483039.db2.gz JEYAPQZYTBWARJ-CABCVRRESA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001717420257 1180663419 /nfs/dbraw/zinc/66/34/19/1180663419.db2.gz SEUNBNLQSBAZIR-QWHCGFSZSA-N 2 1 264.373 1.250 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717453081 1180678074 /nfs/dbraw/zinc/67/80/74/1180678074.db2.gz BZGIALJIWBIDKV-ZIAGYGMSSA-N 2 1 279.428 1.034 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001717648111 1180773084 /nfs/dbraw/zinc/77/30/84/1180773084.db2.gz PABUXPIMRDUVIS-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001717746841 1180824769 /nfs/dbraw/zinc/82/47/69/1180824769.db2.gz AHKFEGOMRUXWPP-AWEZNQCLSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001717886891 1180913785 /nfs/dbraw/zinc/91/37/85/1180913785.db2.gz IUCWEQYYKPOGMQ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001723035859 1181511689 /nfs/dbraw/zinc/51/16/89/1181511689.db2.gz CHZLKFAIWOYWPD-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+](C)CCC)CC1 ZINC001724614195 1181705036 /nfs/dbraw/zinc/70/50/36/1181705036.db2.gz ORRGEIPBWYKZAO-WKILWMFISA-N 2 1 293.455 1.474 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001725111621 1181867514 /nfs/dbraw/zinc/86/75/14/1181867514.db2.gz UMTBRZIGDMUEQR-UONOGXRCSA-N 2 1 290.411 1.513 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001725420536 1181994328 /nfs/dbraw/zinc/99/43/28/1181994328.db2.gz OCRXGPIBWYYXRC-OAHLLOKOSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001725735975 1182116934 /nfs/dbraw/zinc/11/69/34/1182116934.db2.gz LKRZSTMLOSACTC-KBPBESRZSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001731508855 1182427656 /nfs/dbraw/zinc/42/76/56/1182427656.db2.gz QRSAZPCPMMFHNC-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001731508855 1182427658 /nfs/dbraw/zinc/42/76/58/1182427658.db2.gz QRSAZPCPMMFHNC-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001731508855 1182427663 /nfs/dbraw/zinc/42/76/63/1182427663.db2.gz QRSAZPCPMMFHNC-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+](C)C)C1 ZINC001731558445 1182447845 /nfs/dbraw/zinc/44/78/45/1182447845.db2.gz KHSIZNXFDQCAKD-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732524427 1182996336 /nfs/dbraw/zinc/99/63/36/1182996336.db2.gz BUEYWTCIJFUHKL-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001734058335 1183640870 /nfs/dbraw/zinc/64/08/70/1183640870.db2.gz NFUPPRVCPCDHSI-OAHLLOKOSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001734067434 1183646217 /nfs/dbraw/zinc/64/62/17/1183646217.db2.gz ZKANCQSMUATLAQ-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001734067434 1183646221 /nfs/dbraw/zinc/64/62/21/1183646221.db2.gz ZKANCQSMUATLAQ-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001734067434 1183646215 /nfs/dbraw/zinc/64/62/15/1183646215.db2.gz ZKANCQSMUATLAQ-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C[N@H+]1C[C@@H]2CN(Cc3cccc(C#N)c3)C[C@]2(C)C1 ZINC000702376443 770807037 /nfs/dbraw/zinc/80/70/37/770807037.db2.gz TULMCLUBTUJVTG-CVEARBPZSA-N 2 1 255.365 1.942 10 30 CDEEMP C#CCNC(=O)CCNC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235038 771561068 /nfs/dbraw/zinc/56/10/68/771561068.db2.gz BTECFOZABCELLA-INIZCTEOSA-N 2 1 291.439 1.513 10 30 CDEEMP C#CCNC(=O)CCNC[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235038 771561076 /nfs/dbraw/zinc/56/10/76/771561076.db2.gz BTECFOZABCELLA-INIZCTEOSA-N 2 1 291.439 1.513 10 30 CDEEMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000872235038 771561083 /nfs/dbraw/zinc/56/10/83/771561083.db2.gz BTECFOZABCELLA-INIZCTEOSA-N 2 1 291.439 1.513 10 30 CDEEMP C#CCNC(=O)CC[NH2+]C[C@@H]1CC[N@H+]1C1CCCCCC1 ZINC000872235038 771561089 /nfs/dbraw/zinc/56/10/89/771561089.db2.gz BTECFOZABCELLA-INIZCTEOSA-N 2 1 291.439 1.513 10 30 CDEEMP C=CC[C@H](C(=O)OC)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000877968672 773063502 /nfs/dbraw/zinc/06/35/02/773063502.db2.gz PWLSMKGYIKDTOQ-OAHLLOKOSA-N 2 1 280.412 1.912 10 30 CDEEMP C#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001566005235 1168212047 /nfs/dbraw/zinc/21/20/47/1168212047.db2.gz PIHWBVYGRBTTSL-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001566074891 1168227029 /nfs/dbraw/zinc/22/70/29/1168227029.db2.gz CWTOSXRSXVUGJQ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001566712540 1168397115 /nfs/dbraw/zinc/39/71/15/1168397115.db2.gz LRCTVBIDYPVNNH-ARFHVFGLSA-N 2 1 293.455 1.777 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001272331753 912814306 /nfs/dbraw/zinc/81/43/06/912814306.db2.gz KGUDXRGYLFXBIW-LSDHHAIUSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567188295 1168611831 /nfs/dbraw/zinc/61/18/31/1168611831.db2.gz KQCRQNODNSNECG-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567188295 1168611836 /nfs/dbraw/zinc/61/18/36/1168611836.db2.gz KQCRQNODNSNECG-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001567188295 1168611841 /nfs/dbraw/zinc/61/18/41/1168611841.db2.gz KQCRQNODNSNECG-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC001280545979 913404304 /nfs/dbraw/zinc/40/43/04/913404304.db2.gz SWJCNQVCJWLJOT-INIZCTEOSA-N 2 1 299.418 1.551 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266323296 894389451 /nfs/dbraw/zinc/38/94/51/894389451.db2.gz YTKBCSTXKLNYPC-UONOGXRCSA-N 2 1 285.407 1.433 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001480873159 894826719 /nfs/dbraw/zinc/82/67/19/894826719.db2.gz AQJKLQJFDSTRGV-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001266440023 894905917 /nfs/dbraw/zinc/90/59/17/894905917.db2.gz CUVRXGCHIZDRIY-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001266468471 894996885 /nfs/dbraw/zinc/99/68/85/894996885.db2.gz QUVSGSABDQHJHP-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266468471 894996888 /nfs/dbraw/zinc/99/68/88/894996888.db2.gz QUVSGSABDQHJHP-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001266468471 894996898 /nfs/dbraw/zinc/99/68/98/894996898.db2.gz QUVSGSABDQHJHP-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266579355 895432048 /nfs/dbraw/zinc/43/20/48/895432048.db2.gz OUXABPDVHWAVOK-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266579355 895432053 /nfs/dbraw/zinc/43/20/53/895432053.db2.gz OUXABPDVHWAVOK-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001266579355 895432058 /nfs/dbraw/zinc/43/20/58/895432058.db2.gz OUXABPDVHWAVOK-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001266853298 896194666 /nfs/dbraw/zinc/19/46/66/896194666.db2.gz JOOIJNVHJSLHSX-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267169790 896992188 /nfs/dbraw/zinc/99/21/88/896992188.db2.gz XGZXMKKORPDWBX-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001267279916 897454257 /nfs/dbraw/zinc/45/42/57/897454257.db2.gz NKTMLDHSTHPARE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001267279916 897454269 /nfs/dbraw/zinc/45/42/69/897454269.db2.gz NKTMLDHSTHPARE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001267279916 897454278 /nfs/dbraw/zinc/45/42/78/897454278.db2.gz NKTMLDHSTHPARE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001267419630 897879552 /nfs/dbraw/zinc/87/95/52/897879552.db2.gz PLXTZMQXOBALKL-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267535865 898279178 /nfs/dbraw/zinc/27/91/78/898279178.db2.gz HIVRGPVUKGCOCL-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267578970 898510612 /nfs/dbraw/zinc/51/06/12/898510612.db2.gz ASUQCLUTIUBGFV-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267578970 898510617 /nfs/dbraw/zinc/51/06/17/898510617.db2.gz ASUQCLUTIUBGFV-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267578970 898510621 /nfs/dbraw/zinc/51/06/21/898510621.db2.gz ASUQCLUTIUBGFV-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)C[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001267718365 899369854 /nfs/dbraw/zinc/36/98/54/899369854.db2.gz HYKKSCCTYQFKQR-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001267718365 899369867 /nfs/dbraw/zinc/36/98/67/899369867.db2.gz HYKKSCCTYQFKQR-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001267718365 899369879 /nfs/dbraw/zinc/36/98/79/899369879.db2.gz HYKKSCCTYQFKQR-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001267864624 899902024 /nfs/dbraw/zinc/90/20/24/899902024.db2.gz HQDSANQKGGUHAS-INIZCTEOSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC)C1 ZINC001267885898 899940695 /nfs/dbraw/zinc/94/06/95/899940695.db2.gz COGJNFGVBDHLCA-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC)C1 ZINC001267885898 899940703 /nfs/dbraw/zinc/94/07/03/899940703.db2.gz COGJNFGVBDHLCA-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001267923980 899979128 /nfs/dbraw/zinc/97/91/28/899979128.db2.gz CYLBVRAIPOBUKZ-SHTZXODSSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001481332245 900434791 /nfs/dbraw/zinc/43/47/91/900434791.db2.gz BQTUEWDHUFTZKP-AWEZNQCLSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001481741073 901988502 /nfs/dbraw/zinc/98/85/02/901988502.db2.gz VYVWDSFPMALNSU-LSDHHAIUSA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001269187516 903522324 /nfs/dbraw/zinc/52/23/24/903522324.db2.gz RLVXSSQVCKLOQX-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001269293723 903667557 /nfs/dbraw/zinc/66/75/57/903667557.db2.gz ZNUXPVMUZQRXQR-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001269293723 903667566 /nfs/dbraw/zinc/66/75/66/903667566.db2.gz ZNUXPVMUZQRXQR-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001269293723 903667574 /nfs/dbraw/zinc/66/75/74/903667574.db2.gz ZNUXPVMUZQRXQR-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001269477742 903845173 /nfs/dbraw/zinc/84/51/73/903845173.db2.gz SBAKIPIEKGJEDS-AWEZNQCLSA-N 2 1 290.411 1.514 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567832485 1169005717 /nfs/dbraw/zinc/00/57/17/1169005717.db2.gz QEEAAWPMJCJSDA-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCOCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001482607119 907877257 /nfs/dbraw/zinc/87/72/57/907877257.db2.gz GJQURUDAJJFSSR-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001482607119 907877271 /nfs/dbraw/zinc/87/72/71/907877271.db2.gz GJQURUDAJJFSSR-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCOCC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001482607119 907877280 /nfs/dbraw/zinc/87/72/80/907877280.db2.gz GJQURUDAJJFSSR-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483050560 909047272 /nfs/dbraw/zinc/04/72/72/909047272.db2.gz IRPBNLXSWKMORQ-KXLSMFKISA-N 2 1 277.412 1.002 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001483050437 909048152 /nfs/dbraw/zinc/04/81/52/909048152.db2.gz WJCYYAFHRBVQNY-MWWKQMNYSA-N 2 1 291.439 1.394 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001483571353 911280621 /nfs/dbraw/zinc/28/06/21/911280621.db2.gz QDFWMFUODOAZBX-AWEZNQCLSA-N 2 1 292.383 1.020 10 30 CDEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001484094370 915427890 /nfs/dbraw/zinc/42/78/90/915427890.db2.gz OPJUFOGXACQZHF-WBVHZDCISA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466504 915794647 /nfs/dbraw/zinc/79/46/47/915794647.db2.gz UKRLPYGKSNVISL-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001484466504 915794650 /nfs/dbraw/zinc/79/46/50/915794650.db2.gz UKRLPYGKSNVISL-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001484746807 916115599 /nfs/dbraw/zinc/11/55/99/916115599.db2.gz HNWUTWOUYOIUHD-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001484746807 916115609 /nfs/dbraw/zinc/11/56/09/916115609.db2.gz HNWUTWOUYOIUHD-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001484746807 916115616 /nfs/dbraw/zinc/11/56/16/916115616.db2.gz HNWUTWOUYOIUHD-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001484988311 916346341 /nfs/dbraw/zinc/34/63/41/916346341.db2.gz SXVBZMDVYSCJOV-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001485059386 916458994 /nfs/dbraw/zinc/45/89/94/916458994.db2.gz GDUMHORTGSVXEY-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001485059386 916459003 /nfs/dbraw/zinc/45/90/03/916459003.db2.gz GDUMHORTGSVXEY-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001485059386 916459009 /nfs/dbraw/zinc/45/90/09/916459009.db2.gz GDUMHORTGSVXEY-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001485102653 916501186 /nfs/dbraw/zinc/50/11/86/916501186.db2.gz NAUUDNMQQITDBF-WLYUNCDWSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001485240290 916699077 /nfs/dbraw/zinc/69/90/77/916699077.db2.gz XATDGTGXRGTVPP-UYSNPLJNSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC2CC2)CC1 ZINC001485388658 916936645 /nfs/dbraw/zinc/93/66/45/916936645.db2.gz OLNHUVILBLEZOV-AWEZNQCLSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001485583492 917110367 /nfs/dbraw/zinc/11/03/67/917110367.db2.gz BMGMVGAUJDMUFP-CQSZACIVSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001485583492 917110374 /nfs/dbraw/zinc/11/03/74/917110374.db2.gz BMGMVGAUJDMUFP-CQSZACIVSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001485583492 917110377 /nfs/dbraw/zinc/11/03/77/917110377.db2.gz BMGMVGAUJDMUFP-CQSZACIVSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272865134 919926810 /nfs/dbraw/zinc/92/68/10/919926810.db2.gz JWCBRTLCFYKFCW-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181545 920786593 /nfs/dbraw/zinc/78/65/93/920786593.db2.gz UMOHZQSUIATOPN-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001486373907 920955512 /nfs/dbraw/zinc/95/55/12/920955512.db2.gz GMJBFWNDZNKFLM-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001486373907 920955527 /nfs/dbraw/zinc/95/55/27/920955527.db2.gz GMJBFWNDZNKFLM-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001486373907 920955535 /nfs/dbraw/zinc/95/55/35/920955535.db2.gz GMJBFWNDZNKFLM-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001486373907 920955547 /nfs/dbraw/zinc/95/55/47/920955547.db2.gz GMJBFWNDZNKFLM-INIZCTEOSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001491069240 936850595 /nfs/dbraw/zinc/85/05/95/936850595.db2.gz GGGLWUMRZZNXDO-FPCVCCKLSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001491160943 936867358 /nfs/dbraw/zinc/86/73/58/936867358.db2.gz OTQLETBTMUVNSK-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001490221860 927036702 /nfs/dbraw/zinc/03/67/02/927036702.db2.gz HXMPUIYUCWVWAV-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001490250176 927051181 /nfs/dbraw/zinc/05/11/81/927051181.db2.gz DVLIMXAQANYNBN-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001490250176 927051198 /nfs/dbraw/zinc/05/11/98/927051198.db2.gz DVLIMXAQANYNBN-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001490250176 927051211 /nfs/dbraw/zinc/05/12/11/927051211.db2.gz DVLIMXAQANYNBN-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001490560513 927228751 /nfs/dbraw/zinc/22/87/51/927228751.db2.gz GXMREDFKGJIDFJ-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP CC(C)C#CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346115 928399034 /nfs/dbraw/zinc/39/90/34/928399034.db2.gz OVLKDMYQXXTNIZ-AWEZNQCLSA-N 2 1 267.417 1.034 10 30 CDEEMP CC(C)C#CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855346115 928399042 /nfs/dbraw/zinc/39/90/42/928399042.db2.gz OVLKDMYQXXTNIZ-AWEZNQCLSA-N 2 1 267.417 1.034 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001568498849 1169329950 /nfs/dbraw/zinc/32/99/50/1169329950.db2.gz SEVAEIRBHOFWLG-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001568498849 1169329961 /nfs/dbraw/zinc/32/99/61/1169329961.db2.gz SEVAEIRBHOFWLG-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568498849 1169329967 /nfs/dbraw/zinc/32/99/67/1169329967.db2.gz SEVAEIRBHOFWLG-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001568498849 1169329979 /nfs/dbraw/zinc/32/99/79/1169329979.db2.gz SEVAEIRBHOFWLG-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274153734 931206752 /nfs/dbraw/zinc/20/67/52/931206752.db2.gz MHYKPMAKEVAMDR-WLMCBFPDSA-N 2 1 291.439 1.392 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001275143814 931678798 /nfs/dbraw/zinc/67/87/98/931678798.db2.gz QYSYEWSDACDIAX-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001275143814 931678800 /nfs/dbraw/zinc/67/88/00/931678800.db2.gz QYSYEWSDACDIAX-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001275143814 931678805 /nfs/dbraw/zinc/67/88/05/931678805.db2.gz QYSYEWSDACDIAX-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001275156324 931682715 /nfs/dbraw/zinc/68/27/15/931682715.db2.gz BDTIEMUPNVULCF-MELADBBJSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001276190493 932625405 /nfs/dbraw/zinc/62/54/05/932625405.db2.gz QOYICMFLNLRWAN-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001568751096 1169463367 /nfs/dbraw/zinc/46/33/67/1169463367.db2.gz HUCQHUMZLCBSQJ-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001279577569 942395700 /nfs/dbraw/zinc/39/57/00/942395700.db2.gz TYMATQVNAFBWJP-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001281475111 942581943 /nfs/dbraw/zinc/58/19/43/942581943.db2.gz GLEOWRVFNRZBET-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001282013945 942644776 /nfs/dbraw/zinc/64/47/76/942644776.db2.gz OYAUTCOZDDNLHW-NRXISQOPSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283296473 942873426 /nfs/dbraw/zinc/87/34/26/942873426.db2.gz JOHCOGAMMBWDAD-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001283296473 942873430 /nfs/dbraw/zinc/87/34/30/942873430.db2.gz JOHCOGAMMBWDAD-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001283296473 942873432 /nfs/dbraw/zinc/87/34/32/942873432.db2.gz JOHCOGAMMBWDAD-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C ZINC001284653827 943233934 /nfs/dbraw/zinc/23/39/34/943233934.db2.gz VNTICSZSWNKGAG-CYBMUJFWSA-N 2 1 269.433 1.633 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001277777250 943510391 /nfs/dbraw/zinc/51/03/91/943510391.db2.gz WBCLWMAPRLTIMK-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)CC ZINC001264004742 944060931 /nfs/dbraw/zinc/06/09/31/944060931.db2.gz CEQPUUVHDIVOIT-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C)CC1 ZINC001264370757 944113669 /nfs/dbraw/zinc/11/36/69/944113669.db2.gz JOXAAOQJHUFXIZ-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001264380517 944118650 /nfs/dbraw/zinc/11/86/50/944118650.db2.gz KXGOKURQBORMDI-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+]1CCCCC1 ZINC001264380517 944118654 /nfs/dbraw/zinc/11/86/54/944118654.db2.gz KXGOKURQBORMDI-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001265030882 944207558 /nfs/dbraw/zinc/20/75/58/944207558.db2.gz NTUZGZLUCOHPFD-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265655968 944459025 /nfs/dbraw/zinc/45/90/25/944459025.db2.gz SUDGAQYZWWPKCE-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655968 944459027 /nfs/dbraw/zinc/45/90/27/944459027.db2.gz SUDGAQYZWWPKCE-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655968 944459030 /nfs/dbraw/zinc/45/90/30/944459030.db2.gz SUDGAQYZWWPKCE-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001265793782 944511238 /nfs/dbraw/zinc/51/12/38/944511238.db2.gz AIWOJTSCCWCXPN-LBPRGKRZSA-N 2 1 294.399 1.410 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001265907713 944567143 /nfs/dbraw/zinc/56/71/43/944567143.db2.gz AEUDNUCMXAUOLH-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001265907713 944567149 /nfs/dbraw/zinc/56/71/49/944567149.db2.gz AEUDNUCMXAUOLH-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001265907713 944567153 /nfs/dbraw/zinc/56/71/53/944567153.db2.gz AEUDNUCMXAUOLH-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001266008471 944625940 /nfs/dbraw/zinc/62/59/40/944625940.db2.gz FCWATSVHDVAYQL-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266054132 944657730 /nfs/dbraw/zinc/65/77/30/944657730.db2.gz JOHPQWKJJBNOIU-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266054132 944657734 /nfs/dbraw/zinc/65/77/34/944657734.db2.gz JOHPQWKJJBNOIU-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266054132 944657739 /nfs/dbraw/zinc/65/77/39/944657739.db2.gz JOHPQWKJJBNOIU-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001266151966 944717944 /nfs/dbraw/zinc/71/79/44/944717944.db2.gz JJHGNKTZWBRWGZ-NSDHSQQOSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/Cl ZINC001266151966 944717945 /nfs/dbraw/zinc/71/79/45/944717945.db2.gz JJHGNKTZWBRWGZ-NSDHSQQOSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001266222245 944769808 /nfs/dbraw/zinc/76/98/08/944769808.db2.gz QLPXXNYBTRZKGW-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266222245 944769814 /nfs/dbraw/zinc/76/98/14/944769814.db2.gz QLPXXNYBTRZKGW-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266222245 944769820 /nfs/dbraw/zinc/76/98/20/944769820.db2.gz QLPXXNYBTRZKGW-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266222245 944769826 /nfs/dbraw/zinc/76/98/26/944769826.db2.gz QLPXXNYBTRZKGW-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cnc[nH]1 ZINC001479248460 971273425 /nfs/dbraw/zinc/27/34/25/971273425.db2.gz ARRGANAZWYVUTP-CQSZACIVSA-N 2 1 276.384 1.451 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001568958172 1169565010 /nfs/dbraw/zinc/56/50/10/1169565010.db2.gz LDIOHQIOZRHMNH-CWDCEQMOSA-N 2 1 277.412 1.310 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001479724508 971385011 /nfs/dbraw/zinc/38/50/11/971385011.db2.gz OBVIKKSQVOVHPK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001479724508 971385015 /nfs/dbraw/zinc/38/50/15/971385015.db2.gz OBVIKKSQVOVHPK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001479724508 971385022 /nfs/dbraw/zinc/38/50/22/971385022.db2.gz OBVIKKSQVOVHPK-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001479915225 971485593 /nfs/dbraw/zinc/48/55/93/971485593.db2.gz OBZXMDQEDBYDEW-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001278532437 949768893 /nfs/dbraw/zinc/76/88/93/949768893.db2.gz DGBNSMAZAKTRKK-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001278532437 949768908 /nfs/dbraw/zinc/76/89/08/949768908.db2.gz DGBNSMAZAKTRKK-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP 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ZINC001500402778 974431772 /nfs/dbraw/zinc/43/17/72/974431772.db2.gz ZPUCBQCZXMPWNE-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501090507 974531787 /nfs/dbraw/zinc/53/17/87/974531787.db2.gz DPDFSARNHQDTDH-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001501617846 974608573 /nfs/dbraw/zinc/60/85/73/974608573.db2.gz GAIQSGMDRVFNMV-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501647203 974616781 /nfs/dbraw/zinc/61/67/81/974616781.db2.gz DOMJDCYEYHHXTQ-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505920696 975044370 /nfs/dbraw/zinc/04/43/70/975044370.db2.gz RSLMMJVCVKWEAW-GOEBONIOSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001506906007 975253475 /nfs/dbraw/zinc/25/34/75/975253475.db2.gz FPLANOYDIWRTJG-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001507327264 975417380 /nfs/dbraw/zinc/41/73/80/975417380.db2.gz IRFKUMRYLDORFH-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001406076919 976008802 /nfs/dbraw/zinc/00/88/02/976008802.db2.gz VOOZZZGTNIFQGE-OLZOCXBDSA-N 2 1 287.835 1.421 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001675263614 1174089709 /nfs/dbraw/zinc/08/97/09/1174089709.db2.gz VZJJENIDFPQZMV-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001676813613 1174276577 /nfs/dbraw/zinc/27/65/77/1174276577.db2.gz BAFXJEYANWIIMD-SQWLQELKSA-N 2 1 277.412 1.073 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001676872702 1174284754 /nfs/dbraw/zinc/28/47/54/1174284754.db2.gz KZALGXXNQLYUOG-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001570374670 1170146786 /nfs/dbraw/zinc/14/67/86/1170146786.db2.gz WGLVZLRMBWGTCV-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001570543310 1170186193 /nfs/dbraw/zinc/18/61/93/1170186193.db2.gz GFBJBPDRIDPEIW-CABCVRRESA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571324505 1170366388 /nfs/dbraw/zinc/36/63/88/1170366388.db2.gz HNQQAQCCMONSBL-STQMWFEESA-N 2 1 287.835 1.565 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CCC1 ZINC001673202390 1171683031 /nfs/dbraw/zinc/68/30/31/1171683031.db2.gz WYEVEKHUALPCDS-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C[NH2+]CCOCC[N@@H+](C)CCc1ccc(C#N)cc1 ZINC000600724500 349876888 /nfs/dbraw/zinc/87/68/88/349876888.db2.gz AEHCOEHKSSPEHE-UHFFFAOYSA-N 2 1 261.369 1.269 10 30 CDEEMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136868 198176803 /nfs/dbraw/zinc/17/68/03/198176803.db2.gz LYVICXREXUYNCO-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136868 198176805 /nfs/dbraw/zinc/17/68/05/198176805.db2.gz LYVICXREXUYNCO-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136868 198176806 /nfs/dbraw/zinc/17/68/06/198176806.db2.gz LYVICXREXUYNCO-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136868 198176807 /nfs/dbraw/zinc/17/68/07/198176807.db2.gz LYVICXREXUYNCO-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660330709 1172197871 /nfs/dbraw/zinc/19/78/71/1172197871.db2.gz WHOHLMUZMMYQIU-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001660330709 1172197879 /nfs/dbraw/zinc/19/78/79/1172197879.db2.gz WHOHLMUZMMYQIU-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001660330709 1172197869 /nfs/dbraw/zinc/19/78/69/1172197869.db2.gz WHOHLMUZMMYQIU-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001661753573 1172440605 /nfs/dbraw/zinc/44/06/05/1172440605.db2.gz YHNFRJJLHNYBMA-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)n2c1 ZINC000123276767 374094589 /nfs/dbraw/zinc/09/45/89/374094589.db2.gz JNTBRMRFNNYCGY-AWEZNQCLSA-N 2 1 295.390 1.780 10 30 CDEEMP N#Cc1ccc2ncc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)n2c1 ZINC000123276767 374094593 /nfs/dbraw/zinc/09/45/93/374094593.db2.gz JNTBRMRFNNYCGY-AWEZNQCLSA-N 2 1 295.390 1.780 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661871741 1172459515 /nfs/dbraw/zinc/45/95/15/1172459515.db2.gz YOIBXQHADQOQAZ-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661871741 1172459520 /nfs/dbraw/zinc/45/95/20/1172459520.db2.gz YOIBXQHADQOQAZ-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000195516116 376002133 /nfs/dbraw/zinc/00/21/33/376002133.db2.gz DPHPDNCTERRXAA-CQSZACIVSA-N 2 1 288.395 1.426 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001663014558 1172628734 /nfs/dbraw/zinc/62/87/34/1172628734.db2.gz YVXRXDCMGORFCK-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP COC[C@H]1CC[N@@H+](Cc2cc(C#CC[NH3+])ccc2OC)C1 ZINC000081111055 177772304 /nfs/dbraw/zinc/77/23/04/177772304.db2.gz MLCOCYVIKDMKPK-HNNXBMFYSA-N 2 1 288.391 1.474 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001663680128 1172746706 /nfs/dbraw/zinc/74/67/06/1172746706.db2.gz XLEQVWWLXJCOJS-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](CC)C2)CCC[NH2+]1 ZINC000662681538 413304760 /nfs/dbraw/zinc/30/47/60/413304760.db2.gz HIXHWKGFTOKGCI-UKRRQHHQSA-N 2 1 265.401 1.143 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001665357994 1172985558 /nfs/dbraw/zinc/98/55/58/1172985558.db2.gz GQMJNSMXRSHWPA-CYBMUJFWSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001665787790 1173060494 /nfs/dbraw/zinc/06/04/94/1173060494.db2.gz JSZJYRSUZIZXEE-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP CCC[N@H+](CC(=O)NCCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748590 174393489 /nfs/dbraw/zinc/39/34/89/174393489.db2.gz DUJXMVNPSBUYNU-PBWFPOADSA-N 2 1 278.400 1.011 10 30 CDEEMP CCC[N@@H+](CC(=O)NCCC#N)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040748590 174393490 /nfs/dbraw/zinc/39/34/90/174393490.db2.gz DUJXMVNPSBUYNU-PBWFPOADSA-N 2 1 278.400 1.011 10 30 CDEEMP NC(=O)C[N@@H+](Cc1sccc1C#CC[NH3+])C1CCCC1 ZINC000043684135 175092548 /nfs/dbraw/zinc/09/25/48/175092548.db2.gz DNYFPZLWXCCZFZ-UHFFFAOYSA-N 2 1 291.420 1.288 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CCCO)C[C@H]1CC[NH+](C)C1 ZINC000071190489 176066805 /nfs/dbraw/zinc/06/68/05/176066805.db2.gz RLLBEGIYFXNKQF-INIZCTEOSA-N 2 1 286.419 1.804 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CCCO)C[C@H]1CC[NH+](C)C1 ZINC000071190489 176066806 /nfs/dbraw/zinc/06/68/06/176066806.db2.gz RLLBEGIYFXNKQF-INIZCTEOSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccccc1C#CCCO)C[C@H]1CC[N@H+](C)C1 ZINC000071190489 176066807 /nfs/dbraw/zinc/06/68/07/176066807.db2.gz RLLBEGIYFXNKQF-INIZCTEOSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccccc1C#CCCO)C[C@H]1CC[N@@H+](C)C1 ZINC000071190489 176066808 /nfs/dbraw/zinc/06/68/08/176066808.db2.gz RLLBEGIYFXNKQF-INIZCTEOSA-N 2 1 286.419 1.804 10 30 CDEEMP CC(C)N[C@@H](C#N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190730 176067575 /nfs/dbraw/zinc/06/75/75/176067575.db2.gz VPKPZTOLQCIUIP-ZIAGYGMSSA-N 2 1 252.406 1.150 10 30 CDEEMP CC(C)N[C@@H](C#N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190730 176067576 /nfs/dbraw/zinc/06/75/76/176067576.db2.gz VPKPZTOLQCIUIP-ZIAGYGMSSA-N 2 1 252.406 1.150 10 30 CDEEMP CC(C)N[C@@H](C#N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190730 176067577 /nfs/dbraw/zinc/06/75/77/176067577.db2.gz VPKPZTOLQCIUIP-ZIAGYGMSSA-N 2 1 252.406 1.150 10 30 CDEEMP CC(C)N[C@@H](C#N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190730 176067579 /nfs/dbraw/zinc/06/75/79/176067579.db2.gz VPKPZTOLQCIUIP-ZIAGYGMSSA-N 2 1 252.406 1.150 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001665909712 1173083969 /nfs/dbraw/zinc/08/39/69/1173083969.db2.gz DJDHKTJPNUIDRU-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001666553049 1173150732 /nfs/dbraw/zinc/15/07/32/1173150732.db2.gz NUVZSSOCISNNJO-MELADBBJSA-N 2 1 267.417 1.245 10 30 CDEEMP CO[C@@H]1CCC[NH+](CC#CC[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000341878431 263362078 /nfs/dbraw/zinc/36/20/78/263362078.db2.gz UKKRVOSORZZIEO-HZPDHXFCSA-N 2 1 280.412 1.211 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001667695214 1173312471 /nfs/dbraw/zinc/31/24/71/1173312471.db2.gz VLICFXAGIUVJPF-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667695214 1173312479 /nfs/dbraw/zinc/31/24/79/1173312479.db2.gz VLICFXAGIUVJPF-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667695214 1173312485 /nfs/dbraw/zinc/31/24/85/1173312485.db2.gz VLICFXAGIUVJPF-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001667764497 1173322571 /nfs/dbraw/zinc/32/25/71/1173322571.db2.gz QHUQGBZKSLRGNG-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000262472919 330015919 /nfs/dbraw/zinc/01/59/19/330015919.db2.gz PHVQVHHDEOOEOK-LSDHHAIUSA-N 2 1 296.459 1.390 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001731833604 1159349608 /nfs/dbraw/zinc/34/96/08/1159349608.db2.gz HRZLBPFWJUXKSD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001700448665 1176934373 /nfs/dbraw/zinc/93/43/73/1176934373.db2.gz TYROHODMRJXZGE-CQSZACIVSA-N 2 1 281.444 1.588 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714561271 1179216635 /nfs/dbraw/zinc/21/66/35/1179216635.db2.gz OVOGLNLSNGXFKX-HNNXBMFYSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714561271 1179216640 /nfs/dbraw/zinc/21/66/40/1179216640.db2.gz OVOGLNLSNGXFKX-HNNXBMFYSA-N 2 1 285.407 1.433 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCCC[C@H]1CCO ZINC000049608677 527153013 /nfs/dbraw/zinc/15/30/13/527153013.db2.gz HGPHCKLEAAMKCF-KRWDZBQOSA-N 2 1 272.392 1.734 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894631654 618998282 /nfs/dbraw/zinc/99/82/82/618998282.db2.gz NFKJYXFOQYBIBP-KBPBESRZSA-N 2 1 284.375 1.165 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894631654 618998283 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/nfs/dbraw/zinc/98/21/45/1178982145.db2.gz DMSMYPGVOWCDSG-RDJZCZTQSA-N 2 1 293.455 1.923 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714152131 1178992198 /nfs/dbraw/zinc/99/21/98/1178992198.db2.gz ZCGRZPJHXGMAGG-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001714157571 1178994834 /nfs/dbraw/zinc/99/48/34/1178994834.db2.gz SZZAPJGXUMSVMG-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001714157571 1178994839 /nfs/dbraw/zinc/99/48/39/1178994839.db2.gz SZZAPJGXUMSVMG-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001714157571 1178994841 /nfs/dbraw/zinc/99/48/41/1178994841.db2.gz SZZAPJGXUMSVMG-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001714290334 1179068883 /nfs/dbraw/zinc/06/88/83/1179068883.db2.gz CUELHAQNEJTGOT-GOEBONIOSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)Cn1c[nH+]cc1C ZINC001714520014 1179178235 /nfs/dbraw/zinc/17/82/35/1179178235.db2.gz YDTCAIXSIBVWAX-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)Cn1c[nH+]cc1C ZINC001714520014 1179178237 /nfs/dbraw/zinc/17/82/37/1179178237.db2.gz YDTCAIXSIBVWAX-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001714561271 1179216627 /nfs/dbraw/zinc/21/66/27/1179216627.db2.gz OVOGLNLSNGXFKX-HNNXBMFYSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001714669246 1179312392 /nfs/dbraw/zinc/31/23/92/1179312392.db2.gz HCLZKLPAKGOJIM-UHFFFAOYSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001715066114 1179537284 /nfs/dbraw/zinc/53/72/84/1179537284.db2.gz TVPPMAXLOYQWBJ-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CN(CC)CCO1 ZINC001715537313 1179707324 /nfs/dbraw/zinc/70/73/24/1179707324.db2.gz QJGFBMMLOODXSK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001715537313 1179707329 /nfs/dbraw/zinc/70/73/29/1179707329.db2.gz QJGFBMMLOODXSK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001715537313 1179707333 /nfs/dbraw/zinc/70/73/33/1179707333.db2.gz QJGFBMMLOODXSK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001715537313 1179707339 /nfs/dbraw/zinc/70/73/39/1179707339.db2.gz QJGFBMMLOODXSK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001715537313 1179707345 /nfs/dbraw/zinc/70/73/45/1179707345.db2.gz QJGFBMMLOODXSK-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001715836753 1179859093 /nfs/dbraw/zinc/85/90/93/1179859093.db2.gz ZNRHGCCUKPPDQS-MSNYOWOLSA-N 2 1 291.439 1.841 10 30 CDEEMP C#CCC[NH+]1CCC(C)(NC(=O)CCc2cnc[nH]2)CC1 ZINC001716796393 1180418922 /nfs/dbraw/zinc/41/89/22/1180418922.db2.gz YTNMIXBFPGMQAJ-UHFFFAOYSA-N 2 1 288.395 1.336 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001717109410 1180533178 /nfs/dbraw/zinc/53/31/78/1180533178.db2.gz CVDSORURQHTIPE-UONOGXRCSA-N 2 1 299.846 1.519 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001717186832 1180564505 /nfs/dbraw/zinc/56/45/05/1180564505.db2.gz TZFCIKRVOYCYBW-OAHLLOKOSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001717199102 1180570275 /nfs/dbraw/zinc/57/02/75/1180570275.db2.gz FVGPQJZHXDXMTI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001717445056 1180676362 /nfs/dbraw/zinc/67/63/62/1180676362.db2.gz LKDSARXASNDSKQ-GPANFISMSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+](C)C ZINC001717538912 1180728171 /nfs/dbraw/zinc/72/81/71/1180728171.db2.gz OJWFCNVDMMJIDN-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001717729306 1180814418 /nfs/dbraw/zinc/81/44/18/1180814418.db2.gz ZYQFRAWQXXJGRU-LSDHHAIUSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001717843181 1180888498 /nfs/dbraw/zinc/88/84/98/1180888498.db2.gz WHOPXAFJRGGZHG-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001718033140 1180977665 /nfs/dbraw/zinc/97/76/65/1180977665.db2.gz AEMXMMFUKVFMQX-UHFFFAOYSA-N 2 1 265.401 1.261 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001718033140 1180977671 /nfs/dbraw/zinc/97/76/71/1180977671.db2.gz AEMXMMFUKVFMQX-UHFFFAOYSA-N 2 1 265.401 1.261 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC ZINC001723919242 1181622743 /nfs/dbraw/zinc/62/27/43/1181622743.db2.gz LNAJLAUVHGAGSI-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC ZINC001723919242 1181622744 /nfs/dbraw/zinc/62/27/44/1181622744.db2.gz LNAJLAUVHGAGSI-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC[NH+](CC)CC1 ZINC001724065303 1181632798 /nfs/dbraw/zinc/63/27/98/1181632798.db2.gz RWFWEOZAPFKLAS-UHFFFAOYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001724551318 1181694172 /nfs/dbraw/zinc/69/41/72/1181694172.db2.gz AKDRPINIMSMCPR-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001724962052 1181809169 /nfs/dbraw/zinc/80/91/69/1181809169.db2.gz QVKCEMXNEYBEKZ-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001725357052 1181970570 /nfs/dbraw/zinc/97/05/70/1181970570.db2.gz PFVQBVBDKZKHRN-FPCVCCKLSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001725356100 1181970790 /nfs/dbraw/zinc/97/07/90/1181970790.db2.gz ALNDRFHBSQRBBZ-KLHDSHLOSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC=C ZINC001725386744 1181983643 /nfs/dbraw/zinc/98/36/43/1181983643.db2.gz GBCNFJLYUBLPBS-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC=C ZINC001725386744 1181983646 /nfs/dbraw/zinc/98/36/46/1181983646.db2.gz GBCNFJLYUBLPBS-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C ZINC001725753139 1182121507 /nfs/dbraw/zinc/12/15/07/1182121507.db2.gz TTWSFZHOCMDIJU-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001731321466 1182317701 /nfs/dbraw/zinc/31/77/01/1182317701.db2.gz FQYBBYSCMFJFQS-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001731321466 1182317712 /nfs/dbraw/zinc/31/77/12/1182317712.db2.gz FQYBBYSCMFJFQS-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001731321466 1182317718 /nfs/dbraw/zinc/31/77/18/1182317718.db2.gz FQYBBYSCMFJFQS-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001731395132 1182358710 /nfs/dbraw/zinc/35/87/10/1182358710.db2.gz HXIWDDQLENUJHQ-CVEARBPZSA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731827086 1182612195 /nfs/dbraw/zinc/61/21/95/1182612195.db2.gz JUIFFKPXODGAJP-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731827086 1182612199 /nfs/dbraw/zinc/61/21/99/1182612199.db2.gz JUIFFKPXODGAJP-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731828826 1182614138 /nfs/dbraw/zinc/61/41/38/1182614138.db2.gz XVVHUPAVUYUHJH-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001731828826 1182614144 /nfs/dbraw/zinc/61/41/44/1182614144.db2.gz XVVHUPAVUYUHJH-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732164510 1182825606 /nfs/dbraw/zinc/82/56/06/1182825606.db2.gz CMOFDUIKKMPDOZ-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001732164510 1182825615 /nfs/dbraw/zinc/82/56/15/1182825615.db2.gz CMOFDUIKKMPDOZ-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001732572515 1183016256 /nfs/dbraw/zinc/01/62/56/1183016256.db2.gz SYFOBPBKRMNSLL-HOCLYGCPSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733219703 1183347132 /nfs/dbraw/zinc/34/71/32/1183347132.db2.gz PQDLGMSNTQFNEQ-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733219703 1183347133 /nfs/dbraw/zinc/34/71/33/1183347133.db2.gz PQDLGMSNTQFNEQ-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733219703 1183347134 /nfs/dbraw/zinc/34/71/34/1183347134.db2.gz PQDLGMSNTQFNEQ-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733563835 1183467137 /nfs/dbraw/zinc/46/71/37/1183467137.db2.gz CJKKBWMUYWGTOB-JYJNAYRXSA-N 2 1 291.439 1.226 10 30 CDEEMP CC#CC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001733695495 1183498000 /nfs/dbraw/zinc/49/80/00/1183498000.db2.gz FSLDVUSBHFYGTF-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001734451307 1183782409 /nfs/dbraw/zinc/78/24/09/1183782409.db2.gz WPJWCOLVZLSUBJ-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001734456421 1183783875 /nfs/dbraw/zinc/78/38/75/1183783875.db2.gz GCESASLUCBJRCL-UONOGXRCSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001734456421 1183783879 /nfs/dbraw/zinc/78/38/79/1183783879.db2.gz GCESASLUCBJRCL-UONOGXRCSA-N 2 1 277.412 1.073 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC001611392251 1165492985 /nfs/dbraw/zinc/49/29/85/1165492985.db2.gz LPZRDWJIGGPGFO-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCSCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261889093 774371256 /nfs/dbraw/zinc/37/12/56/774371256.db2.gz GGPFSYHQCGSFCQ-MJBXVCDLSA-N 2 1 270.442 1.652 10 30 CDEEMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852868201 774453534 /nfs/dbraw/zinc/45/35/34/774453534.db2.gz PSOXXRCVUPAHPG-MRXNPFEDSA-N 2 1 291.439 1.084 10 30 CDEEMP COCC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303975546 777219705 /nfs/dbraw/zinc/21/97/05/777219705.db2.gz JEOZPLBHXDUIJP-ZIAGYGMSSA-N 2 1 282.432 1.144 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](CCc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933734142 777238975 /nfs/dbraw/zinc/23/89/75/777238975.db2.gz MIXDSAQMAIPFBU-SJORKVTESA-N 2 1 269.392 1.984 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933734142 777238983 /nfs/dbraw/zinc/23/89/83/777238983.db2.gz MIXDSAQMAIPFBU-SJORKVTESA-N 2 1 269.392 1.984 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](CCc3ccc(C#N)cc3)C[C@]2(C)C1 ZINC000933734142 777238995 /nfs/dbraw/zinc/23/89/95/777238995.db2.gz MIXDSAQMAIPFBU-SJORKVTESA-N 2 1 269.392 1.984 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000874844814 778332198 /nfs/dbraw/zinc/33/21/98/778332198.db2.gz TYRDHBACQPWAKR-HZPDHXFCSA-N 2 1 289.423 1.027 10 30 CDEEMP C#CC[C@@H](COC)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000862551785 778380581 /nfs/dbraw/zinc/38/05/81/778380581.db2.gz YWXAKPZTIITLPK-HOTGVXAUSA-N 2 1 280.412 1.258 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000923413757 778783254 /nfs/dbraw/zinc/78/32/54/778783254.db2.gz GUPVYRTVWJWCEB-GVDBMIGSSA-N 2 1 285.391 1.666 10 30 CDEEMP C#CCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001671142121 1167300925 /nfs/dbraw/zinc/30/09/25/1167300925.db2.gz OOBZVKQUVYKGHE-CQSZACIVSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001671142121 1167300938 /nfs/dbraw/zinc/30/09/38/1167300938.db2.gz OOBZVKQUVYKGHE-CQSZACIVSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001566739261 1168405709 /nfs/dbraw/zinc/40/57/09/1168405709.db2.gz WFLROUAHZBARSZ-HZPDHXFCSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001266836766 896159010 /nfs/dbraw/zinc/15/90/10/896159010.db2.gz XGDVPVSPYXYPJA-UHFFFAOYSA-N 2 1 255.406 1.198 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001567591164 1168876628 /nfs/dbraw/zinc/87/66/28/1168876628.db2.gz ZIZGXHUOAOTSSR-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001267588581 898587537 /nfs/dbraw/zinc/58/75/37/898587537.db2.gz WOKLDCHGLNJXPU-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP 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C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480672488 971833208 /nfs/dbraw/zinc/83/32/08/971833208.db2.gz LHFSOWGIENOSKH-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480740551 971856130 /nfs/dbraw/zinc/85/61/30/971856130.db2.gz ZWUPROYXJUCCOX-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001480740551 971856133 /nfs/dbraw/zinc/85/61/33/971856133.db2.gz ZWUPROYXJUCCOX-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001480740551 971856138 /nfs/dbraw/zinc/85/61/38/971856138.db2.gz ZWUPROYXJUCCOX-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001569153300 1169695581 /nfs/dbraw/zinc/69/55/81/1169695581.db2.gz RUCJXDPEXCOXDC-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001328621347 955381180 /nfs/dbraw/zinc/38/11/80/955381180.db2.gz IBXGJSFPOWKHSH-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001491894198 955494755 /nfs/dbraw/zinc/49/47/55/955494755.db2.gz NAFAMSCZQRAVLA-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001493875964 972132399 /nfs/dbraw/zinc/13/23/99/972132399.db2.gz ZSBXFRCUFXQAHP-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)C ZINC001493875964 972132403 /nfs/dbraw/zinc/13/24/03/972132403.db2.gz ZSBXFRCUFXQAHP-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)C ZINC001493875964 972132407 /nfs/dbraw/zinc/13/24/07/972132407.db2.gz ZSBXFRCUFXQAHP-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493961229 972145516 /nfs/dbraw/zinc/14/55/16/972145516.db2.gz NTQVRKFNQGPMEP-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329803391 956119555 /nfs/dbraw/zinc/11/95/55/956119555.db2.gz REWWWZWXOGVWJP-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001330360481 956395273 /nfs/dbraw/zinc/39/52/73/956395273.db2.gz PWOKCQQAFUYHRO-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360481 956395281 /nfs/dbraw/zinc/39/52/81/956395281.db2.gz PWOKCQQAFUYHRO-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001330360481 956395293 /nfs/dbraw/zinc/39/52/93/956395293.db2.gz PWOKCQQAFUYHRO-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C#CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001330359421 956395566 /nfs/dbraw/zinc/39/55/66/956395566.db2.gz ICPQFOIPFMASAJ-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001330359421 956395577 /nfs/dbraw/zinc/39/55/77/956395577.db2.gz ICPQFOIPFMASAJ-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP C#CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001330359421 956395590 /nfs/dbraw/zinc/39/55/90/956395590.db2.gz ICPQFOIPFMASAJ-PHZGNYQRSA-N 2 1 291.439 1.036 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317043757 957223521 /nfs/dbraw/zinc/22/35/21/957223521.db2.gz PEWVZJBDLCPCBV-OAHLLOKOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001317094239 957265071 /nfs/dbraw/zinc/26/50/71/957265071.db2.gz YZZHJKQNGDRRNL-WKILWMFISA-N 2 1 287.407 1.541 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001317094239 957265080 /nfs/dbraw/zinc/26/50/80/957265080.db2.gz YZZHJKQNGDRRNL-WKILWMFISA-N 2 1 287.407 1.541 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001331939972 957349394 /nfs/dbraw/zinc/34/93/94/957349394.db2.gz OXANCPKPGIIOQB-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001317625207 957606645 /nfs/dbraw/zinc/60/66/45/957606645.db2.gz CEHUFXBZWLNIRW-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001367221185 957851568 /nfs/dbraw/zinc/85/15/68/957851568.db2.gz QKFYBJCPKBXERK-GXTWGEPZSA-N 2 1 299.846 1.661 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001333075165 958058725 /nfs/dbraw/zinc/05/87/25/958058725.db2.gz HCOYNUJDPSNPDU-UYSNPLJNSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001318846663 958280399 /nfs/dbraw/zinc/28/03/99/958280399.db2.gz UQUILWQAUYBITQ-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001319473012 958582482 /nfs/dbraw/zinc/58/24/82/958582482.db2.gz NDZHANUQBZORCN-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001320550536 959235946 /nfs/dbraw/zinc/23/59/46/959235946.db2.gz YEXVOPUGPVKJIN-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001341716581 963519735 /nfs/dbraw/zinc/51/97/35/963519735.db2.gz IVAYWPYTLIDJNT-MJBXVCDLSA-N 2 1 267.417 1.611 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001569383874 1169835883 /nfs/dbraw/zinc/83/58/83/1169835883.db2.gz ZDGNYRAAZZZPMR-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001569383874 1169835892 /nfs/dbraw/zinc/83/58/92/1169835892.db2.gz ZDGNYRAAZZZPMR-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)C1CCCC1 ZINC001569614258 1169937889 /nfs/dbraw/zinc/93/78/89/1169937889.db2.gz PUKIMQFZOLQQLU-HZPDHXFCSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH+]1CCC(NC(=O)CC[N@@H+]2CC[C@@H](F)C2)CC1 ZINC001465396997 969869941 /nfs/dbraw/zinc/86/99/41/969869941.db2.gz WSUYXCSHIIBVDR-CQSZACIVSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@H](C)F ZINC001497403702 973333233 /nfs/dbraw/zinc/33/32/33/973333233.db2.gz MPGTYHYAHKGEND-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC[C@H](C)F ZINC001497403702 973333244 /nfs/dbraw/zinc/33/32/44/973333244.db2.gz MPGTYHYAHKGEND-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001498499011 973949627 /nfs/dbraw/zinc/94/96/27/973949627.db2.gz SOZMTAYDYLEQCB-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001569724149 1169977093 /nfs/dbraw/zinc/97/70/93/1169977093.db2.gz QIHJFVPLJGOMLM-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001569724149 1169977097 /nfs/dbraw/zinc/97/70/97/1169977097.db2.gz QIHJFVPLJGOMLM-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)CCC)C1 ZINC001569724149 1169977102 /nfs/dbraw/zinc/97/71/02/1169977102.db2.gz QIHJFVPLJGOMLM-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253613 974410069 /nfs/dbraw/zinc/41/00/69/974410069.db2.gz IRPBEANKSXWBEH-HNNXBMFYSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001501147432 974542637 /nfs/dbraw/zinc/54/26/37/974542637.db2.gz XYBWIFQXPDXGND-UONOGXRCSA-N 2 1 267.417 1.198 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001502363646 974725854 /nfs/dbraw/zinc/72/58/54/974725854.db2.gz QVYJHVKJQZOIDY-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001502363646 974725857 /nfs/dbraw/zinc/72/58/57/974725857.db2.gz QVYJHVKJQZOIDY-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001502363646 974725862 /nfs/dbraw/zinc/72/58/62/974725862.db2.gz QVYJHVKJQZOIDY-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)CC1 ZINC001502807896 974788584 /nfs/dbraw/zinc/78/85/84/974788584.db2.gz UBJUYGPDNWBRME-KRWDZBQOSA-N 2 1 289.423 1.076 10 30 CDEEMP C[NH+](C)CCC(=O)NCC[N@@H+](C)Cc1cccc(C#N)c1 ZINC001377263557 974949906 /nfs/dbraw/zinc/94/99/06/974949906.db2.gz RITWHGJWMQSOTH-UHFFFAOYSA-N 2 1 288.395 1.058 10 30 CDEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001505980556 975069657 /nfs/dbraw/zinc/06/96/57/975069657.db2.gz DOOJGAVJTISTLI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001505980556 975069664 /nfs/dbraw/zinc/06/96/64/975069664.db2.gz DOOJGAVJTISTLI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001505980556 975069667 /nfs/dbraw/zinc/06/96/67/975069667.db2.gz DOOJGAVJTISTLI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001676222653 1174194331 /nfs/dbraw/zinc/19/43/31/1174194331.db2.gz WKFOWUQALRHPKQ-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001676250315 1174196455 /nfs/dbraw/zinc/19/64/55/1174196455.db2.gz WOJRLQJNTIBLTH-GOEBONIOSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001676481504 1174231696 /nfs/dbraw/zinc/23/16/96/1174231696.db2.gz SNGFGAZEBWQTJP-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001570843627 1170298366 /nfs/dbraw/zinc/29/83/66/1170298366.db2.gz LWNIVPPAEPGIKV-DZGCQCFKSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C1 ZINC001570905765 1170315984 /nfs/dbraw/zinc/31/59/84/1170315984.db2.gz ZNSALPQUNYWDNF-AWEZNQCLSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001570905765 1170315985 /nfs/dbraw/zinc/31/59/85/1170315985.db2.gz ZNSALPQUNYWDNF-AWEZNQCLSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001570905765 1170315989 /nfs/dbraw/zinc/31/59/89/1170315989.db2.gz ZNSALPQUNYWDNF-AWEZNQCLSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001571348712 1170377785 /nfs/dbraw/zinc/37/77/85/1170377785.db2.gz MTUAONOORWQAGX-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001571348712 1170377788 /nfs/dbraw/zinc/37/77/88/1170377788.db2.gz MTUAONOORWQAGX-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001571371293 1170389304 /nfs/dbraw/zinc/38/93/04/1170389304.db2.gz NBIGMNSYGMMNKI-HOCLYGCPSA-N 2 1 293.455 1.731 10 30 CDEEMP C[N@@H+](CCCC[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600738204 342246498 /nfs/dbraw/zinc/24/64/98/342246498.db2.gz ZCLVCKODJHSJCQ-CQSZACIVSA-N 2 1 265.401 1.505 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)ncn1 ZINC000596362870 343311122 /nfs/dbraw/zinc/31/11/22/343311122.db2.gz PHYLNTOOVKYYHJ-LBPRGKRZSA-N 2 1 276.388 1.032 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)ncn1 ZINC000596362870 343311125 /nfs/dbraw/zinc/31/11/25/343311125.db2.gz PHYLNTOOVKYYHJ-LBPRGKRZSA-N 2 1 276.388 1.032 10 30 CDEEMP C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000221344148 359629968 /nfs/dbraw/zinc/62/99/68/359629968.db2.gz SFFSEPVDDJCZIN-GDBMZVCRSA-N 2 1 273.380 1.475 10 30 CDEEMP C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000221344148 359629971 /nfs/dbraw/zinc/62/99/71/359629971.db2.gz SFFSEPVDDJCZIN-GDBMZVCRSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000221344148 359629973 /nfs/dbraw/zinc/62/99/73/359629973.db2.gz SFFSEPVDDJCZIN-GDBMZVCRSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000221344148 359629974 /nfs/dbraw/zinc/62/99/74/359629974.db2.gz SFFSEPVDDJCZIN-GDBMZVCRSA-N 2 1 273.380 1.475 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)COC(C)C)CC1 ZINC000572713829 371282788 /nfs/dbraw/zinc/28/27/88/371282788.db2.gz HKHDWYRKVFZPMS-OAHLLOKOSA-N 2 1 270.417 1.402 10 30 CDEEMP C=CCOCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324827 412893988 /nfs/dbraw/zinc/89/39/88/412893988.db2.gz YOVNKLQDRXJXQN-CQSZACIVSA-N 2 1 256.390 1.232 10 30 CDEEMP C=CCOCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662324827 412893991 /nfs/dbraw/zinc/89/39/91/412893991.db2.gz YOVNKLQDRXJXQN-CQSZACIVSA-N 2 1 256.390 1.232 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001662642132 1172573355 /nfs/dbraw/zinc/57/33/55/1172573355.db2.gz ZWYNZWMCWLERMI-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001663209242 1172655672 /nfs/dbraw/zinc/65/56/72/1172655672.db2.gz GTVRISXRQGMACM-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001663209242 1172655676 /nfs/dbraw/zinc/65/56/76/1172655676.db2.gz GTVRISXRQGMACM-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001663209242 1172655680 /nfs/dbraw/zinc/65/56/80/1172655680.db2.gz GTVRISXRQGMACM-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001663209242 1172655684 /nfs/dbraw/zinc/65/56/84/1172655684.db2.gz GTVRISXRQGMACM-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[C@@]1(C(=O)NCCC[N@H+](C)CC(C)C)CCC[NH2+]1 ZINC000662826726 413558646 /nfs/dbraw/zinc/55/86/46/413558646.db2.gz BSFCKCQXRIPKIX-INIZCTEOSA-N 2 1 281.444 1.779 10 30 CDEEMP CCNC(=O)C[N@H+](CC)Cc1sccc1C#CC[NH3+] ZINC000043684069 175092111 /nfs/dbraw/zinc/09/21/11/175092111.db2.gz VRFAWMNQNJXKBG-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP CCNC(=O)C[N@@H+](CC)Cc1sccc1C#CC[NH3+] ZINC000043684069 175092112 /nfs/dbraw/zinc/09/21/12/175092112.db2.gz VRFAWMNQNJXKBG-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP COC[C@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688961 175095726 /nfs/dbraw/zinc/09/57/26/175095726.db2.gz CMBCKIVXIAYYHR-NSHDSACASA-N 2 1 252.383 1.525 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190492 176067268 /nfs/dbraw/zinc/06/72/68/176067268.db2.gz RCCXSELLZRUBHM-GOSISDBHSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190492 176067269 /nfs/dbraw/zinc/06/72/69/176067269.db2.gz RCCXSELLZRUBHM-GOSISDBHSA-N 2 1 286.419 1.804 10 30 CDEEMP C[NH+](Cc1ccc(C#CCCO)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190492 176067270 /nfs/dbraw/zinc/06/72/70/176067270.db2.gz RCCXSELLZRUBHM-GOSISDBHSA-N 2 1 286.419 1.804 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)C ZINC001666562969 1173152592 /nfs/dbraw/zinc/15/25/92/1173152592.db2.gz FLFSDTRVXQMRPW-CVEARBPZSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC(C)C ZINC001666562969 1173152596 /nfs/dbraw/zinc/15/25/96/1173152596.db2.gz FLFSDTRVXQMRPW-CVEARBPZSA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CCC)CC2 ZINC001666834532 1173189678 /nfs/dbraw/zinc/18/96/78/1173189678.db2.gz JYYPSQXDFZGZMT-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001667203896 1173244273 /nfs/dbraw/zinc/24/42/73/1173244273.db2.gz MQPQIMPCAABEHO-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001668173505 1173377721 /nfs/dbraw/zinc/37/77/21/1173377721.db2.gz JJGQZTHCLDLNJG-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001673621668 1173873789 /nfs/dbraw/zinc/87/37/89/1173873789.db2.gz NQQJGKRNOJVJSO-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP COCc1ccccc1NC(=[NH2+])N[C@H]1CCn2cc[nH+]c2C1 ZINC000262478770 330016443 /nfs/dbraw/zinc/01/64/43/330016443.db2.gz QYPWTAIJNALFCD-ZDUSSCGKSA-N 2 1 299.378 1.771 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N[C@@H]1C[C@H]1C ZINC000262698136 330027800 /nfs/dbraw/zinc/02/78/00/330027800.db2.gz FLXVONMPWOVPBY-FRRDWIJNSA-N 2 1 252.406 1.292 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000424297252 330336335 /nfs/dbraw/zinc/33/63/35/330336335.db2.gz QAEQSRUDKAENBD-AJNGGQMLSA-N 2 1 252.402 1.897 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000424297254 330336350 /nfs/dbraw/zinc/33/63/50/330336350.db2.gz QAEQSRUDKAENBD-BARDWOONSA-N 2 1 252.402 1.897 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731270769 1159287887 /nfs/dbraw/zinc/28/78/87/1159287887.db2.gz ZMNRRNMEURTYTC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480966403 1159470746 /nfs/dbraw/zinc/47/07/46/1159470746.db2.gz GOXKKWWZOHMZCD-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001480966403 1159470749 /nfs/dbraw/zinc/47/07/49/1159470749.db2.gz GOXKKWWZOHMZCD-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001480966403 1159470752 /nfs/dbraw/zinc/47/07/52/1159470752.db2.gz GOXKKWWZOHMZCD-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001480966403 1159470754 /nfs/dbraw/zinc/47/07/54/1159470754.db2.gz GOXKKWWZOHMZCD-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481530279 1159769268 /nfs/dbraw/zinc/76/92/68/1159769268.db2.gz FHSUDOBQFWGIQX-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481530279 1159769287 /nfs/dbraw/zinc/76/92/87/1159769287.db2.gz FHSUDOBQFWGIQX-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001732592722 1160094428 /nfs/dbraw/zinc/09/44/28/1160094428.db2.gz NHXRWBONBGORIX-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001732592722 1160094435 /nfs/dbraw/zinc/09/44/35/1160094435.db2.gz NHXRWBONBGORIX-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001732592722 1160094442 /nfs/dbraw/zinc/09/44/42/1160094442.db2.gz NHXRWBONBGORIX-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001700780000 1177129503 /nfs/dbraw/zinc/12/95/03/1177129503.db2.gz HORBMSMNJYNRIE-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CN(C)C[C@@H]1CCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000061652281 521838870 /nfs/dbraw/zinc/83/88/70/521838870.db2.gz QMLLVVHGSUSXFX-AWEZNQCLSA-N 2 1 277.437 1.584 10 30 CDEEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000061652281 521838880 /nfs/dbraw/zinc/83/88/80/521838880.db2.gz QMLLVVHGSUSXFX-AWEZNQCLSA-N 2 1 277.437 1.584 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717336453 1180621208 /nfs/dbraw/zinc/62/12/08/1180621208.db2.gz FTJLJGQWPLPFKZ-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001732592720 1183034030 /nfs/dbraw/zinc/03/40/30/1183034030.db2.gz NHXRWBONBGORIX-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001732592720 1183034036 /nfs/dbraw/zinc/03/40/36/1183034036.db2.gz NHXRWBONBGORIX-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP CN(C)C[C@@H]1CCC[N@@H+]1Cc1ccccc1C#CC[NH3+] ZINC000061652289 521840148 /nfs/dbraw/zinc/84/01/48/521840148.db2.gz SFQXJGRCXZGRPK-KRWDZBQOSA-N 2 1 271.408 1.523 10 30 CDEEMP CN(C)C[C@@H]1CCC[N@H+]1Cc1ccccc1C#CC[NH3+] ZINC000061652289 521840157 /nfs/dbraw/zinc/84/01/57/521840157.db2.gz SFQXJGRCXZGRPK-KRWDZBQOSA-N 2 1 271.408 1.523 10 30 CDEEMP COc1ccc(C[N@H+]2CC[C@H](C)C2)cc1C#CC[NH3+] ZINC000049609469 524037435 /nfs/dbraw/zinc/03/74/35/524037435.db2.gz GVOCESTWBDFQLB-ZDUSSCGKSA-N 2 1 258.365 1.847 10 30 CDEEMP 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CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903091477 625823476 /nfs/dbraw/zinc/82/34/76/625823476.db2.gz UTFSLRSGAHUHOE-CVEARBPZSA-N 2 1 280.412 1.565 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+](C)C1 ZINC000912306724 629916790 /nfs/dbraw/zinc/91/67/90/629916790.db2.gz MLLTXBWQCUBHKO-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001266741277 1158796724 /nfs/dbraw/zinc/79/67/24/1158796724.db2.gz PJXKAGVMEUVPIL-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266994323 1159073124 /nfs/dbraw/zinc/07/31/24/1159073124.db2.gz LEHISLAXPLZHFX-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001670521708 1158629075 /nfs/dbraw/zinc/62/90/75/1158629075.db2.gz AWLMSOHLGJGEDN-HOCLYGCPSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001266770001 1158816292 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CDEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001691921030 1175652449 /nfs/dbraw/zinc/65/24/49/1175652449.db2.gz DIODICYDVAWROD-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+](C)CC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001692026402 1175667644 /nfs/dbraw/zinc/66/76/44/1175667644.db2.gz KKHJBCQSGBIJMH-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001698605207 1175869055 /nfs/dbraw/zinc/86/90/55/1175869055.db2.gz UKEBBGGDKOKMJJ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001698769306 1175925175 /nfs/dbraw/zinc/92/51/75/1175925175.db2.gz YLRBZNUUIMHUIS-KBPBESRZSA-N 2 1 267.417 1.246 10 30 CDEEMP C=CCCC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001698787240 1175933536 /nfs/dbraw/zinc/93/35/36/1175933536.db2.gz CIVAWRPLAJFXTQ-HNNXBMFYSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001698787240 1175933540 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CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001715274465 1179604454 /nfs/dbraw/zinc/60/44/54/1179604454.db2.gz YQRPTMNYXMHVGT-HIFRSBDPSA-N 2 1 265.401 1.000 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715879787 1179894742 /nfs/dbraw/zinc/89/47/42/1179894742.db2.gz VOKOTMQVLGRBRM-WAVCKPEOSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001716065008 1180028734 /nfs/dbraw/zinc/02/87/34/1180028734.db2.gz IAOMAEGEWKRZPE-CABCVRRESA-N 2 1 288.395 1.089 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001716414868 1180194469 /nfs/dbraw/zinc/19/44/69/1180194469.db2.gz WCZCOTFUHNRUFM-ZIAGYGMSSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001716464388 1180224703 /nfs/dbraw/zinc/22/47/03/1180224703.db2.gz OFDCUMUTKSGSSO-OLZOCXBDSA-N 2 1 278.400 1.641 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCC1 ZINC001716824404 1180425990 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C=CC[N@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001718032926 1180977217 /nfs/dbraw/zinc/97/72/17/1180977217.db2.gz QSAMHWPLKUKEMQ-UHFFFAOYSA-N 2 1 274.368 1.126 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001718032926 1180977224 /nfs/dbraw/zinc/97/72/24/1180977224.db2.gz QSAMHWPLKUKEMQ-UHFFFAOYSA-N 2 1 274.368 1.126 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001723589875 1181590324 /nfs/dbraw/zinc/59/03/24/1181590324.db2.gz PQYVUAWAQFQZOS-CYBMUJFWSA-N 2 1 290.411 1.785 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725042301 1181833104 /nfs/dbraw/zinc/83/31/04/1181833104.db2.gz OIUYATAUCRBWJJ-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001725042301 1181833108 /nfs/dbraw/zinc/83/31/08/1181833108.db2.gz OIUYATAUCRBWJJ-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001725042301 1181833111 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C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001732206155 1182856754 /nfs/dbraw/zinc/85/67/54/1182856754.db2.gz AZMLXLODJMQKDB-UONOGXRCSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001732592720 1183034022 /nfs/dbraw/zinc/03/40/22/1183034022.db2.gz NHXRWBONBGORIX-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001733025527 1183243932 /nfs/dbraw/zinc/24/39/32/1183243932.db2.gz ZHYPCOOLPPTLPF-HNNXBMFYSA-N 2 1 287.407 1.236 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001733025527 1183243936 /nfs/dbraw/zinc/24/39/36/1183243936.db2.gz ZHYPCOOLPPTLPF-HNNXBMFYSA-N 2 1 287.407 1.236 10 30 CDEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001733807279 1183537523 /nfs/dbraw/zinc/53/75/23/1183537523.db2.gz SBZGDZXKRMNGTK-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001734462830 1183787445 /nfs/dbraw/zinc/78/74/45/1183787445.db2.gz UYEUEJPTWSOXGO-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001734462830 1183787447 /nfs/dbraw/zinc/78/74/47/1183787447.db2.gz UYEUEJPTWSOXGO-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001734462830 1183787444 /nfs/dbraw/zinc/78/74/44/1183787444.db2.gz UYEUEJPTWSOXGO-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001734551979 1183822127 /nfs/dbraw/zinc/82/21/27/1183822127.db2.gz UNBGANCXNVNTFJ-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001734551979 1183822130 /nfs/dbraw/zinc/82/21/30/1183822130.db2.gz UNBGANCXNVNTFJ-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001734551979 1183822133 /nfs/dbraw/zinc/82/21/33/1183822133.db2.gz UNBGANCXNVNTFJ-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001750927263 1184784660 /nfs/dbraw/zinc/78/46/60/1184784660.db2.gz MTTDYINVGIUHHK-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1c[nH+]cc1C ZINC001750927263 1184784665 /nfs/dbraw/zinc/78/46/65/1184784665.db2.gz MTTDYINVGIUHHK-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C[NH+]=C(NCc1ccco1)NC[C@H]1CCC[N@@H+]1CCOC ZINC000849001879 782924357 /nfs/dbraw/zinc/92/43/57/782924357.db2.gz OVYUNUSCKRBADQ-CYBMUJFWSA-N 2 1 294.399 1.055 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000877251441 783055532 /nfs/dbraw/zinc/05/55/32/783055532.db2.gz PNNVFDHUMAWWPI-NWDGAFQWSA-N 2 1 273.808 1.255 10 30 CDEEMP C[NH+]1CCC([NH2+][C@H]2Cc3ccc(C#N)cc3C2)CC1 ZINC000865848076 781017715 /nfs/dbraw/zinc/01/77/15/781017715.db2.gz KRDQMORZRIYNAF-INIZCTEOSA-N 2 1 255.365 1.709 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000878549009 1166207202 /nfs/dbraw/zinc/20/72/02/1166207202.db2.gz BHVLLUNZTABDFF-AWEZNQCLSA-N 2 1 280.412 1.912 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC001630911657 1166242555 /nfs/dbraw/zinc/24/25/55/1166242555.db2.gz QJDPHUAXEGREDC-GOEBONIOSA-N 2 1 291.439 1.580 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001378858402 975519154 /nfs/dbraw/zinc/51/91/54/975519154.db2.gz OSINEVYOLODWIT-GFCCVEGCSA-N 2 1 275.824 1.516 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001569108337 1167551041 /nfs/dbraw/zinc/55/10/41/1167551041.db2.gz HLPBKBKHXNWCEP-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001569108337 1167551044 /nfs/dbraw/zinc/55/10/44/1167551044.db2.gz HLPBKBKHXNWCEP-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001569108337 1167551051 /nfs/dbraw/zinc/55/10/51/1167551051.db2.gz HLPBKBKHXNWCEP-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001570440137 1167574659 /nfs/dbraw/zinc/57/46/59/1167574659.db2.gz IOOABDXSMQDXIZ-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566439817 1167959936 /nfs/dbraw/zinc/95/99/36/1167959936.db2.gz PUIURFCIDYFRBV-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001566439817 1167959956 /nfs/dbraw/zinc/95/99/56/1167959956.db2.gz PUIURFCIDYFRBV-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001566439817 1167959981 /nfs/dbraw/zinc/95/99/81/1167959981.db2.gz PUIURFCIDYFRBV-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001567044812 1168043294 /nfs/dbraw/zinc/04/32/94/1168043294.db2.gz WMWUWUVBQNUNKZ-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001567178142 1168606717 /nfs/dbraw/zinc/60/67/17/1168606717.db2.gz ZLOCIWIXQKURDH-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001567266131 1168643983 /nfs/dbraw/zinc/64/39/83/1168643983.db2.gz GSRJDTYEBUAOFI-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001567266131 1168643985 /nfs/dbraw/zinc/64/39/85/1168643985.db2.gz GSRJDTYEBUAOFI-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001567266131 1168643987 /nfs/dbraw/zinc/64/39/87/1168643987.db2.gz GSRJDTYEBUAOFI-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001567475097 1168793152 /nfs/dbraw/zinc/79/31/52/1168793152.db2.gz BNECOCQXRKGSGT-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001567507953 1168820354 /nfs/dbraw/zinc/82/03/54/1168820354.db2.gz NEZBQGGMUVICMR-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266801431 896071335 /nfs/dbraw/zinc/07/13/35/896071335.db2.gz NMZSJMUMYFHIDH-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC1 ZINC001283332165 896495860 /nfs/dbraw/zinc/49/58/60/896495860.db2.gz RLJSJCODNHDXQW-MRXNPFEDSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001267091570 896753535 /nfs/dbraw/zinc/75/35/35/896753535.db2.gz PZVLSYLAXILVHD-HZPDHXFCSA-N 2 1 293.455 1.759 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267198874 897122529 /nfs/dbraw/zinc/12/25/29/897122529.db2.gz BUMALNYKAWHOCI-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001267198874 897122540 /nfs/dbraw/zinc/12/25/40/897122540.db2.gz BUMALNYKAWHOCI-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001267198874 897122548 /nfs/dbraw/zinc/12/25/48/897122548.db2.gz BUMALNYKAWHOCI-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001267198874 897122556 /nfs/dbraw/zinc/12/25/56/897122556.db2.gz BUMALNYKAWHOCI-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)CCC[NH+]1CCCC1 ZINC001480951204 898111810 /nfs/dbraw/zinc/11/18/10/898111810.db2.gz RGRNGBARBTYMOQ-UHFFFAOYSA-N 2 1 267.417 1.487 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267489358 898143842 /nfs/dbraw/zinc/14/38/42/898143842.db2.gz XROLPFCBIZYMEJ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001267489358 898143848 /nfs/dbraw/zinc/14/38/48/898143848.db2.gz XROLPFCBIZYMEJ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 ZINC001267489358 898143859 /nfs/dbraw/zinc/14/38/59/898143859.db2.gz XROLPFCBIZYMEJ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001420070581 899112646 /nfs/dbraw/zinc/11/26/46/899112646.db2.gz AKTMAFGDUIFWJR-UONOGXRCSA-N 2 1 299.846 1.613 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C ZINC001267711527 899344172 /nfs/dbraw/zinc/34/41/72/899344172.db2.gz ZPHANQPQWUPVTM-FXUDXRNXSA-N 2 1 291.439 1.720 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267830699 899833495 /nfs/dbraw/zinc/83/34/95/899833495.db2.gz GHVNYMDCDTUPHM-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481347761 900470612 /nfs/dbraw/zinc/47/06/12/900470612.db2.gz ORTLCQNJVIIVMI-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001481347761 900470621 /nfs/dbraw/zinc/47/06/21/900470621.db2.gz ORTLCQNJVIIVMI-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001481347761 900470625 /nfs/dbraw/zinc/47/06/25/900470625.db2.gz ORTLCQNJVIIVMI-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481373114 900504006 /nfs/dbraw/zinc/50/40/06/900504006.db2.gz UZWXGDXVUBLFCG-WBVHZDCISA-N 2 1 299.418 1.409 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001481493074 900918507 /nfs/dbraw/zinc/91/85/07/900918507.db2.gz ROCXXOQFDPLFBD-OAHLLOKOSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001481493074 900918517 /nfs/dbraw/zinc/91/85/17/900918517.db2.gz ROCXXOQFDPLFBD-OAHLLOKOSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001481988566 902440637 /nfs/dbraw/zinc/44/06/37/902440637.db2.gz DZPBXVUTZXQURC-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001498286623 902525548 /nfs/dbraw/zinc/52/55/48/902525548.db2.gz BGMAFADKVZZGBX-QLFBSQMISA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001498286623 902525557 /nfs/dbraw/zinc/52/55/57/902525557.db2.gz BGMAFADKVZZGBX-QLFBSQMISA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH+]1CC(CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001268858753 903184568 /nfs/dbraw/zinc/18/45/68/903184568.db2.gz PSFVIIXQPCPVGP-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297452 903668163 /nfs/dbraw/zinc/66/81/63/903668163.db2.gz YRPJOUFFGGPWLY-HZPDHXFCSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001269297452 903668170 /nfs/dbraw/zinc/66/81/70/903668170.db2.gz YRPJOUFFGGPWLY-HZPDHXFCSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001270158672 904403584 /nfs/dbraw/zinc/40/35/84/904403584.db2.gz WXDSHJGDUQJCDR-HNNXBMFYSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001270650590 904884140 /nfs/dbraw/zinc/88/41/40/904884140.db2.gz WUJYCUHOAMEZQB-GDBMZVCRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001270759930 905024351 /nfs/dbraw/zinc/02/43/51/905024351.db2.gz CFFLWLYFBBORST-INIZCTEOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001482414172 905321246 /nfs/dbraw/zinc/32/12/46/905321246.db2.gz RUNHDQYVHYZXQT-CVEARBPZSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001271610695 906543527 /nfs/dbraw/zinc/54/35/27/906543527.db2.gz YYLNOZROBHRCBS-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001271784202 906806141 /nfs/dbraw/zinc/80/61/41/906806141.db2.gz IJFAWAVPJCMTBR-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482831293 908410143 /nfs/dbraw/zinc/41/01/43/908410143.db2.gz JSMQYEYJKJKNKK-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001483494187 911191152 /nfs/dbraw/zinc/19/11/52/911191152.db2.gz FUKCQEMCARJZCI-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483572871 911280685 /nfs/dbraw/zinc/28/06/85/911280685.db2.gz ZGVURXLSRYVVET-UONOGXRCSA-N 2 1 299.846 1.708 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483580427 911291790 /nfs/dbraw/zinc/29/17/90/911291790.db2.gz CJKSTUNAJAEDCU-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP C#C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000827566237 936599720 /nfs/dbraw/zinc/59/97/20/936599720.db2.gz UGRPNLHHSLQQCR-JYJNAYRXSA-N 2 1 262.397 1.631 10 30 CDEEMP C#C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000827566243 936599870 /nfs/dbraw/zinc/59/98/70/936599870.db2.gz UGRPNLHHSLQQCR-XHSDSOJGSA-N 2 1 262.397 1.631 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272866288 919925258 /nfs/dbraw/zinc/92/52/58/919925258.db2.gz USEAGOXKVYCTFB-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001486092860 920691436 /nfs/dbraw/zinc/69/14/36/920691436.db2.gz IEZPKLLFNVROCU-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001486138507 920744295 /nfs/dbraw/zinc/74/42/95/920744295.db2.gz YBOKHDRXNLJJPM-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001486127936 920758697 /nfs/dbraw/zinc/75/86/97/920758697.db2.gz HZOXOYOOYGBMGE-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001486473971 921049065 /nfs/dbraw/zinc/04/90/65/921049065.db2.gz LOZXGQJJILZIRK-FXQLRMTLSA-N 2 1 291.439 1.319 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491153411 936865927 /nfs/dbraw/zinc/86/59/27/936865927.db2.gz KVPBYORJQWWASC-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001490770650 927336191 /nfs/dbraw/zinc/33/61/91/927336191.db2.gz DQEIOIWXBWVAFG-CABCVRRESA-N 2 1 279.428 1.130 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001568514731 1169341668 /nfs/dbraw/zinc/34/16/68/1169341668.db2.gz BEEHKTNNUMDCRZ-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001568514731 1169341675 /nfs/dbraw/zinc/34/16/75/1169341675.db2.gz BEEHKTNNUMDCRZ-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001568514731 1169341682 /nfs/dbraw/zinc/34/16/82/1169341682.db2.gz BEEHKTNNUMDCRZ-HZPDHXFCSA-N 2 1 293.455 1.826 10 30 CDEEMP C#CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC000932464662 933716992 /nfs/dbraw/zinc/71/69/92/933716992.db2.gz RNTSCCPTIWQPBF-UHFFFAOYSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001282464786 942716239 /nfs/dbraw/zinc/71/62/39/942716239.db2.gz NISXQTRHVWXDGH-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263819347 943987334 /nfs/dbraw/zinc/98/73/34/943987334.db2.gz SBDBIOQWGVLEII-LSDHHAIUSA-N 2 1 281.444 1.681 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263820784 943988985 /nfs/dbraw/zinc/98/89/85/943988985.db2.gz GWHBBUNZVFOOSH-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001264466120 944140923 /nfs/dbraw/zinc/14/09/23/944140923.db2.gz QTEOKDDCPUTXOP-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCN1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265290940 944322396 /nfs/dbraw/zinc/32/23/96/944322396.db2.gz XGVVCWXGBBLWNB-CQSZACIVSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001265290940 944322403 /nfs/dbraw/zinc/32/24/03/944322403.db2.gz XGVVCWXGBBLWNB-CQSZACIVSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001265290940 944322416 /nfs/dbraw/zinc/32/24/16/944322416.db2.gz XGVVCWXGBBLWNB-CQSZACIVSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265290940 944322425 /nfs/dbraw/zinc/32/24/25/944322425.db2.gz XGVVCWXGBBLWNB-CQSZACIVSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001265290940 944322436 /nfs/dbraw/zinc/32/24/36/944322436.db2.gz XGVVCWXGBBLWNB-CQSZACIVSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001265436735 944388009 /nfs/dbraw/zinc/38/80/09/944388009.db2.gz NOZVQUIVOKTTDK-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586474 944439201 /nfs/dbraw/zinc/43/92/01/944439201.db2.gz HZFUFOGEEBCMBR-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001265586474 944439207 /nfs/dbraw/zinc/43/92/07/944439207.db2.gz HZFUFOGEEBCMBR-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265629643 944451593 /nfs/dbraw/zinc/45/15/93/944451593.db2.gz DBUAGFNVDJRORQ-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001266112296 944686622 /nfs/dbraw/zinc/68/66/22/944686622.db2.gz KPYDFONALCXRQO-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001491565665 946191879 /nfs/dbraw/zinc/19/18/79/946191879.db2.gz PMKGUSRVJVCSOL-AAEUAGOBSA-N 2 1 276.384 1.034 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001278425010 947888596 /nfs/dbraw/zinc/88/85/96/947888596.db2.gz YJCNJQTWTDTGAE-RDJZCZTQSA-N 2 1 299.418 1.331 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001278425010 947888602 /nfs/dbraw/zinc/88/86/02/947888602.db2.gz YJCNJQTWTDTGAE-RDJZCZTQSA-N 2 1 299.418 1.331 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001278521362 949704131 /nfs/dbraw/zinc/70/41/31/949704131.db2.gz NGRBBOKVAASGQZ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480254594 971650474 /nfs/dbraw/zinc/65/04/74/971650474.db2.gz FTUWDQQVLLGUBQ-HUUCEWRRSA-N 2 1 299.434 1.681 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001480286601 971659057 /nfs/dbraw/zinc/65/90/57/971659057.db2.gz SHWXANJEMJJUAT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001480490300 971753610 /nfs/dbraw/zinc/75/36/10/971753610.db2.gz GHTMJOFPRAFVFN-LLVKDONJSA-N 2 1 280.372 1.020 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001324640495 953489248 /nfs/dbraw/zinc/48/92/48/953489248.db2.gz BGFUVVCUAUXCNI-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001327271199 954801897 /nfs/dbraw/zinc/80/18/97/954801897.db2.gz NOOXCCCSGRUYSL-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](CC)[NH+](C)C ZINC001297373311 955016996 /nfs/dbraw/zinc/01/69/96/955016996.db2.gz RIFXXBBTOOZHIJ-CYBMUJFWSA-N 2 1 255.406 1.293 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328281657 955250148 /nfs/dbraw/zinc/25/01/48/955250148.db2.gz DONPZPIAYJZOPC-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001329320868 955824503 /nfs/dbraw/zinc/82/45/03/955824503.db2.gz LUAXHLCMXXAWCN-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001330210243 956328004 /nfs/dbraw/zinc/32/80/04/956328004.db2.gz OJDZFNDRRKKCDG-AWEZNQCLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494181129 972195036 /nfs/dbraw/zinc/19/50/36/972195036.db2.gz QEIUWYGZUCSJPH-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494181129 972195039 /nfs/dbraw/zinc/19/50/39/972195039.db2.gz QEIUWYGZUCSJPH-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494181129 972195042 /nfs/dbraw/zinc/19/50/42/972195042.db2.gz QEIUWYGZUCSJPH-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317510669 956762996 /nfs/dbraw/zinc/76/29/96/956762996.db2.gz RXEPYWWWCGHNJO-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317510669 956763004 /nfs/dbraw/zinc/76/30/04/956763004.db2.gz RXEPYWWWCGHNJO-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317510669 956763012 /nfs/dbraw/zinc/76/30/12/956763012.db2.gz RXEPYWWWCGHNJO-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001331302665 956955572 /nfs/dbraw/zinc/95/55/72/956955572.db2.gz KZQBSUGZGIQEGD-OAHLLOKOSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001316804795 957027254 /nfs/dbraw/zinc/02/72/54/957027254.db2.gz WLEZFSFPHLBEEV-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316804795 957027271 /nfs/dbraw/zinc/02/72/71/957027271.db2.gz WLEZFSFPHLBEEV-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001316804795 957027281 /nfs/dbraw/zinc/02/72/81/957027281.db2.gz WLEZFSFPHLBEEV-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001316864813 957079113 /nfs/dbraw/zinc/07/91/13/957079113.db2.gz LXZFPVRMGPHWCD-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001316864813 957079128 /nfs/dbraw/zinc/07/91/28/957079128.db2.gz LXZFPVRMGPHWCD-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCCC[NH+](C)CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001316864813 957079139 /nfs/dbraw/zinc/07/91/39/957079139.db2.gz LXZFPVRMGPHWCD-KRWDZBQOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317014070 957202294 /nfs/dbraw/zinc/20/22/94/957202294.db2.gz AGJCMBVMVSETRI-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001317088881 957262837 /nfs/dbraw/zinc/26/28/37/957262837.db2.gz GSEBTYJVOXAKET-HDJSIYSDSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001317112800 957280182 /nfs/dbraw/zinc/28/01/82/957280182.db2.gz IMVONDSAKALNKN-DCUPDMMRSA-N 2 1 295.814 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C/C=C\Cl)C1 ZINC001317112800 957280190 /nfs/dbraw/zinc/28/01/90/957280190.db2.gz IMVONDSAKALNKN-DCUPDMMRSA-N 2 1 295.814 1.073 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001317934503 957824484 /nfs/dbraw/zinc/82/44/84/957824484.db2.gz ZSPPFGGKJDDRMJ-HUUCEWRRSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317972378 957838895 /nfs/dbraw/zinc/83/88/95/957838895.db2.gz FIBBEAONZFFSGR-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001494828397 972317360 /nfs/dbraw/zinc/31/73/60/972317360.db2.gz RUQFJNDAAAJODZ-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494828397 972317363 /nfs/dbraw/zinc/31/73/63/972317363.db2.gz RUQFJNDAAAJODZ-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494828397 972317369 /nfs/dbraw/zinc/31/73/69/972317369.db2.gz RUQFJNDAAAJODZ-OWCLPIDISA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001494925594 972338111 /nfs/dbraw/zinc/33/81/11/972338111.db2.gz RSZZBNQRGKPSGD-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001319487163 958589743 /nfs/dbraw/zinc/58/97/43/958589743.db2.gz VVGNHSCXCZKFSW-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001319716258 958698898 /nfs/dbraw/zinc/69/88/98/958698898.db2.gz UPOOGDLOVSDHEB-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320000013 958858811 /nfs/dbraw/zinc/85/88/11/958858811.db2.gz OJWXVZRKDXLPPR-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001320000013 958858836 /nfs/dbraw/zinc/85/88/36/958858836.db2.gz OJWXVZRKDXLPPR-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001320000013 958858850 /nfs/dbraw/zinc/85/88/50/958858850.db2.gz OJWXVZRKDXLPPR-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001495058027 972391235 /nfs/dbraw/zinc/39/12/35/972391235.db2.gz MAYRGQHNISXHDR-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001368670453 959028854 /nfs/dbraw/zinc/02/88/54/959028854.db2.gz SXCHOOWWCPFTKL-WCQYABFASA-N 2 1 287.835 1.516 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001495270088 972461469 /nfs/dbraw/zinc/46/14/69/972461469.db2.gz ZUJZUFBRANFUIM-RDJZCZTQSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001322852036 960344595 /nfs/dbraw/zinc/34/45/95/960344595.db2.gz IFXWTRMODSKRHK-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C#CCC[NH+]1CCC([NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC001338492592 961836296 /nfs/dbraw/zinc/83/62/96/961836296.db2.gz UYVKRYQNSIYHFP-MRXNPFEDSA-N 2 1 294.439 1.120 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001437301232 962797034 /nfs/dbraw/zinc/79/70/34/962797034.db2.gz IWHDLEMUPBNWKU-HZSPNIEDSA-N 2 1 299.846 1.517 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001443928518 965669767 /nfs/dbraw/zinc/66/97/67/965669767.db2.gz DXHLEPWILQVVMG-FRRDWIJNSA-N 2 1 287.835 1.564 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849044843 969428925 /nfs/dbraw/zinc/42/89/25/969428925.db2.gz HVIVBFUABHLMQP-MRXNPFEDSA-N 2 1 299.422 1.851 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001495749455 972620019 /nfs/dbraw/zinc/62/00/19/972620019.db2.gz HJNRSWJQNLNISM-CQSZACIVSA-N 2 1 290.411 1.372 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001496144325 972815295 /nfs/dbraw/zinc/81/52/95/972815295.db2.gz HDEZTXZLNDQROI-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001496299308 972879141 /nfs/dbraw/zinc/87/91/41/972879141.db2.gz BZDRXFVCTUQTTC-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001497997741 973603252 /nfs/dbraw/zinc/60/32/52/973603252.db2.gz ZHYPCOOLPPTLPF-OAHLLOKOSA-N 2 1 287.407 1.236 10 30 CDEEMP 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CDEEMP C#CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001571352650 1170379754 /nfs/dbraw/zinc/37/97/54/1170379754.db2.gz VOFUASCAIYTMJI-LSDHHAIUSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(Br)C[NH+]1CCC(C[NH2+]CCOC)CC1 ZINC000082645825 178141503 /nfs/dbraw/zinc/14/15/03/178141503.db2.gz OUKWHYFVOJMREW-UHFFFAOYSA-N 2 1 291.233 1.843 10 30 CDEEMP C[N@H+]1CCC[C@@H]2CN(Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073550 342663829 /nfs/dbraw/zinc/66/38/29/342663829.db2.gz GVLSZHQHIKUDSX-ZBFHGGJFSA-N 2 1 270.380 1.869 10 30 CDEEMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600721073 342244734 /nfs/dbraw/zinc/24/47/34/342244734.db2.gz KUJGAIRPKWGVSJ-UONOGXRCSA-N 2 1 265.401 1.363 10 30 CDEEMP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@@H+]1C ZINC000344611763 357043417 /nfs/dbraw/zinc/04/34/17/357043417.db2.gz BHNLAXURKJICOK-TZMCWYRMSA-N 2 1 283.379 1.778 10 30 CDEEMP C[C@@H]1C[C@H]([NH2+]Cc2cnc3ccc(C#N)cn23)CC[N@H+]1C ZINC000344611763 357043423 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C=CC[C@@]1(C(=O)NCCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662680042 413299567 /nfs/dbraw/zinc/29/95/67/413299567.db2.gz SKVPXPJWIYUPEP-HNNXBMFYSA-N 2 1 276.384 1.396 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664760858 1172905385 /nfs/dbraw/zinc/90/53/85/1172905385.db2.gz ZXXVGZIBAXINNM-HNNXBMFYSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@H+](CC)C2CC2)CCC[NH2+]1 ZINC000662713841 413368121 /nfs/dbraw/zinc/36/81/21/413368121.db2.gz ZLJRVZCNHZWWTJ-HNNXBMFYSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000876783309 782013778 /nfs/dbraw/zinc/01/37/78/782013778.db2.gz YZMFWHYFEIDHBB-KPXOXKRLSA-N 2 1 271.792 1.055 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001665732897 1173048759 /nfs/dbraw/zinc/04/87/59/1173048759.db2.gz ZMQKKUSCRSAOHM-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319790 414637425 /nfs/dbraw/zinc/63/74/25/414637425.db2.gz MLLQBTNWDYBQMU-HUUCEWRRSA-N 2 1 270.417 1.356 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319788 414638389 /nfs/dbraw/zinc/63/83/89/414638389.db2.gz MLLQBTNWDYBQMU-CABCVRRESA-N 2 1 270.417 1.356 10 30 CDEEMP CC[N@H+](CC(=O)NC(C)C)Cc1sccc1C#CC[NH3+] ZINC000043684071 175092095 /nfs/dbraw/zinc/09/20/95/175092095.db2.gz IQUYLEKDGIUTRI-UHFFFAOYSA-N 2 1 293.436 1.405 10 30 CDEEMP CC[N@@H+](CC(=O)NC(C)C)Cc1sccc1C#CC[NH3+] ZINC000043684071 175092096 /nfs/dbraw/zinc/09/20/96/175092096.db2.gz IQUYLEKDGIUTRI-UHFFFAOYSA-N 2 1 293.436 1.405 10 30 CDEEMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689080 175095511 /nfs/dbraw/zinc/09/55/11/175095511.db2.gz UNZHJZPKDCALFK-WCQYABFASA-N 2 1 291.420 1.144 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc(C#CC[NH3+])c1 ZINC000044566226 175208626 /nfs/dbraw/zinc/20/86/26/175208626.db2.gz IBJRHPORFSYFRT-MRXNPFEDSA-N 2 1 285.391 1.211 10 30 CDEEMP CCCN[C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190768 176068683 /nfs/dbraw/zinc/06/86/83/176068683.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 2 1 280.460 1.932 10 30 CDEEMP CCCN[C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190768 176068684 /nfs/dbraw/zinc/06/86/84/176068684.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 2 1 280.460 1.932 10 30 CDEEMP CCCN[C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190768 176068685 /nfs/dbraw/zinc/06/86/85/176068685.db2.gz RMBFETSCPHMTBR-JKSUJKDBSA-N 2 1 280.460 1.932 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754276 424440806 /nfs/dbraw/zinc/44/08/06/424440806.db2.gz PFCNGXSPJKNJTL-GJZGRUSLSA-N 2 1 268.401 1.156 10 30 CDEEMP C[C@@H]1CCOCCN1CC#CC[N@H+]1CCOCC[C@H]1C ZINC000367457039 266290871 /nfs/dbraw/zinc/29/08/71/266290871.db2.gz DVSNIXWSNDNBAF-HZPDHXFCSA-N 2 1 280.412 1.211 10 30 CDEEMP C[C@@H]1CCOCC[NH+]1CC#CC[N@H+]1CCOCC[C@H]1C ZINC000367457039 266290874 /nfs/dbraw/zinc/29/08/74/266290874.db2.gz 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C#CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001690535977 1175489916 /nfs/dbraw/zinc/48/99/16/1175489916.db2.gz UVXQGTGGWOXYDL-GPANFISMSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC001691857863 1175638417 /nfs/dbraw/zinc/63/84/17/1175638417.db2.gz QIIWNKHHNJXMGJ-HIFRSBDPSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001698845666 1175960727 /nfs/dbraw/zinc/96/07/27/1175960727.db2.gz MWJZXISGJPBCKU-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698883816 1175976148 /nfs/dbraw/zinc/97/61/48/1175976148.db2.gz GEQOUJZVVPKQKU-HZPDHXFCSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001699313263 1176214265 /nfs/dbraw/zinc/21/42/65/1176214265.db2.gz BACDJMRLTZLKRG-PIGHNIFASA-N 2 1 291.439 1.841 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699528493 1176462952 /nfs/dbraw/zinc/46/29/52/1176462952.db2.gz HPUPDASLKITTQZ-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001699702499 1176570794 /nfs/dbraw/zinc/57/07/94/1176570794.db2.gz YZCKFTMWSILUAL-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001700183807 1176786622 /nfs/dbraw/zinc/78/66/22/1176786622.db2.gz HJJMJJPJJWGLIV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001700183807 1176786625 /nfs/dbraw/zinc/78/66/25/1176786625.db2.gz HJJMJJPJJWGLIV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001700183807 1176786629 /nfs/dbraw/zinc/78/66/29/1176786629.db2.gz HJJMJJPJJWGLIV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001700905000 1177190668 /nfs/dbraw/zinc/19/06/68/1177190668.db2.gz CLHYTKOJQHFBAE-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001701054967 1177257900 /nfs/dbraw/zinc/25/79/00/1177257900.db2.gz HTDJYAJEEMMDID-UHFFFAOYSA-N 2 1 291.439 1.795 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713084052 1178355542 /nfs/dbraw/zinc/35/55/42/1178355542.db2.gz ITUBOKWVMILMBO-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001713084052 1178355549 /nfs/dbraw/zinc/35/55/49/1178355549.db2.gz ITUBOKWVMILMBO-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001713084052 1178355558 /nfs/dbraw/zinc/35/55/58/1178355558.db2.gz ITUBOKWVMILMBO-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278113 1178463372 /nfs/dbraw/zinc/46/33/72/1178463372.db2.gz QYOBLUDYVAGFPH-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713477720 1178594402 /nfs/dbraw/zinc/59/44/02/1178594402.db2.gz ATTHUJXESWEHRJ-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001713477720 1178594406 /nfs/dbraw/zinc/59/44/06/1178594406.db2.gz ATTHUJXESWEHRJ-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001713530684 1178629549 /nfs/dbraw/zinc/62/95/49/1178629549.db2.gz KNPOZRYRKYYWMR-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530684 1178629553 /nfs/dbraw/zinc/62/95/53/1178629553.db2.gz KNPOZRYRKYYWMR-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001713530684 1178629555 /nfs/dbraw/zinc/62/95/55/1178629555.db2.gz KNPOZRYRKYYWMR-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713536123 1178633443 /nfs/dbraw/zinc/63/34/43/1178633443.db2.gz RAQSCPXIAVFOFN-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714033129 1178938117 /nfs/dbraw/zinc/93/81/17/1178938117.db2.gz SPZHGZBIEBJJBL-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714033129 1178938120 /nfs/dbraw/zinc/93/81/20/1178938120.db2.gz SPZHGZBIEBJJBL-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714033129 1178938125 /nfs/dbraw/zinc/93/81/25/1178938125.db2.gz SPZHGZBIEBJJBL-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714040663 1178942717 /nfs/dbraw/zinc/94/27/17/1178942717.db2.gz AYMUDUXHAXJGEK-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001714110409 1178977216 /nfs/dbraw/zinc/97/72/16/1178977216.db2.gz CXCLBNCPNNGALN-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001714469700 1179156574 /nfs/dbraw/zinc/15/65/74/1179156574.db2.gz QGRMLFVPYQLRGU-ZIAGYGMSSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001714659756 1179305591 /nfs/dbraw/zinc/30/55/91/1179305591.db2.gz MATUWIZXNTYASF-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714659756 1179305596 /nfs/dbraw/zinc/30/55/96/1179305596.db2.gz MATUWIZXNTYASF-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001714659756 1179305601 /nfs/dbraw/zinc/30/56/01/1179305601.db2.gz MATUWIZXNTYASF-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001714674451 1179316640 /nfs/dbraw/zinc/31/66/40/1179316640.db2.gz GIVKLCCNFXHRHA-KRWDZBQOSA-N 2 1 299.418 1.503 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC001714674451 1179316646 /nfs/dbraw/zinc/31/66/46/1179316646.db2.gz GIVKLCCNFXHRHA-KRWDZBQOSA-N 2 1 299.418 1.503 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714868881 1179431014 /nfs/dbraw/zinc/43/10/14/1179431014.db2.gz SWUSOIUIBUROHR-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714868881 1179431016 /nfs/dbraw/zinc/43/10/16/1179431016.db2.gz SWUSOIUIBUROHR-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714868881 1179431020 /nfs/dbraw/zinc/43/10/20/1179431020.db2.gz SWUSOIUIBUROHR-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001715235998 1179590153 /nfs/dbraw/zinc/59/01/53/1179590153.db2.gz ORNAPBYYJFLQLI-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715238813 1179590983 /nfs/dbraw/zinc/59/09/83/1179590983.db2.gz IUXMOUSQPWDANC-CABCVRRESA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001716416638 1180194803 /nfs/dbraw/zinc/19/48/03/1180194803.db2.gz QOLVGIKHLORLHX-CYBMUJFWSA-N 2 1 278.400 1.642 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717376039 1180635354 /nfs/dbraw/zinc/63/53/54/1180635354.db2.gz IZIWHHVPTXGUCL-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001717376039 1180635361 /nfs/dbraw/zinc/63/53/61/1180635361.db2.gz IZIWHHVPTXGUCL-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001717393725 1180644681 /nfs/dbraw/zinc/64/46/81/1180644681.db2.gz JYMWDKFTGKOLLX-WLYUNCDWSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001717500304 1180713433 /nfs/dbraw/zinc/71/34/33/1180713433.db2.gz QYQWHUXEHYFUQZ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001722915899 1181493814 /nfs/dbraw/zinc/49/38/14/1181493814.db2.gz JDUWIOBGNNHFHD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001722915899 1181493817 /nfs/dbraw/zinc/49/38/17/1181493817.db2.gz JDUWIOBGNNHFHD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001722915899 1181493823 /nfs/dbraw/zinc/49/38/23/1181493823.db2.gz JDUWIOBGNNHFHD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001724710471 1181731576 /nfs/dbraw/zinc/73/15/76/1181731576.db2.gz AIABVYOMTGVDTK-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CCC1 ZINC001724794150 1181755847 /nfs/dbraw/zinc/75/58/47/1181755847.db2.gz SRJHWHVRCOHSSX-UHFFFAOYSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001725364406 1181975185 /nfs/dbraw/zinc/97/51/85/1181975185.db2.gz PPDGAABTVZUFAF-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725470950 1182011177 /nfs/dbraw/zinc/01/11/77/1182011177.db2.gz QHLYYRKEYWDMEC-GOEBONIOSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001725513094 1182031580 /nfs/dbraw/zinc/03/15/80/1182031580.db2.gz FYBGXIWLSSRMPT-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001731486669 1182414681 /nfs/dbraw/zinc/41/46/81/1182414681.db2.gz TVKBELPBEUZGSH-KFWWJZLASA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001731506360 1182424592 /nfs/dbraw/zinc/42/45/92/1182424592.db2.gz YUAWYIWPXSKNKQ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001731506360 1182424597 /nfs/dbraw/zinc/42/45/97/1182424597.db2.gz YUAWYIWPXSKNKQ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001731506360 1182424601 /nfs/dbraw/zinc/42/46/01/1182424601.db2.gz YUAWYIWPXSKNKQ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731830879 1182614193 /nfs/dbraw/zinc/61/41/93/1182614193.db2.gz DCTFSCWPHVHXKQ-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731830879 1182614195 /nfs/dbraw/zinc/61/41/95/1182614195.db2.gz DCTFSCWPHVHXKQ-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732057423 1182742613 /nfs/dbraw/zinc/74/26/13/1182742613.db2.gz NFCPQTVXVCEDFD-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001732399468 1182945229 /nfs/dbraw/zinc/94/52/29/1182945229.db2.gz ANMJFZDDMLZUKN-UHFFFAOYSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001732559504 1183009526 /nfs/dbraw/zinc/00/95/26/1183009526.db2.gz AEPRDQFEXVOYCH-HZPDHXFCSA-N 2 1 293.455 1.470 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001733024279 1183243540 /nfs/dbraw/zinc/24/35/40/1183243540.db2.gz MVMUMCWRWPAICG-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001733100225 1183291566 /nfs/dbraw/zinc/29/15/66/1183291566.db2.gz ZMQNJIHVIQDQFD-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001733130357 1183302384 /nfs/dbraw/zinc/30/23/84/1183302384.db2.gz CHPOTMIIKWAJEA-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001734350244 1183743024 /nfs/dbraw/zinc/74/30/24/1183743024.db2.gz GDXWNPQLJYKDRK-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC1(C)C ZINC001734503644 1183802399 /nfs/dbraw/zinc/80/23/99/1183802399.db2.gz FPEYOEYLZPLLRA-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967320 1165950391 /nfs/dbraw/zinc/95/03/91/1165950391.db2.gz FBUVVPIEUZGDBS-GXTWGEPZSA-N 2 1 299.846 1.980 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001567451116 1168771735 /nfs/dbraw/zinc/77/17/35/1168771735.db2.gz DODLWYQKRWHJFY-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001567451116 1168771743 /nfs/dbraw/zinc/77/17/43/1168771743.db2.gz DODLWYQKRWHJFY-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001567451116 1168771757 /nfs/dbraw/zinc/77/17/57/1168771757.db2.gz DODLWYQKRWHJFY-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001266252354 893923514 /nfs/dbraw/zinc/92/35/14/893923514.db2.gz SBSFFOFAVSPLDM-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266431355 894844915 /nfs/dbraw/zinc/84/49/15/894844915.db2.gz FJDKJSQDKLECNH-AWEZNQCLSA-N 2 1 269.433 1.587 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001266695187 895849433 /nfs/dbraw/zinc/84/94/33/895849433.db2.gz NROXNKUCWMSCQW-XHSDSOJGSA-N 2 1 291.439 1.367 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266751969 895971871 /nfs/dbraw/zinc/97/18/71/895971871.db2.gz MAVYKXDKLOTKQI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267217423 897180168 /nfs/dbraw/zinc/18/01/68/897180168.db2.gz GOCHEMMPRVJWRN-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267217423 897180174 /nfs/dbraw/zinc/18/01/74/897180174.db2.gz GOCHEMMPRVJWRN-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267217423 897180177 /nfs/dbraw/zinc/18/01/77/897180177.db2.gz GOCHEMMPRVJWRN-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267306689 897547915 /nfs/dbraw/zinc/54/79/15/897547915.db2.gz KITQHNMBLQTHRV-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 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CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001481112768 898883303 /nfs/dbraw/zinc/88/33/03/898883303.db2.gz RZWDBDNNGGYATK-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001267648869 899162911 /nfs/dbraw/zinc/16/29/11/899162911.db2.gz FRJKKIHSQVWEKQ-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267648869 899162915 /nfs/dbraw/zinc/16/29/15/899162915.db2.gz FRJKKIHSQVWEKQ-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001481330158 900427336 /nfs/dbraw/zinc/42/73/36/900427336.db2.gz YEZKTNIMZZBLMB-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268109989 901312902 /nfs/dbraw/zinc/31/29/02/901312902.db2.gz ARXNEQGLQLLKQW-HRCADAONSA-N 2 1 293.455 1.470 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001268254874 901678125 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CDEEMP C#CCC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001482026536 902484487 /nfs/dbraw/zinc/48/44/87/902484487.db2.gz LVHSETSVFKHLTQ-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001268555803 902556767 /nfs/dbraw/zinc/55/67/67/902556767.db2.gz LOQDRKFCYWCSPB-XFCCUVRLSA-N 2 1 289.423 1.289 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482110192 902657695 /nfs/dbraw/zinc/65/76/95/902657695.db2.gz LXUNSTLRLCXTJW-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001482163288 902782147 /nfs/dbraw/zinc/78/21/47/902782147.db2.gz KBKZKOXVPPHZAM-HOCLYGCPSA-N 2 1 279.428 1.390 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001269558169 903930069 /nfs/dbraw/zinc/93/00/69/903930069.db2.gz WZAURMSNMJWJCM-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001270443570 904638868 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C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001271216933 906186097 /nfs/dbraw/zinc/18/60/97/906186097.db2.gz RGFFPPRCALAYLJ-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001271216936 906186254 /nfs/dbraw/zinc/18/62/54/906186254.db2.gz RGFFPPRCALAYLJ-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001271216936 906186262 /nfs/dbraw/zinc/18/62/62/906186262.db2.gz RGFFPPRCALAYLJ-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001271261087 906214757 /nfs/dbraw/zinc/21/47/57/906214757.db2.gz GIHCAGCMBRQLRY-BZUAXINKSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C1CCCCC1 ZINC001271354922 906265566 /nfs/dbraw/zinc/26/55/66/906265566.db2.gz UOMUIJARIZDTJF-MRXNPFEDSA-N 2 1 293.455 1.616 10 30 CDEEMP C[NH+]=C(NC[C@H]1CCC[N@@H+]1CCOC)NC(C)(C)C ZINC000303487035 906658092 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291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC=C(C)C ZINC001507089577 910731833 /nfs/dbraw/zinc/73/18/33/910731833.db2.gz CJAPJQLFKXKLAA-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001493544223 911221092 /nfs/dbraw/zinc/22/10/92/911221092.db2.gz FYQZUYINMWSVLJ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484162248 915484998 /nfs/dbraw/zinc/48/49/98/915484998.db2.gz YSXZFQQDKVIBEZ-INMHGKMJSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484162248 915485009 /nfs/dbraw/zinc/48/50/09/915485009.db2.gz YSXZFQQDKVIBEZ-INMHGKMJSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484162248 915485015 /nfs/dbraw/zinc/48/50/15/915485015.db2.gz YSXZFQQDKVIBEZ-INMHGKMJSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001485177588 916627863 /nfs/dbraw/zinc/62/78/63/916627863.db2.gz QCZRDXGDDCNYOU-QWHCGFSZSA-N 2 1 264.373 1.250 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001485325019 916845342 /nfs/dbraw/zinc/84/53/42/916845342.db2.gz QGVSCDSPBPVWSY-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485571330 917093759 /nfs/dbraw/zinc/09/37/59/917093759.db2.gz JLAPNFJZWYCCMR-ZIAGYGMSSA-N 2 1 297.418 1.126 10 30 CDEEMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)C(C)(C)C1 ZINC001485571330 917093777 /nfs/dbraw/zinc/09/37/77/917093777.db2.gz JLAPNFJZWYCCMR-ZIAGYGMSSA-N 2 1 297.418 1.126 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272866133 919925972 /nfs/dbraw/zinc/92/59/72/919925972.db2.gz RUPGCAQVKKUJTH-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C1([NH+](C)C)CCCC1 ZINC001139874328 936655210 /nfs/dbraw/zinc/65/52/10/936655210.db2.gz VAKHFQXRLDWBOC-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001649448342 1169257397 /nfs/dbraw/zinc/25/73/97/1169257397.db2.gz WSYKXMYXQSZPPQ-YOEHRIQHSA-N 2 1 293.455 1.779 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001649451733 1169259856 /nfs/dbraw/zinc/25/98/56/1169259856.db2.gz FAKPYERVZPGSIA-VXGBXAGGSA-N 2 1 273.808 1.318 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923366241 923780030 /nfs/dbraw/zinc/78/00/30/923780030.db2.gz ILJJJZLBAQMBPI-SJORKVTESA-N 2 1 285.391 1.667 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000923366241 923780040 /nfs/dbraw/zinc/78/00/40/923780040.db2.gz ILJJJZLBAQMBPI-SJORKVTESA-N 2 1 285.391 1.667 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001273200484 924482322 /nfs/dbraw/zinc/48/23/22/924482322.db2.gz CCRULDDIHVDWMK-UHFFFAOYSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001494869247 925961043 /nfs/dbraw/zinc/96/10/43/925961043.db2.gz SIOHZGNELZNFJN-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494869247 925961045 /nfs/dbraw/zinc/96/10/45/925961045.db2.gz SIOHZGNELZNFJN-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494869247 925961053 /nfs/dbraw/zinc/96/10/53/925961053.db2.gz SIOHZGNELZNFJN-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CCC=C ZINC001490208381 927010858 /nfs/dbraw/zinc/01/08/58/927010858.db2.gz HYTXNUSDVWNEMM-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CCC=C ZINC001490208381 927010870 /nfs/dbraw/zinc/01/08/70/927010870.db2.gz HYTXNUSDVWNEMM-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC=C ZINC001490208381 927010878 /nfs/dbraw/zinc/01/08/78/927010878.db2.gz HYTXNUSDVWNEMM-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC=C ZINC001490208381 927010890 /nfs/dbraw/zinc/01/08/90/927010890.db2.gz HYTXNUSDVWNEMM-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001493063227 927035621 /nfs/dbraw/zinc/03/56/21/927035621.db2.gz NPQPGMVEKGPNTO-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001493063227 927035634 /nfs/dbraw/zinc/03/56/34/927035634.db2.gz NPQPGMVEKGPNTO-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001319587835 931231685 /nfs/dbraw/zinc/23/16/85/931231685.db2.gz BCQTXFFHRYYDCF-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001319587835 931231692 /nfs/dbraw/zinc/23/16/92/931231692.db2.gz BCQTXFFHRYYDCF-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@H]1c1ccccc1 ZINC000303792259 935044120 /nfs/dbraw/zinc/04/41/20/935044120.db2.gz YIPZTCBNKZGBCY-PMPSAXMXSA-N 2 1 286.423 1.931 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001568633229 1169409009 /nfs/dbraw/zinc/40/90/09/1169409009.db2.gz AIRGAWJYQMWKOI-ZIAGYGMSSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001276611884 940433705 /nfs/dbraw/zinc/43/37/05/940433705.db2.gz LNLUIHXYUNQCSY-JKSUJKDBSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001277094494 941944223 /nfs/dbraw/zinc/94/42/23/941944223.db2.gz XEASWPPCWKDGAD-GJZGRUSLSA-N 2 1 289.423 1.265 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001283340292 942880907 /nfs/dbraw/zinc/88/09/07/942880907.db2.gz HTQCRHPNRGWJEY-INIZCTEOSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC)C(C)C ZINC001283449369 942898744 /nfs/dbraw/zinc/89/87/44/942898744.db2.gz FOZVGHZZFBKHCQ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC)C(C)C ZINC001283449369 942898750 /nfs/dbraw/zinc/89/87/50/942898750.db2.gz FOZVGHZZFBKHCQ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001284070360 943067981 /nfs/dbraw/zinc/06/79/81/943067981.db2.gz SUPFOXQPKPXFRT-RHSMWYFYSA-N 2 1 289.423 1.075 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321994 943147056 /nfs/dbraw/zinc/14/70/56/943147056.db2.gz FCSKLHSEJLRLAW-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001284812705 943262593 /nfs/dbraw/zinc/26/25/93/943262593.db2.gz BKFSJVBJSBDHRB-UHFFFAOYSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001264008239 944062350 /nfs/dbraw/zinc/06/23/50/944062350.db2.gz HVJUOPBSQWRVNF-ILXRZTDVSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001264172643 944094236 /nfs/dbraw/zinc/09/42/36/944094236.db2.gz KMGZGCFYZBGUTK-KFWWJZLASA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001264172643 944094243 /nfs/dbraw/zinc/09/42/43/944094243.db2.gz KMGZGCFYZBGUTK-KFWWJZLASA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001264172643 944094246 /nfs/dbraw/zinc/09/42/46/944094246.db2.gz KMGZGCFYZBGUTK-KFWWJZLASA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001264611518 944153756 /nfs/dbraw/zinc/15/37/56/944153756.db2.gz LARKTIHFOGBPIX-RRFJBIMHSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001265091250 944225345 /nfs/dbraw/zinc/22/53/45/944225345.db2.gz DEFHTAABWZULAO-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@H+](CC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001265123225 944238186 /nfs/dbraw/zinc/23/81/86/944238186.db2.gz GEKWIRJQEWATJN-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001265123225 944238200 /nfs/dbraw/zinc/23/82/00/944238200.db2.gz GEKWIRJQEWATJN-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001265952594 944595197 /nfs/dbraw/zinc/59/51/97/944595197.db2.gz QTRWACCGXHQSSA-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCN(C(=O)C[N@H+]1CC[C@@H](C)C1)C1CC[NH+](CC)CC1 ZINC001278183850 945049042 /nfs/dbraw/zinc/04/90/42/945049042.db2.gz DAYMLKMLMDCGFP-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001480600233 971801902 /nfs/dbraw/zinc/80/19/02/971801902.db2.gz UWFNNRJCSOVCTM-HIFRSBDPSA-N 2 1 275.396 1.570 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001493028425 971927339 /nfs/dbraw/zinc/92/73/39/971927339.db2.gz BMHVFXGRRKSJOJ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001493028425 971927340 /nfs/dbraw/zinc/92/73/40/971927340.db2.gz BMHVFXGRRKSJOJ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001493028425 971927343 /nfs/dbraw/zinc/92/73/43/971927343.db2.gz BMHVFXGRRKSJOJ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001325597785 953979397 /nfs/dbraw/zinc/97/93/97/953979397.db2.gz GDMJDZJTSCFKBI-JKSUJKDBSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001491685036 955355889 /nfs/dbraw/zinc/35/58/89/955355889.db2.gz XAZHFYBBPRPWCJ-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001328588632 955358440 /nfs/dbraw/zinc/35/84/40/955358440.db2.gz IFGIWYBFILVZDP-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001328588632 955358449 /nfs/dbraw/zinc/35/84/49/955358449.db2.gz IFGIWYBFILVZDP-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493971683 972148485 /nfs/dbraw/zinc/14/84/85/972148485.db2.gz PIHAPZYLPQXYTQ-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493971683 972148489 /nfs/dbraw/zinc/14/84/89/972148489.db2.gz PIHAPZYLPQXYTQ-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001329845389 956139576 /nfs/dbraw/zinc/13/95/76/956139576.db2.gz FFFBLJWXDHHTRT-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001329876174 956154604 /nfs/dbraw/zinc/15/46/04/956154604.db2.gz PCTFPNOVBUFCEX-BZUAXINKSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494158515 972190799 /nfs/dbraw/zinc/19/07/99/972190799.db2.gz BBDWUAIGOWERNH-HUUCEWRRSA-N 2 1 281.444 1.539 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001317477811 956635613 /nfs/dbraw/zinc/63/56/13/956635613.db2.gz PWKVFQCJGKTWPF-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001317477811 956635616 /nfs/dbraw/zinc/63/56/16/956635616.db2.gz PWKVFQCJGKTWPF-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001317477811 956635603 /nfs/dbraw/zinc/63/56/03/956635603.db2.gz PWKVFQCJGKTWPF-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001317158584 956990989 /nfs/dbraw/zinc/99/09/89/956990989.db2.gz USGPRQYLNMUXEO-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316775036 957007555 /nfs/dbraw/zinc/00/75/55/957007555.db2.gz PGNSPBADJUDELY-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001494453656 972235744 /nfs/dbraw/zinc/23/57/44/972235744.db2.gz QIFMGTQBWBIJBM-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001494453656 972235750 /nfs/dbraw/zinc/23/57/50/972235750.db2.gz QIFMGTQBWBIJBM-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001331458704 957076923 /nfs/dbraw/zinc/07/69/23/957076923.db2.gz LWOLNPYJVBZTAE-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317077615 957251833 /nfs/dbraw/zinc/25/18/33/957251833.db2.gz CEHPDHCHMVLIEA-YHUYYLMFSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317081425 957256246 /nfs/dbraw/zinc/25/62/46/957256246.db2.gz PIZQKTCDDMWCIE-BZUAXINKSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317100471 957268856 /nfs/dbraw/zinc/26/88/56/957268856.db2.gz RHWLLTDEOKMGII-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100471 957268861 /nfs/dbraw/zinc/26/88/61/957268861.db2.gz RHWLLTDEOKMGII-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100471 957268874 /nfs/dbraw/zinc/26/88/74/957268874.db2.gz RHWLLTDEOKMGII-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001331927225 957340382 /nfs/dbraw/zinc/34/03/82/957340382.db2.gz VZGBOFNEYCCULT-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001332064725 957421413 /nfs/dbraw/zinc/42/14/13/957421413.db2.gz OUARPGXQRLKTTM-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001317421261 957465412 /nfs/dbraw/zinc/46/54/12/957465412.db2.gz ABICVKMCBNDGRT-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317466667 957496409 /nfs/dbraw/zinc/49/64/09/957496409.db2.gz CTMNUYUSJRXJHB-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001425412493 957528399 /nfs/dbraw/zinc/52/83/99/957528399.db2.gz HEMKREHLDVAPCT-JOCQHMNTSA-N 2 1 296.802 1.428 10 30 CDEEMP C=CCC[N@@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001317547972 957544423 /nfs/dbraw/zinc/54/44/23/957544423.db2.gz QXANGQRUFMPWQY-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317555906 957550779 /nfs/dbraw/zinc/55/07/79/957550779.db2.gz YWUZEZPSSRNAPG-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317555906 957550782 /nfs/dbraw/zinc/55/07/82/957550782.db2.gz YWUZEZPSSRNAPG-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317555906 957550788 /nfs/dbraw/zinc/55/07/88/957550788.db2.gz YWUZEZPSSRNAPG-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(CC)CC ZINC001317596022 957589274 /nfs/dbraw/zinc/58/92/74/957589274.db2.gz FDJONNYBBBLROH-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(CC)CC ZINC001317596022 957589283 /nfs/dbraw/zinc/58/92/83/957589283.db2.gz FDJONNYBBBLROH-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001317840955 957690917 /nfs/dbraw/zinc/69/09/17/957690917.db2.gz XZPJNYZRCNKEDS-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317840955 957690923 /nfs/dbraw/zinc/69/09/23/957690923.db2.gz XZPJNYZRCNKEDS-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317840955 957690928 /nfs/dbraw/zinc/69/09/28/957690928.db2.gz XZPJNYZRCNKEDS-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001318169731 957952889 /nfs/dbraw/zinc/95/28/89/957952889.db2.gz SLQVCUBUFGANIK-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(Cl)C[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001368124138 958650216 /nfs/dbraw/zinc/65/02/16/958650216.db2.gz UVEGPUQSJQFQKV-UHFFFAOYSA-N 2 1 287.835 1.661 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001321628164 959881046 /nfs/dbraw/zinc/88/10/46/959881046.db2.gz RNLDUPVUBDLZRK-OCCSQVGLSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001321849386 959983936 /nfs/dbraw/zinc/98/39/36/959983936.db2.gz MYPJZPHZZCGXTD-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001495416324 972493779 /nfs/dbraw/zinc/49/37/79/972493779.db2.gz RWZDOHGGBAZGBF-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+]1CC(N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001324031104 961119946 /nfs/dbraw/zinc/11/99/46/961119946.db2.gz WHXZYZVOWMYRKB-UHFFFAOYSA-N 2 1 277.412 1.028 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001496453139 972927679 /nfs/dbraw/zinc/92/76/79/972927679.db2.gz XPLOZKYFEHSUFA-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001497595437 973427136 /nfs/dbraw/zinc/42/71/36/973427136.db2.gz DPXXYIZOUQQUIP-JFDDCEBESA-N 2 1 291.439 1.841 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497992045 973603279 /nfs/dbraw/zinc/60/32/79/973603279.db2.gz ARLDCFPCFXNSDF-CHWSQXEVSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001498567755 973984626 /nfs/dbraw/zinc/98/46/26/973984626.db2.gz DOPWFYXISWBAMO-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001499615502 974274364 /nfs/dbraw/zinc/27/43/64/974274364.db2.gz DSJAHIMZUYMVBK-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001499615502 974274370 /nfs/dbraw/zinc/27/43/70/974274370.db2.gz DSJAHIMZUYMVBK-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001499615502 974274376 /nfs/dbraw/zinc/27/43/76/974274376.db2.gz DSJAHIMZUYMVBK-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001499845003 974314843 /nfs/dbraw/zinc/31/48/43/974314843.db2.gz TYQGTYCTQWDRGZ-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001500087968 974372288 /nfs/dbraw/zinc/37/22/88/974372288.db2.gz HIESFHFUNVHGDT-FVQBIDKESA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001500397328 974431981 /nfs/dbraw/zinc/43/19/81/974431981.db2.gz UHBOMFNOODBXRZ-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001501404196 974579129 /nfs/dbraw/zinc/57/91/29/974579129.db2.gz OOJWAKPYZORSBL-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001501404196 974579132 /nfs/dbraw/zinc/57/91/32/974579132.db2.gz OOJWAKPYZORSBL-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CCC ZINC001501404196 974579134 /nfs/dbraw/zinc/57/91/34/974579134.db2.gz OOJWAKPYZORSBL-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001377766492 975132461 /nfs/dbraw/zinc/13/24/61/975132461.db2.gz NMRULVVPRTXSDC-ZIAGYGMSSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001377766492 975132463 /nfs/dbraw/zinc/13/24/63/975132463.db2.gz NMRULVVPRTXSDC-ZIAGYGMSSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001377766492 975132465 /nfs/dbraw/zinc/13/24/65/975132465.db2.gz NMRULVVPRTXSDC-ZIAGYGMSSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001393782824 977915073 /nfs/dbraw/zinc/91/50/73/977915073.db2.gz HMAJNKQBSXRVLM-STQMWFEESA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001393782824 977915078 /nfs/dbraw/zinc/91/50/78/977915078.db2.gz HMAJNKQBSXRVLM-STQMWFEESA-N 2 1 287.835 1.660 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001677033431 1174309495 /nfs/dbraw/zinc/30/94/95/1174309495.db2.gz ZIYDRKMISGCIFB-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571700226 1170526193 /nfs/dbraw/zinc/52/61/93/1170526193.db2.gz VFOVYIYSBBTQII-MRXNPFEDSA-N 2 1 291.439 1.653 10 30 CDEEMP C=CCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001571700226 1170526200 /nfs/dbraw/zinc/52/62/00/1170526200.db2.gz VFOVYIYSBBTQII-MRXNPFEDSA-N 2 1 291.439 1.653 10 30 CDEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001571700226 1170526206 /nfs/dbraw/zinc/52/62/06/1170526206.db2.gz VFOVYIYSBBTQII-MRXNPFEDSA-N 2 1 291.439 1.653 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001656135525 1171775719 /nfs/dbraw/zinc/77/57/19/1171775719.db2.gz QDUMLXNVODHGGK-XUWVNRHRSA-N 2 1 291.439 1.224 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000594439420 342906815 /nfs/dbraw/zinc/90/68/15/342906815.db2.gz VTOPSCASUCYWMT-KGLIPLIRSA-N 2 1 278.400 1.094 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000594439420 342906816 /nfs/dbraw/zinc/90/68/16/342906816.db2.gz VTOPSCASUCYWMT-KGLIPLIRSA-N 2 1 278.400 1.094 10 30 CDEEMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440652 342907130 /nfs/dbraw/zinc/90/71/30/342907130.db2.gz HJQAUYWMZOKEMJ-UONOGXRCSA-N 2 1 280.416 1.198 10 30 CDEEMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600716788 342244314 /nfs/dbraw/zinc/24/43/14/342244314.db2.gz MJJSMGHPZMODKC-OWCLPIDISA-N 2 1 293.455 1.999 10 30 CDEEMP C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507336 345679245 /nfs/dbraw/zinc/67/92/45/345679245.db2.gz RZWCIPUEDHRICS-GJZGRUSLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507336 345679248 /nfs/dbraw/zinc/67/92/48/345679248.db2.gz RZWCIPUEDHRICS-GJZGRUSLSA-N 2 1 283.460 1.977 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C#N)ccn1 ZINC000596364646 358660458 /nfs/dbraw/zinc/66/04/58/358660458.db2.gz QKDVBFAOSJXQRW-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C#N)ccn1 ZINC000596364646 358660459 /nfs/dbraw/zinc/66/04/59/358660459.db2.gz QKDVBFAOSJXQRW-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C[C@H](CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574162306 371699641 /nfs/dbraw/zinc/69/96/41/371699641.db2.gz GHAKUNGNLVMUES-VPSFDDGASA-N 2 1 290.455 1.921 10 30 CDEEMP CC#CCN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195278649 378550927 /nfs/dbraw/zinc/55/09/27/378550927.db2.gz DYYWDYAKVXAYEH-MRXNPFEDSA-N 2 1 257.381 1.859 10 30 CDEEMP CC#CCN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195278649 378550930 /nfs/dbraw/zinc/55/09/30/378550930.db2.gz DYYWDYAKVXAYEH-MRXNPFEDSA-N 2 1 257.381 1.859 10 30 CDEEMP C[N@H+]1CC[C@]2(CC[NH+](CCCSCC#N)C2)C1 ZINC000368317624 390945249 /nfs/dbraw/zinc/94/52/49/390945249.db2.gz MZZWQHGICWPSKU-ZDUSSCGKSA-N 2 1 253.415 1.661 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@H+](CCCSCC#N)C2)C1 ZINC000368317624 390945250 /nfs/dbraw/zinc/94/52/50/390945250.db2.gz MZZWQHGICWPSKU-ZDUSSCGKSA-N 2 1 253.415 1.661 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@@H+](CCCSCC#N)C2)C1 ZINC000368317624 390945251 /nfs/dbraw/zinc/94/52/51/390945251.db2.gz MZZWQHGICWPSKU-ZDUSSCGKSA-N 2 1 253.415 1.661 10 30 CDEEMP C[N@H+](CCOCCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000339006125 391240070 /nfs/dbraw/zinc/24/00/70/391240070.db2.gz UIZRNTSDZYLGKO-AWEZNQCLSA-N 2 1 253.390 1.723 10 30 CDEEMP C[N@@H+](CCOCCC#N)CC[C@@H]1CCCC[NH+]1C ZINC000339006125 391240074 /nfs/dbraw/zinc/24/00/74/391240074.db2.gz UIZRNTSDZYLGKO-AWEZNQCLSA-N 2 1 253.390 1.723 10 30 CDEEMP C[NH+](CCOCCC#N)CC[C@@H]1CCCC[N@@H+]1C ZINC000339006125 391240076 /nfs/dbraw/zinc/24/00/76/391240076.db2.gz UIZRNTSDZYLGKO-AWEZNQCLSA-N 2 1 253.390 1.723 10 30 CDEEMP C[NH+](CCOCCC#N)CC[C@@H]1CCCC[N@H+]1C ZINC000339006125 391240081 /nfs/dbraw/zinc/24/00/81/391240081.db2.gz UIZRNTSDZYLGKO-AWEZNQCLSA-N 2 1 253.390 1.723 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001664872657 1172921918 /nfs/dbraw/zinc/92/19/18/1172921918.db2.gz HAAUWOROFBWTIE-CHWSQXEVSA-N 2 1 254.374 1.071 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H]1COC(C)(C)O1 ZINC001664872657 1172921922 /nfs/dbraw/zinc/92/19/22/1172921922.db2.gz HAAUWOROFBWTIE-CHWSQXEVSA-N 2 1 254.374 1.071 10 30 CDEEMP C=CCNC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294091 414620740 /nfs/dbraw/zinc/62/07/40/414620740.db2.gz IUCBBPLGQPCANB-CQSZACIVSA-N 2 1 265.401 1.000 10 30 CDEEMP CC[C@H]1COCC[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683766 175091815 /nfs/dbraw/zinc/09/18/15/175091815.db2.gz ZVAZKUYVKBAMCQ-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP CC[C@H]1COCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683766 175091816 /nfs/dbraw/zinc/09/18/16/175091816.db2.gz ZVAZKUYVKBAMCQ-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000662710341 424356159 /nfs/dbraw/zinc/35/61/59/424356159.db2.gz GYSMGCLIEHGKHD-CQSZACIVSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001669812304 1173612741 /nfs/dbraw/zinc/61/27/41/1173612741.db2.gz XSRCFAHLVVTABZ-ZFWWWQNUSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564865 1173690032 /nfs/dbraw/zinc/69/00/32/1173690032.db2.gz ZDGQLBZEUIKBLC-ZBFHGGJFSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001673380290 1173851273 /nfs/dbraw/zinc/85/12/73/1173851273.db2.gz KDLMLRUZTAYTPM-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001673380290 1173851278 /nfs/dbraw/zinc/85/12/78/1173851278.db2.gz KDLMLRUZTAYTPM-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261663381 329975506 /nfs/dbraw/zinc/97/55/06/329975506.db2.gz GEKREARSSWLVIT-AWEZNQCLSA-N 2 1 294.443 1.159 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001267203858 1159173346 /nfs/dbraw/zinc/17/33/46/1159173346.db2.gz ZNDHNSUJVSJNTP-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267203858 1159173350 /nfs/dbraw/zinc/17/33/50/1159173350.db2.gz ZNDHNSUJVSJNTP-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001267203858 1159173351 /nfs/dbraw/zinc/17/33/51/1159173351.db2.gz ZNDHNSUJVSJNTP-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001725495100 1159245954 /nfs/dbraw/zinc/24/59/54/1159245954.db2.gz LPLWVMGDKWPPLX-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267776807 1159597104 /nfs/dbraw/zinc/59/71/04/1159597104.db2.gz NDGLBERDFWKXIP-UONOGXRCSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482354210 1160169427 /nfs/dbraw/zinc/16/94/27/1160169427.db2.gz PDFDSWGVDCYFLO-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001485811946 1161294370 /nfs/dbraw/zinc/29/43/70/1161294370.db2.gz RRYYNWBVTZWMBY-FVQBIDKESA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001725506099 1182028941 /nfs/dbraw/zinc/02/89/41/1182028941.db2.gz SRADDAGUZNFXCF-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001734041050 1183631264 /nfs/dbraw/zinc/63/12/64/1183631264.db2.gz SLRHQIKKLWHXJH-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001734041050 1183631267 /nfs/dbraw/zinc/63/12/67/1183631267.db2.gz SLRHQIKKLWHXJH-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[NH+]1CCSCC1 ZINC000049608768 523514432 /nfs/dbraw/zinc/51/44/32/523514432.db2.gz HAOMONAWMWVYQK-UHFFFAOYSA-N 2 1 276.405 1.554 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001689348654 1175150205 /nfs/dbraw/zinc/15/02/05/1175150205.db2.gz DTWPPHQMYDSHGG-LSDHHAIUSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690092940 1175371592 /nfs/dbraw/zinc/37/15/92/1175371592.db2.gz CNQLIBBFBXMFJR-KBPBESRZSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001690199072 1175402271 /nfs/dbraw/zinc/40/22/71/1175402271.db2.gz JAFRSNMIPZXVGV-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001690199072 1175402278 /nfs/dbraw/zinc/40/22/78/1175402278.db2.gz JAFRSNMIPZXVGV-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001690199072 1175402282 /nfs/dbraw/zinc/40/22/82/1175402282.db2.gz JAFRSNMIPZXVGV-JKSUJKDBSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001690211815 1175405370 /nfs/dbraw/zinc/40/53/70/1175405370.db2.gz ORZUOBHTJDEEQL-OKILXGFUSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000894633150 618998576 /nfs/dbraw/zinc/99/85/76/618998576.db2.gz WVYHZONBPCGVRU-NWDGAFQWSA-N 2 1 273.218 1.705 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C[C@@]1(C)Br ZINC000894633150 618998579 /nfs/dbraw/zinc/99/85/79/618998579.db2.gz WVYHZONBPCGVRU-NWDGAFQWSA-N 2 1 273.218 1.705 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000900204724 622801177 /nfs/dbraw/zinc/80/11/77/622801177.db2.gz OADYZRXSLBZICV-DZGCQCFKSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000900726164 623411487 /nfs/dbraw/zinc/41/14/87/623411487.db2.gz SJXNLUXIENGUFZ-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000900824977 623533386 /nfs/dbraw/zinc/53/33/86/623533386.db2.gz QHUYIVVYUYRLHS-KBPBESRZSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000905096998 626637650 /nfs/dbraw/zinc/63/76/50/626637650.db2.gz NRKDVHSNCOATPE-INIZCTEOSA-N 2 1 296.455 1.673 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690982198 1158512982 /nfs/dbraw/zinc/51/29/82/1158512982.db2.gz SPVULZBTEWDQMK-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001690982198 1158512984 /nfs/dbraw/zinc/51/29/84/1158512984.db2.gz SPVULZBTEWDQMK-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001690982198 1158512987 /nfs/dbraw/zinc/51/29/87/1158512987.db2.gz SPVULZBTEWDQMK-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001692021136 1158951768 /nfs/dbraw/zinc/95/17/68/1158951768.db2.gz VJHHHXIXTFDMLO-UHFFFAOYSA-N 2 1 293.455 1.685 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CCC ZINC001691378736 1159044100 /nfs/dbraw/zinc/04/41/00/1159044100.db2.gz PVEHKMYNEDBDKB-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001670701412 1158698439 /nfs/dbraw/zinc/69/84/39/1158698439.db2.gz RHWLWXWCHAIDJO-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001267203857 1159174059 /nfs/dbraw/zinc/17/40/59/1159174059.db2.gz ZNDHNSUJVSJNTP-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001267203857 1159174062 /nfs/dbraw/zinc/17/40/62/1159174062.db2.gz ZNDHNSUJVSJNTP-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001267203857 1159174067 /nfs/dbraw/zinc/17/40/67/1159174067.db2.gz ZNDHNSUJVSJNTP-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](CC)C(C)C ZINC000876750901 1165909925 /nfs/dbraw/zinc/90/99/25/1165909925.db2.gz YWNGOMPIVVCPGA-LLVKDONJSA-N 2 1 261.797 1.303 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C2CCC2)CC1 ZINC000876765625 1165911875 /nfs/dbraw/zinc/91/18/75/1165911875.db2.gz URIFMZWADTXDJS-LBPRGKRZSA-N 2 1 271.792 1.153 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000877206963 1165995389 /nfs/dbraw/zinc/99/53/89/1165995389.db2.gz TWRWUDAKLQQRLE-NSHDSACASA-N 2 1 273.808 1.399 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC001637612118 1166772688 /nfs/dbraw/zinc/77/26/88/1166772688.db2.gz IVFYEHSXQQTTLW-STQMWFEESA-N 2 1 253.390 1.045 10 30 CDEEMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001566694850 1168389589 /nfs/dbraw/zinc/38/95/89/1168389589.db2.gz OZBAADJDNWUNNY-HNNXBMFYSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567216261 1168625749 /nfs/dbraw/zinc/62/57/49/1168625749.db2.gz PRYRCUMRPIHLEE-MGPQQGTHSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567925130 1169076157 /nfs/dbraw/zinc/07/61/57/1169076157.db2.gz WVHPZGZZDBKRAW-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCn2cc[nH+]c2C)C1 ZINC001567925130 1169076168 /nfs/dbraw/zinc/07/61/68/1169076168.db2.gz WVHPZGZZDBKRAW-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001569270180 1169742628 /nfs/dbraw/zinc/74/26/28/1169742628.db2.gz LQTKUNZIRDFIBK-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C=CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001569921279 1170036213 /nfs/dbraw/zinc/03/62/13/1170036213.db2.gz IMGNJKNHHCTHPB-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001569921279 1170036217 /nfs/dbraw/zinc/03/62/17/1170036217.db2.gz IMGNJKNHHCTHPB-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001569921279 1170036225 /nfs/dbraw/zinc/03/62/25/1170036225.db2.gz IMGNJKNHHCTHPB-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001664370075 1172845880 /nfs/dbraw/zinc/84/58/80/1172845880.db2.gz WNVAWGXANNXZSI-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664759693 1172904997 /nfs/dbraw/zinc/90/49/97/1172904997.db2.gz BCMMGFYJIHXOJI-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664759693 1172905002 /nfs/dbraw/zinc/90/50/02/1172905002.db2.gz BCMMGFYJIHXOJI-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001664849590 1172920755 /nfs/dbraw/zinc/92/07/55/1172920755.db2.gz RTRVLSXDGFWCLK-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001664849590 1172920760 /nfs/dbraw/zinc/92/07/60/1172920760.db2.gz RTRVLSXDGFWCLK-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001664849590 1172920769 /nfs/dbraw/zinc/92/07/69/1172920769.db2.gz RTRVLSXDGFWCLK-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001673380290 1173851269 /nfs/dbraw/zinc/85/12/69/1173851269.db2.gz KDLMLRUZTAYTPM-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677263352 1174341787 /nfs/dbraw/zinc/34/17/87/1174341787.db2.gz PNHAIEUOXDTQIN-KGLIPLIRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001689083649 1175095864 /nfs/dbraw/zinc/09/58/64/1175095864.db2.gz NUSBCRSCLYQAOZ-ILXRZTDVSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001690456503 1175475440 /nfs/dbraw/zinc/47/54/40/1175475440.db2.gz BMZZHJBGHLKIOS-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001690456503 1175475444 /nfs/dbraw/zinc/47/54/44/1175475444.db2.gz BMZZHJBGHLKIOS-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001690456503 1175475448 /nfs/dbraw/zinc/47/54/48/1175475448.db2.gz BMZZHJBGHLKIOS-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001690653047 1175538709 /nfs/dbraw/zinc/53/87/09/1175538709.db2.gz ZYLUWUKDZJWVLF-HNNXBMFYSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001690653047 1175538712 /nfs/dbraw/zinc/53/87/12/1175538712.db2.gz ZYLUWUKDZJWVLF-HNNXBMFYSA-N 2 1 287.407 1.236 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001690687308 1175545262 /nfs/dbraw/zinc/54/52/62/1175545262.db2.gz RBPDFBYWSVPPPU-ZFWWWQNUSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001691790270 1175627292 /nfs/dbraw/zinc/62/72/92/1175627292.db2.gz NTNXXLKXVQPMHR-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001691975720 1175659843 /nfs/dbraw/zinc/65/98/43/1175659843.db2.gz KFACJQPNSFQHML-HNNXBMFYSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC(C)(C)C1 ZINC001692280138 1175723365 /nfs/dbraw/zinc/72/33/65/1175723365.db2.gz PQNACEMVAHEURQ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001692280138 1175723369 /nfs/dbraw/zinc/72/33/69/1175723369.db2.gz PQNACEMVAHEURQ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001692280138 1175723373 /nfs/dbraw/zinc/72/33/73/1175723373.db2.gz PQNACEMVAHEURQ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001692352000 1175745374 /nfs/dbraw/zinc/74/53/74/1175745374.db2.gz JCPGVJNQMVMSHX-INIZCTEOSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001698944310 1175991517 /nfs/dbraw/zinc/99/15/17/1175991517.db2.gz GNQNGECKPVGDLB-DZGCQCFKSA-N 2 1 288.395 1.041 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699182056 1176130503 /nfs/dbraw/zinc/13/05/03/1176130503.db2.gz ZUAJWDDUFJWTBX-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001699762251 1176612517 /nfs/dbraw/zinc/61/25/17/1176612517.db2.gz ORGCSJRSGJMYMS-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001699837517 1176650630 /nfs/dbraw/zinc/65/06/30/1176650630.db2.gz PZCKDLTXCPBJSR-DOTOQJQBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)CC[N@@H+](C)CC ZINC001700119430 1176755925 /nfs/dbraw/zinc/75/59/25/1176755925.db2.gz WNXUZCJVBXFFHT-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+]1CCOC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001700119430 1176755930 /nfs/dbraw/zinc/75/59/30/1176755930.db2.gz WNXUZCJVBXFFHT-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001700119430 1176755935 /nfs/dbraw/zinc/75/59/35/1176755935.db2.gz WNXUZCJVBXFFHT-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+]1CCOC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001700119430 1176755942 /nfs/dbraw/zinc/75/59/42/1176755942.db2.gz WNXUZCJVBXFFHT-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700480565 1176969597 /nfs/dbraw/zinc/96/95/97/1176969597.db2.gz KVQDQNBXWRYSJU-CQSZACIVSA-N 2 1 289.423 1.984 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001701006571 1177236841 /nfs/dbraw/zinc/23/68/41/1177236841.db2.gz KNCBTZRKNJZQAR-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001713112111 1178373539 /nfs/dbraw/zinc/37/35/39/1178373539.db2.gz FYXWDFZXXRFGDE-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278137 1178462847 /nfs/dbraw/zinc/46/28/47/1178462847.db2.gz REWWEEUSDYRXQD-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCCC1 ZINC001713316248 1178493326 /nfs/dbraw/zinc/49/33/26/1178493326.db2.gz NJOQZJYWPKXUNF-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCCC1 ZINC001713316248 1178493329 /nfs/dbraw/zinc/49/33/29/1178493329.db2.gz NJOQZJYWPKXUNF-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001713411848 1178546364 /nfs/dbraw/zinc/54/63/64/1178546364.db2.gz TUNNTCLVNJQBOV-GFCCVEGCSA-N 2 1 294.399 1.410 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001713411978 1178546465 /nfs/dbraw/zinc/54/64/65/1178546465.db2.gz YCVWPBLAYBHEHW-LLVKDONJSA-N 2 1 280.372 1.020 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)CCc2cnc[nH]2)C1 ZINC001713906367 1178836374 /nfs/dbraw/zinc/83/63/74/1178836374.db2.gz RDVXERFLSUARPJ-UHFFFAOYSA-N 2 1 276.384 1.357 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001714149566 1178993274 /nfs/dbraw/zinc/99/32/74/1178993274.db2.gz ZDGVVNOQJNYWGY-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714446672 1179143400 /nfs/dbraw/zinc/14/34/00/1179143400.db2.gz VWXAJOWZIIWBJC-HZPDHXFCSA-N 2 1 293.455 1.519 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[NH+](C)C(C)C ZINC001714661106 1179306122 /nfs/dbraw/zinc/30/61/22/1179306122.db2.gz ZPKSQSFIAPTOCI-UHFFFAOYSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@H+](C)C(C)C ZINC001714661106 1179306133 /nfs/dbraw/zinc/30/61/33/1179306133.db2.gz ZPKSQSFIAPTOCI-UHFFFAOYSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@@H+](C)C(C)C ZINC001714661106 1179306138 /nfs/dbraw/zinc/30/61/38/1179306138.db2.gz ZPKSQSFIAPTOCI-UHFFFAOYSA-N 2 1 267.417 1.178 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001714867251 1179428576 /nfs/dbraw/zinc/42/85/76/1179428576.db2.gz NMCCZHCESKUSQU-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714867251 1179428580 /nfs/dbraw/zinc/42/85/80/1179428580.db2.gz NMCCZHCESKUSQU-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714867251 1179428582 /nfs/dbraw/zinc/42/85/82/1179428582.db2.gz NMCCZHCESKUSQU-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001714906645 1179446650 /nfs/dbraw/zinc/44/66/50/1179446650.db2.gz UMFYOPFBDVCGKA-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001714906645 1179446655 /nfs/dbraw/zinc/44/66/55/1179446655.db2.gz UMFYOPFBDVCGKA-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001714906645 1179446661 /nfs/dbraw/zinc/44/66/61/1179446661.db2.gz UMFYOPFBDVCGKA-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714906815 1179447277 /nfs/dbraw/zinc/44/72/77/1179447277.db2.gz GEHBXIOPMZZPIN-MRXNPFEDSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001715066800 1179537379 /nfs/dbraw/zinc/53/73/79/1179537379.db2.gz YCOIZTVVZDSPHM-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001715200772 1179575176 /nfs/dbraw/zinc/57/51/76/1179575176.db2.gz QBYHWXZBRDMPSC-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001715591427 1179727569 /nfs/dbraw/zinc/72/75/69/1179727569.db2.gz AYBKLMHTSYJLRF-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001715652797 1179753376 /nfs/dbraw/zinc/75/33/76/1179753376.db2.gz KQTKZRMFVZAUHF-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001715729515 1179781971 /nfs/dbraw/zinc/78/19/71/1179781971.db2.gz MTLSBZZPYJWNOQ-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001716174066 1180083896 /nfs/dbraw/zinc/08/38/96/1180083896.db2.gz KKTXRMNXLGNQRR-CZUORRHYSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@H+](C)CCC)C[C@@]2(C)C1 ZINC001717632974 1180765260 /nfs/dbraw/zinc/76/52/60/1180765260.db2.gz XYSSYZDKKVXSMI-CALCHBBNSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001717632974 1180765265 /nfs/dbraw/zinc/76/52/65/1180765265.db2.gz XYSSYZDKKVXSMI-CALCHBBNSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001717705432 1180796904 /nfs/dbraw/zinc/79/69/04/1180796904.db2.gz FWFGAWBPWQRCSA-UHFFFAOYSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001717705432 1180796912 /nfs/dbraw/zinc/79/69/12/1180796912.db2.gz FWFGAWBPWQRCSA-UHFFFAOYSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001717705432 1180796918 /nfs/dbraw/zinc/79/69/18/1180796918.db2.gz FWFGAWBPWQRCSA-UHFFFAOYSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001717753717 1180831947 /nfs/dbraw/zinc/83/19/47/1180831947.db2.gz GHFNQUDATSLWJG-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001717859893 1180897487 /nfs/dbraw/zinc/89/74/87/1180897487.db2.gz GIWFPPAACPRMLN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717859893 1180897493 /nfs/dbraw/zinc/89/74/93/1180897493.db2.gz GIWFPPAACPRMLN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001717859893 1180897503 /nfs/dbraw/zinc/89/75/03/1180897503.db2.gz GIWFPPAACPRMLN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)C)C1CC1 ZINC001723299818 1181535188 /nfs/dbraw/zinc/53/51/88/1181535188.db2.gz FNBVSYOATAGCGS-CVEARBPZSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=C)C)C1CC1 ZINC001723299818 1181535192 /nfs/dbraw/zinc/53/51/92/1181535192.db2.gz FNBVSYOATAGCGS-CVEARBPZSA-N 2 1 289.423 1.145 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001724974780 1181810611 /nfs/dbraw/zinc/81/06/11/1181810611.db2.gz OXSCQSVKEMDGAW-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001725002903 1181820215 /nfs/dbraw/zinc/82/02/15/1181820215.db2.gz MQVMWRFHWKLDIW-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001725002903 1181820220 /nfs/dbraw/zinc/82/02/20/1181820220.db2.gz MQVMWRFHWKLDIW-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001725002903 1181820222 /nfs/dbraw/zinc/82/02/22/1181820222.db2.gz MQVMWRFHWKLDIW-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCOCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001725171035 1181903094 /nfs/dbraw/zinc/90/30/94/1181903094.db2.gz CZZUSABEPPITMI-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001725171035 1181903098 /nfs/dbraw/zinc/90/30/98/1181903098.db2.gz CZZUSABEPPITMI-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001725171035 1181903100 /nfs/dbraw/zinc/90/31/00/1181903100.db2.gz CZZUSABEPPITMI-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725184719 1181912272 /nfs/dbraw/zinc/91/22/72/1181912272.db2.gz AATSBPXSOVGGCW-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725184719 1181912276 /nfs/dbraw/zinc/91/22/76/1181912276.db2.gz AATSBPXSOVGGCW-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001725184719 1181912282 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CDEEMP C=CCNC(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156694 787892428 /nfs/dbraw/zinc/89/24/28/787892428.db2.gz CJHUCFZRRIOULS-ZBFHGGJFSA-N 2 1 293.455 1.908 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)nn1 ZINC000923495149 788024300 /nfs/dbraw/zinc/02/43/00/788024300.db2.gz ULLIUMBZPYIIGT-CHWSQXEVSA-N 2 1 263.389 1.271 10 30 CDEEMP CCCNC(N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)=[NH+]CC ZINC000261962010 788084798 /nfs/dbraw/zinc/08/47/98/788084798.db2.gz KJFHZKGJLFKEKC-CHWSQXEVSA-N 2 1 254.422 1.680 10 30 CDEEMP CCNC(NC[C@@H]1CC[N@H+]1C1CCCCC1)=[NH+]CC ZINC000864357386 788734777 /nfs/dbraw/zinc/73/47/77/788734777.db2.gz VQJYJYFFFJEZTA-AWEZNQCLSA-N 2 1 266.433 1.968 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862562 789338013 /nfs/dbraw/zinc/33/80/13/789338013.db2.gz BIXPUEHGCGRTML-MRXNPFEDSA-N 2 1 291.439 1.226 10 30 CDEEMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCC[C@@H](C)C1 ZINC000852858828 789838782 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1 293.455 1.968 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568171573 1168095846 /nfs/dbraw/zinc/09/58/46/1168095846.db2.gz DBWMAISZWWQXNI-SOUVJXGZSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001566745099 1168406211 /nfs/dbraw/zinc/40/62/11/1168406211.db2.gz GDCYLCUXSGYLRZ-ZDUSSCGKSA-N 2 1 276.384 1.309 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001272292069 912709089 /nfs/dbraw/zinc/70/90/89/912709089.db2.gz UNQATKJIVGHAIZ-ZIAGYGMSSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001567177652 1168606557 /nfs/dbraw/zinc/60/65/57/1168606557.db2.gz GCLREAOVSIZKRJ-CABCVRRESA-N 2 1 290.411 1.785 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483742501 913571925 /nfs/dbraw/zinc/57/19/25/913571925.db2.gz KYFYHENMUWKFJO-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001567409767 1168740798 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C=CCC[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001282014796 942645190 /nfs/dbraw/zinc/64/51/90/942645190.db2.gz KKORVDFCRZXKJS-UHFFFAOYSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001284025458 943052958 /nfs/dbraw/zinc/05/29/58/943052958.db2.gz KZPXHTSYTWDUEI-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001284068168 943068078 /nfs/dbraw/zinc/06/80/78/943068078.db2.gz DFYUNTVTHVHFBX-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001284068168 943068086 /nfs/dbraw/zinc/06/80/86/943068086.db2.gz DFYUNTVTHVHFBX-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001284068168 943068093 /nfs/dbraw/zinc/06/80/93/943068093.db2.gz DFYUNTVTHVHFBX-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001284059291 943068258 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C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266011436 944628418 /nfs/dbraw/zinc/62/84/18/944628418.db2.gz WDVBHJLUHIURJL-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001266020248 944636171 /nfs/dbraw/zinc/63/61/71/944636171.db2.gz FYEOFCZJGJFVBY-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001266151964 944717888 /nfs/dbraw/zinc/71/78/88/944717888.db2.gz JJHGNKTZWBRWGZ-AMVTZNPPSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/Cl ZINC001266151964 944717893 /nfs/dbraw/zinc/71/78/93/944717893.db2.gz JJHGNKTZWBRWGZ-AMVTZNPPSA-N 2 1 297.830 1.321 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)Cn1ccnc1C)C1CC1 ZINC001266174704 944733383 /nfs/dbraw/zinc/73/33/83/944733383.db2.gz RERNTEZMNLODST-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP CC#CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001266174704 944733390 /nfs/dbraw/zinc/73/33/90/944733390.db2.gz RERNTEZMNLODST-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001266174704 944733396 /nfs/dbraw/zinc/73/33/96/944733396.db2.gz RERNTEZMNLODST-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001479384357 971316400 /nfs/dbraw/zinc/31/64/00/971316400.db2.gz QXEXSLBJZLRJFJ-JOCQHMNTSA-N 2 1 296.802 1.428 10 30 CDEEMP C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001278403117 947622917 /nfs/dbraw/zinc/62/29/17/947622917.db2.gz GOCRRVUNMRZXDT-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001480238290 971641397 /nfs/dbraw/zinc/64/13/97/971641397.db2.gz QUXAFIYFHZZGMA-BETUJISGSA-N 2 1 253.390 1.140 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001480331103 971674969 /nfs/dbraw/zinc/67/49/69/971674969.db2.gz GGZHSKFELYWLQY-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001480331103 971674972 /nfs/dbraw/zinc/67/49/72/971674972.db2.gz GGZHSKFELYWLQY-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001480331103 971674976 /nfs/dbraw/zinc/67/49/76/971674976.db2.gz GGZHSKFELYWLQY-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001316663868 955178308 /nfs/dbraw/zinc/17/83/08/955178308.db2.gz ILPZQCIJAIGUHS-HRCADAONSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001491580172 955298855 /nfs/dbraw/zinc/29/88/55/955298855.db2.gz RHYDJVVSVQPGMN-JSGCOSHPSA-N 2 1 290.411 1.424 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001328673947 955409381 /nfs/dbraw/zinc/40/93/81/955409381.db2.gz HWLWVSCUFSOGML-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491772718 955413797 /nfs/dbraw/zinc/41/37/97/955413797.db2.gz YUYWPMZZPMCOMU-IRXDYDNUSA-N 2 1 299.418 1.503 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001422294924 955923396 /nfs/dbraw/zinc/92/33/96/955923396.db2.gz XLKXNQUSJREVIZ-UHFFFAOYSA-N 2 1 287.835 1.564 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493971684 972148751 /nfs/dbraw/zinc/14/87/51/972148751.db2.gz PIHAPZYLPQXYTQ-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001493971684 972148753 /nfs/dbraw/zinc/14/87/53/972148753.db2.gz PIHAPZYLPQXYTQ-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001330230939 956338339 /nfs/dbraw/zinc/33/83/39/956338339.db2.gz UFRIQXCASPMHMP-CQSZACIVSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001423097974 956582121 /nfs/dbraw/zinc/58/21/21/956582121.db2.gz JNSWSGJDJBZUFA-LLVKDONJSA-N 2 1 284.791 1.381 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001316928098 957129748 /nfs/dbraw/zinc/12/97/48/957129748.db2.gz ZIDXWGNHJNYEHZ-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001316928098 957129755 /nfs/dbraw/zinc/12/97/55/957129755.db2.gz ZIDXWGNHJNYEHZ-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001317077493 957252434 /nfs/dbraw/zinc/25/24/34/957252434.db2.gz HPCFOVXTMSITRT-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317153693 957308921 /nfs/dbraw/zinc/30/89/21/957308921.db2.gz GSYUEGAGKIHHPF-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317555851 957552542 /nfs/dbraw/zinc/55/25/42/957552542.db2.gz XJPQCGJJEVPCIQ-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317555851 957552549 /nfs/dbraw/zinc/55/25/49/957552549.db2.gz XJPQCGJJEVPCIQ-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001317555851 957552557 /nfs/dbraw/zinc/55/25/57/957552557.db2.gz XJPQCGJJEVPCIQ-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001317598054 957590568 /nfs/dbraw/zinc/59/05/68/957590568.db2.gz FXQKJQNOXMQCCQ-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001318482648 958126288 /nfs/dbraw/zinc/12/62/88/958126288.db2.gz LADDPZAFGSGICF-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318482648 958126297 /nfs/dbraw/zinc/12/62/97/958126297.db2.gz LADDPZAFGSGICF-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318482648 958126305 /nfs/dbraw/zinc/12/63/05/958126305.db2.gz LADDPZAFGSGICF-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001318851539 958281164 /nfs/dbraw/zinc/28/11/64/958281164.db2.gz RURWYGWOEDINAV-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001319255912 958460076 /nfs/dbraw/zinc/46/00/76/958460076.db2.gz BMLPSTFIRYDJBP-STQMWFEESA-N 2 1 278.400 1.506 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001319539723 958617995 /nfs/dbraw/zinc/61/79/95/958617995.db2.gz HVMFPNWUAQYBLP-CQSZACIVSA-N 2 1 290.411 1.466 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001319594973 958646611 /nfs/dbraw/zinc/64/66/11/958646611.db2.gz XUSGAYFHKACERH-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001319594977 958646842 /nfs/dbraw/zinc/64/68/42/958646842.db2.gz XUSGAYFHKACERH-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001320548173 959232586 /nfs/dbraw/zinc/23/25/86/959232586.db2.gz JPANIHGVKFFCJP-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001321419334 959776762 /nfs/dbraw/zinc/77/67/62/959776762.db2.gz OVTLZHRWCWTMPA-XHPSBEMXSA-N 2 1 279.428 1.699 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001322197105 960130154 /nfs/dbraw/zinc/13/01/54/960130154.db2.gz QMMUABXNSDUTDF-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001467728547 970097216 /nfs/dbraw/zinc/09/72/16/970097216.db2.gz KVKAGJYJDPBVFP-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001467728547 970097227 /nfs/dbraw/zinc/09/72/27/970097227.db2.gz KVKAGJYJDPBVFP-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001467728547 970097237 /nfs/dbraw/zinc/09/72/37/970097237.db2.gz KVKAGJYJDPBVFP-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001496603482 972985935 /nfs/dbraw/zinc/98/59/35/972985935.db2.gz SGORHQJWTSABSQ-KGLIPLIRSA-N 2 1 267.417 1.245 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497255393 973264465 /nfs/dbraw/zinc/26/44/65/973264465.db2.gz LZETYVXTDSPMIX-KKUMJFAQSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001497621955 973438375 /nfs/dbraw/zinc/43/83/75/973438375.db2.gz TXYMQOTZCVWCLA-WAYWQWQTSA-N 2 1 292.383 1.188 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001505920697 975044732 /nfs/dbraw/zinc/04/47/32/975044732.db2.gz RSLMMJVCVKWEAW-HOCLYGCPSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001506859380 975238117 /nfs/dbraw/zinc/23/81/17/975238117.db2.gz UMNQLHPACPNAQA-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@H](CCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001506987999 975284936 /nfs/dbraw/zinc/28/49/36/975284936.db2.gz FWZVLDZYWXWIEQ-OAHLLOKOSA-N 2 1 292.427 1.888 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001507079822 975328185 /nfs/dbraw/zinc/32/81/85/975328185.db2.gz OWUDMNHJGOQBQO-YNEHKIRRSA-N 2 1 287.835 1.516 10 30 CDEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001508141141 975622977 /nfs/dbraw/zinc/62/29/77/975622977.db2.gz OMCNTRKINGYWAP-FHERZECASA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001380262112 976317142 /nfs/dbraw/zinc/31/71/42/976317142.db2.gz FFQCRGMMDDEHAQ-HZSPNIEDSA-N 2 1 299.846 1.660 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001399226028 976388748 /nfs/dbraw/zinc/38/87/48/976388748.db2.gz HZRJRFXOGUVZQN-KGLIPLIRSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001492974770 976940886 /nfs/dbraw/zinc/94/08/86/976940886.db2.gz QXHMPVOYWFNWNG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001492974770 976940894 /nfs/dbraw/zinc/94/08/94/976940894.db2.gz QXHMPVOYWFNWNG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001492974770 976940901 /nfs/dbraw/zinc/94/09/01/976940901.db2.gz QXHMPVOYWFNWNG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+](C)C ZINC001674496341 1173954285 /nfs/dbraw/zinc/95/42/85/1173954285.db2.gz WTSLMGAISQNDEY-CABCVRRESA-N 2 1 279.428 1.129 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001675874101 1174160550 /nfs/dbraw/zinc/16/05/50/1174160550.db2.gz HWJKRXHSPXUETE-CABCVRRESA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001675874101 1174160556 /nfs/dbraw/zinc/16/05/56/1174160556.db2.gz HWJKRXHSPXUETE-CABCVRRESA-N 2 1 297.443 1.158 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@H+]2C)CCC1 ZINC001570108260 1170081754 /nfs/dbraw/zinc/08/17/54/1170081754.db2.gz PPDIHVZKEJGTRD-HNNXBMFYSA-N 2 1 291.439 1.513 10 30 CDEEMP CC#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001571157409 1170342275 /nfs/dbraw/zinc/34/22/75/1170342275.db2.gz OYZFCMZKCDPBNB-SHTZXODSSA-N 2 1 293.455 1.472 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001657082688 1171926058 /nfs/dbraw/zinc/92/60/58/1171926058.db2.gz IFTUBEJKCWLUOE-HNNXBMFYSA-N 2 1 290.411 1.772 10 30 CDEEMP N#Cc1cnccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000592492432 342696525 /nfs/dbraw/zinc/69/65/25/342696525.db2.gz HSYGEKSNYMNJSS-CVEARBPZSA-N 2 1 286.379 1.281 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000600714572 342242279 /nfs/dbraw/zinc/24/22/79/342242279.db2.gz AIRDQVFQNQHUCJ-BFHYXJOUSA-N 2 1 263.385 1.258 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000600714572 342242280 /nfs/dbraw/zinc/24/22/80/342242280.db2.gz AIRDQVFQNQHUCJ-BFHYXJOUSA-N 2 1 263.385 1.258 10 30 CDEEMP N#Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000600769295 349879259 /nfs/dbraw/zinc/87/92/59/349879259.db2.gz LRMGFGQCUZQSRJ-UHFFFAOYSA-N 2 1 288.395 1.457 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001660632938 1172246193 /nfs/dbraw/zinc/24/61/93/1172246193.db2.gz XMXCRSFJPXZWJE-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001660632938 1172246200 /nfs/dbraw/zinc/24/62/00/1172246200.db2.gz XMXCRSFJPXZWJE-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001660632938 1172246210 /nfs/dbraw/zinc/24/62/10/1172246210.db2.gz XMXCRSFJPXZWJE-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001660753788 1172270342 /nfs/dbraw/zinc/27/03/42/1172270342.db2.gz YUPZGOQUZQTZMS-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001660753788 1172270346 /nfs/dbraw/zinc/27/03/46/1172270346.db2.gz YUPZGOQUZQTZMS-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP 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C=CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000661114533 413808145 /nfs/dbraw/zinc/80/81/45/413808145.db2.gz IXKVEOMUJPGNLJ-PMPSAXMXSA-N 2 1 284.444 1.650 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@@H+](CCC)C1CC[NH2+]CC1 ZINC000037539310 173260491 /nfs/dbraw/zinc/26/04/91/173260491.db2.gz KZTANBGQPYLFFL-LBPRGKRZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@H+](CCC)C1CC[NH2+]CC1 ZINC000037539310 173260492 /nfs/dbraw/zinc/26/04/92/173260492.db2.gz KZTANBGQPYLFFL-LBPRGKRZSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[NH+]1CCC(NCC[NH+]2CCCCCC2)CC1 ZINC000040767880 174398141 /nfs/dbraw/zinc/39/81/41/174398141.db2.gz JWJMOFQDNIWLQC-UHFFFAOYSA-N 2 1 263.429 1.550 10 30 CDEEMP CC(C)[NH+](CC#CC[N@H+](C[C@@H](C)O)C(C)C)C[C@H](C)O ZINC000341879202 263362056 /nfs/dbraw/zinc/36/20/56/263362056.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 2 1 284.444 1.172 10 30 CDEEMP CC(C)[NH+](CC#CC[N@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879202 263362058 /nfs/dbraw/zinc/36/20/58/263362058.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 2 1 284.444 1.172 10 30 CDEEMP CC(C)[NH+](CC#CC[N@@H+](C[C@H](C)O)C(C)C)C[C@@H](C)O ZINC000341879202 263362061 /nfs/dbraw/zinc/36/20/61/263362061.db2.gz AYJBABXMEFLPLF-IYBDPMFKSA-N 2 1 284.444 1.172 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001666920831 1173207788 /nfs/dbraw/zinc/20/77/88/1173207788.db2.gz KSBQQSDVUUNFNY-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001667111742 1173236403 /nfs/dbraw/zinc/23/64/03/1173236403.db2.gz GHDOYMNATTZKIQ-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP C[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262502066 330018120 /nfs/dbraw/zinc/01/81/20/330018120.db2.gz KSQOMBFSKYASJQ-GXTWGEPZSA-N 2 1 288.395 1.509 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593553 1159496229 /nfs/dbraw/zinc/49/62/29/1159496229.db2.gz NGQLFJMHAKNWEL-OAHLLOKOSA-N 2 1 291.439 1.439 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC001267671275 1159564459 /nfs/dbraw/zinc/56/44/59/1159564459.db2.gz AJRKRSBAMNFSBO-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001267671275 1159564464 /nfs/dbraw/zinc/56/44/64/1159564464.db2.gz AJRKRSBAMNFSBO-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001732210384 1159751427 /nfs/dbraw/zinc/75/14/27/1159751427.db2.gz GLRGBEHCPGOOAH-CJNGLKHVSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268699430 1160006277 /nfs/dbraw/zinc/00/62/77/1160006277.db2.gz NBWZGJMOYDEIHV-ILXRZTDVSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001270721355 1160139645 /nfs/dbraw/zinc/13/96/45/1160139645.db2.gz XAERRJLLRXLVMD-CYBMUJFWSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678049601 482910402 /nfs/dbraw/zinc/91/04/02/482910402.db2.gz MQBSBAAGLANERK-BMFZPTHFSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678049601 482910406 /nfs/dbraw/zinc/91/04/06/482910406.db2.gz MQBSBAAGLANERK-BMFZPTHFSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678049601 482910408 /nfs/dbraw/zinc/91/04/08/482910408.db2.gz MQBSBAAGLANERK-BMFZPTHFSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678049601 482910412 /nfs/dbraw/zinc/91/04/12/482910412.db2.gz MQBSBAAGLANERK-BMFZPTHFSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482816697 1160637606 /nfs/dbraw/zinc/63/76/06/1160637606.db2.gz JAFBEORDDFOQNV-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001483492998 1160929860 /nfs/dbraw/zinc/92/98/60/1160929860.db2.gz PUUFPABUQCPXEA-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001712946880 1178258351 /nfs/dbraw/zinc/25/83/51/1178258351.db2.gz GFGNMGNLDQQOKP-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001712946880 1178258355 /nfs/dbraw/zinc/25/83/55/1178258355.db2.gz GFGNMGNLDQQOKP-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001712946880 1178258360 /nfs/dbraw/zinc/25/83/60/1178258360.db2.gz GFGNMGNLDQQOKP-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001731703809 1182524043 /nfs/dbraw/zinc/52/40/43/1182524043.db2.gz QSYQQFBWHWVUFZ-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP CCCC[N@@H+](CCO)Cc1ccc(C#CC[NH3+])cc1 ZINC000049609644 520522368 /nfs/dbraw/zinc/52/23/68/520522368.db2.gz XNXLOZLTBQRZBL-UHFFFAOYSA-N 2 1 260.381 1.591 10 30 CDEEMP CC[N@@H+](CCOC)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609719 521136213 /nfs/dbraw/zinc/13/62/13/521136213.db2.gz MVLWCMTZPIJMGX-UHFFFAOYSA-N 2 1 276.380 1.474 10 30 CDEEMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609837 523343103 /nfs/dbraw/zinc/34/31/03/523343103.db2.gz NTTIABHGYVEOGJ-YOEHRIQHSA-N 2 1 272.392 1.996 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CC[NH3+])C[C@H]1CCCCO1 ZINC000049609522 523360514 /nfs/dbraw/zinc/36/05/14/523360514.db2.gz YBAZDOAYQMAPMV-QGZVFWFLSA-N 2 1 272.392 1.998 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000049608334 527147442 /nfs/dbraw/zinc/14/74/42/527147442.db2.gz KPWNSWMCFVPVMN-ZDUSSCGKSA-N 2 1 276.355 1.340 10 30 CDEEMP C#CCC1([NH2+][C@@H](C)C(=O)N2CC[NH+](CC)CC2)CCC1 ZINC000933304213 617390409 /nfs/dbraw/zinc/39/04/09/617390409.db2.gz ZWWNWTBNJNWYER-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912507072 630048138 /nfs/dbraw/zinc/04/81/38/630048138.db2.gz UQDAJDBIJZARQY-AWEZNQCLSA-N 2 1 296.459 1.593 10 30 CDEEMP C[C@H](CNC(NC[C@H]1CCCO1)=[NH+]C(C)(C)C)[NH+](C)C ZINC000912508985 630048713 /nfs/dbraw/zinc/04/87/13/630048713.db2.gz UHYQSXYBWGEKIT-CHWSQXEVSA-N 2 1 284.448 1.449 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913391688 630468176 /nfs/dbraw/zinc/46/81/76/630468176.db2.gz WRGADYOQRZBIJB-AWEZNQCLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913391688 630468180 /nfs/dbraw/zinc/46/81/80/630468180.db2.gz WRGADYOQRZBIJB-AWEZNQCLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001691026102 1158600183 /nfs/dbraw/zinc/60/01/83/1158600183.db2.gz RLDKMEXIUTXNQJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691026102 1158600185 /nfs/dbraw/zinc/60/01/85/1158600185.db2.gz RLDKMEXIUTXNQJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001691026102 1158600187 /nfs/dbraw/zinc/60/01/87/1158600187.db2.gz RLDKMEXIUTXNQJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001283261723 1158980252 /nfs/dbraw/zinc/98/02/52/1158980252.db2.gz SBUHDVLKPJDLIK-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001691410658 1159061516 /nfs/dbraw/zinc/06/15/16/1159061516.db2.gz RMYRVDMYNHUQFP-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001691410658 1159061525 /nfs/dbraw/zinc/06/15/25/1159061525.db2.gz RMYRVDMYNHUQFP-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001691410658 1159061532 /nfs/dbraw/zinc/06/15/32/1159061532.db2.gz RMYRVDMYNHUQFP-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001502796848 1160355049 /nfs/dbraw/zinc/35/50/49/1160355049.db2.gz ABPZBAUCDZXUHE-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691661056 1161441609 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CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001715031233 1179518659 /nfs/dbraw/zinc/51/86/59/1179518659.db2.gz JSDCHPSZLZMASM-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001716026840 1180002817 /nfs/dbraw/zinc/00/28/17/1180002817.db2.gz XYXBRIYBWBZFID-MRXNPFEDSA-N 2 1 289.423 1.866 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001716026840 1180002821 /nfs/dbraw/zinc/00/28/21/1180002821.db2.gz XYXBRIYBWBZFID-MRXNPFEDSA-N 2 1 289.423 1.866 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716030231 1180005498 /nfs/dbraw/zinc/00/54/98/1180005498.db2.gz NVXRJMHSPCRYOA-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716030231 1180005504 /nfs/dbraw/zinc/00/55/04/1180005504.db2.gz NVXRJMHSPCRYOA-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716030231 1180005512 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C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001717693919 1180793203 /nfs/dbraw/zinc/79/32/03/1180793203.db2.gz AUMIXQTUKVGJCT-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001717739748 1180819545 /nfs/dbraw/zinc/81/95/45/1180819545.db2.gz ZTCVZMFNQDKWDR-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)CCC ZINC001717749838 1180830074 /nfs/dbraw/zinc/83/00/74/1180830074.db2.gz AWEYOVWCPCTDLF-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001717906750 1180921579 /nfs/dbraw/zinc/92/15/79/1180921579.db2.gz ZXHTWUFIUZSABF-AWEZNQCLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001717972239 1180952941 /nfs/dbraw/zinc/95/29/41/1180952941.db2.gz CHEIXXUKSZCMAV-KGLIPLIRSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001717994211 1180961914 /nfs/dbraw/zinc/96/19/14/1180961914.db2.gz WCDPHDUKTZLXBL-YMAMQOFZSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001718033210 1180977141 /nfs/dbraw/zinc/97/71/41/1180977141.db2.gz BZMVTZLMKBVNLD-HUUCEWRRSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001724076671 1181633758 /nfs/dbraw/zinc/63/37/58/1181633758.db2.gz JCMFGWQXJMLYSY-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001724174392 1181647643 /nfs/dbraw/zinc/64/76/43/1181647643.db2.gz HVYHLMSJXVALIN-INIZCTEOSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001724754747 1181741111 /nfs/dbraw/zinc/74/11/11/1181741111.db2.gz MPOWGQMCWPPLAM-WKILWMFISA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724836874 1181770912 /nfs/dbraw/zinc/77/09/12/1181770912.db2.gz JMALYWCCCZLSQX-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001725427310 1181995397 /nfs/dbraw/zinc/99/53/97/1181995397.db2.gz MYXZIDNCIWPUSU-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001725427310 1181995401 /nfs/dbraw/zinc/99/54/01/1181995401.db2.gz MYXZIDNCIWPUSU-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001725427310 1181995406 /nfs/dbraw/zinc/99/54/06/1181995406.db2.gz MYXZIDNCIWPUSU-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001731833600 1182616446 /nfs/dbraw/zinc/61/64/46/1182616446.db2.gz HRZLBPFWJUXKSD-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001731862091 1182633753 /nfs/dbraw/zinc/63/37/53/1182633753.db2.gz YMPSRZHEQVDWBL-MRXNPFEDSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732344407 1182918374 /nfs/dbraw/zinc/91/83/74/1182918374.db2.gz WJNMDEFLOJYSQI-KBPBESRZSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001732519167 1182994672 /nfs/dbraw/zinc/99/46/72/1182994672.db2.gz SOWOOWZFMYGZAB-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001732748627 1183107197 /nfs/dbraw/zinc/10/71/97/1183107197.db2.gz ZNSKPIANOATGFY-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC(C)C ZINC001733042940 1183260165 /nfs/dbraw/zinc/26/01/65/1183260165.db2.gz AKWPAWXRUQKFSL-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC(C)C ZINC001733042940 1183260170 /nfs/dbraw/zinc/26/01/70/1183260170.db2.gz AKWPAWXRUQKFSL-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(C)C ZINC001733042940 1183260174 /nfs/dbraw/zinc/26/01/74/1183260174.db2.gz AKWPAWXRUQKFSL-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC(C)C ZINC001733042940 1183260178 /nfs/dbraw/zinc/26/01/78/1183260178.db2.gz AKWPAWXRUQKFSL-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001733065235 1183273608 /nfs/dbraw/zinc/27/36/08/1183273608.db2.gz BQGXRJSYRJPDEM-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001733065235 1183273610 /nfs/dbraw/zinc/27/36/10/1183273610.db2.gz BQGXRJSYRJPDEM-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001733065235 1183273615 /nfs/dbraw/zinc/27/36/15/1183273615.db2.gz BQGXRJSYRJPDEM-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001733065235 1183273619 /nfs/dbraw/zinc/27/36/19/1183273619.db2.gz BQGXRJSYRJPDEM-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC=C)C1 ZINC001733426781 1183430221 /nfs/dbraw/zinc/43/02/21/1183430221.db2.gz KAOYQMXHTUFVQI-RDJZCZTQSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC=C)C1 ZINC001733426781 1183430225 /nfs/dbraw/zinc/43/02/25/1183430225.db2.gz KAOYQMXHTUFVQI-RDJZCZTQSA-N 2 1 289.423 1.098 10 30 CDEEMP CC#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001733452695 1183436065 /nfs/dbraw/zinc/43/60/65/1183436065.db2.gz VEODGJPCSDLDRH-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001733460981 1183438550 /nfs/dbraw/zinc/43/85/50/1183438550.db2.gz RIZWZWXSOODYJE-MRXNPFEDSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001733578806 1183470601 /nfs/dbraw/zinc/47/06/01/1183470601.db2.gz AGBOUFRQRVGKTI-IYBDPMFKSA-N 2 1 291.439 1.132 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733940311 1183576487 /nfs/dbraw/zinc/57/64/87/1183576487.db2.gz VICWXIBVWSLTHF-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734037864 1183627570 /nfs/dbraw/zinc/62/75/70/1183627570.db2.gz JDFFUJJTFLIGKA-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001734037864 1183627574 /nfs/dbraw/zinc/62/75/74/1183627574.db2.gz JDFFUJJTFLIGKA-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001734037864 1183627576 /nfs/dbraw/zinc/62/75/76/1183627576.db2.gz JDFFUJJTFLIGKA-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880257929 789935933 /nfs/dbraw/zinc/93/59/33/789935933.db2.gz BEAIGXDTXIXSRL-AWEZNQCLSA-N 2 1 261.369 1.795 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)CC1 ZINC000880608865 791159972 /nfs/dbraw/zinc/15/99/72/791159972.db2.gz MNEQHBLDYXUIBK-GASCZTMLSA-N 2 1 291.439 1.273 10 30 CDEEMP CCCCCCC[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710608 791180123 /nfs/dbraw/zinc/18/01/23/791180123.db2.gz ZUBNFKGCNXDUPJ-KFWWJZLASA-N 2 1 295.427 1.824 10 30 CDEEMP C#C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C1CCOCC1 ZINC000877636442 792038338 /nfs/dbraw/zinc/03/83/38/792038338.db2.gz XOAYMEQDQAZYAS-MRXNPFEDSA-N 2 1 294.439 1.240 10 30 CDEEMP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(C#N)o2)CC1 ZINC000931480217 792818511 /nfs/dbraw/zinc/81/85/11/792818511.db2.gz PIZXNJXCPLDAOW-UHFFFAOYSA-N 2 1 263.341 1.040 10 30 CDEEMP C[C@H]1CCCN(C(=[NH2+])NCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000261980808 793665272 /nfs/dbraw/zinc/66/52/72/793665272.db2.gz HYZMHQOMWIBXHL-KBPBESRZSA-N 2 1 266.433 1.907 10 30 CDEEMP C#CCC1(O)CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000880482919 793813194 /nfs/dbraw/zinc/81/31/94/793813194.db2.gz VOHSGZSTVTVWAI-UHFFFAOYSA-N 2 1 261.369 1.203 10 30 CDEEMP C#CC[C@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000862444916 795098138 /nfs/dbraw/zinc/09/81/38/795098138.db2.gz IWBGZRMEEBHYDS-HNNXBMFYSA-N 2 1 299.422 1.074 10 30 CDEEMP C#CC[C@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000862444916 795098147 /nfs/dbraw/zinc/09/81/47/795098147.db2.gz IWBGZRMEEBHYDS-HNNXBMFYSA-N 2 1 299.422 1.074 10 30 CDEEMP CC1(C)[NH2+]CC[C@@H]1[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000925727071 795331168 /nfs/dbraw/zinc/33/11/68/795331168.db2.gz CJBUYQSJEGUAGX-GJZGRUSLSA-N 2 1 255.365 1.756 10 30 CDEEMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)C(C)C ZINC000854069614 795353197 /nfs/dbraw/zinc/35/31/97/795353197.db2.gz VNYGOJKWECDFHM-LSDHHAIUSA-N 2 1 296.459 1.215 10 30 CDEEMP C#C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)C(C)C ZINC000854069614 795353205 /nfs/dbraw/zinc/35/32/05/795353205.db2.gz VNYGOJKWECDFHM-LSDHHAIUSA-N 2 1 296.459 1.215 10 30 CDEEMP C=CCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880257930 795752787 /nfs/dbraw/zinc/75/27/87/795752787.db2.gz BEAIGXDTXIXSRL-CQSZACIVSA-N 2 1 261.369 1.795 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000876772509 795785552 /nfs/dbraw/zinc/78/55/52/795785552.db2.gz OKIIAXVESUJSPS-WXHSDQCUSA-N 2 1 287.835 1.645 10 30 CDEEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852898666 795795206 /nfs/dbraw/zinc/79/52/06/795795206.db2.gz NQBJWDTWHGTKCO-HNNXBMFYSA-N 2 1 291.439 1.226 10 30 CDEEMP CN(C)c1ccc(C#N)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000865638244 795868053 /nfs/dbraw/zinc/86/80/53/795868053.db2.gz ZNBTUIUOOASIQG-UHFFFAOYSA-N 2 1 283.379 1.690 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001570543491 1167576945 /nfs/dbraw/zinc/57/69/45/1167576945.db2.gz JIBNHKPPFYOQJM-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001566897056 1168460692 /nfs/dbraw/zinc/46/06/92/1168460692.db2.gz PTGGMWJPOXFAEW-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566929429 1168470166 /nfs/dbraw/zinc/47/01/66/1168470166.db2.gz ZZMPIAXPZXWBHR-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001566929429 1168470169 /nfs/dbraw/zinc/47/01/69/1168470169.db2.gz ZZMPIAXPZXWBHR-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001566929429 1168470171 /nfs/dbraw/zinc/47/01/71/1168470171.db2.gz ZZMPIAXPZXWBHR-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001567128529 1168580822 /nfs/dbraw/zinc/58/08/22/1168580822.db2.gz PCOQNVJORVFWDB-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001567432494 1168755589 /nfs/dbraw/zinc/75/55/89/1168755589.db2.gz GFKJFQSONKJMPA-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266797677 896063985 /nfs/dbraw/zinc/06/39/85/896063985.db2.gz FVJJTFXSDFGXSI-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001266963658 896454336 /nfs/dbraw/zinc/45/43/36/896454336.db2.gz BXDHMNRHTQXFCY-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001480923155 897079546 /nfs/dbraw/zinc/07/95/46/897079546.db2.gz MVMXLDJFPKLODW-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001267196132 897110856 /nfs/dbraw/zinc/11/08/56/897110856.db2.gz ASEBDZKARYZWGC-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001267257445 897358664 /nfs/dbraw/zinc/35/86/64/897358664.db2.gz WHHSYEAWNKKBKA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001267257445 897358672 /nfs/dbraw/zinc/35/86/72/897358672.db2.gz WHHSYEAWNKKBKA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001267257445 897358680 /nfs/dbraw/zinc/35/86/80/897358680.db2.gz WHHSYEAWNKKBKA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267567429 898389878 /nfs/dbraw/zinc/38/98/78/898389878.db2.gz CEKLNTHEYTYBJR-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267567429 898389888 /nfs/dbraw/zinc/38/98/88/898389888.db2.gz CEKLNTHEYTYBJR-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267567429 898389895 /nfs/dbraw/zinc/38/98/95/898389895.db2.gz CEKLNTHEYTYBJR-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267681014 899265443 /nfs/dbraw/zinc/26/54/43/899265443.db2.gz FPMSMDZCDOQCAD-IIAWOOMASA-N 2 1 293.455 1.729 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001481246014 899624721 /nfs/dbraw/zinc/62/47/21/899624721.db2.gz OAGIHZIJCIAHBZ-KBPBESRZSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001267780108 899711725 /nfs/dbraw/zinc/71/17/25/899711725.db2.gz ZDGLPXKPLDUGNG-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001481505814 900955329 /nfs/dbraw/zinc/95/53/29/900955329.db2.gz WEOPFYNHNYHMCM-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001567736398 1168941106 /nfs/dbraw/zinc/94/11/06/1168941106.db2.gz LPLLGGWWFCFEIL-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)C ZINC001268211821 901580968 /nfs/dbraw/zinc/58/09/68/901580968.db2.gz HZACXBGWJRAWLJ-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268247959 901664669 /nfs/dbraw/zinc/66/46/69/901664669.db2.gz XQZWFIXKPZWOSH-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268258398 901686707 /nfs/dbraw/zinc/68/67/07/901686707.db2.gz BGDGLFWACBQIIY-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001268258398 901686712 /nfs/dbraw/zinc/68/67/12/901686712.db2.gz BGDGLFWACBQIIY-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001268258398 901686720 /nfs/dbraw/zinc/68/67/20/901686720.db2.gz BGDGLFWACBQIIY-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001268347774 901909811 /nfs/dbraw/zinc/90/98/11/901909811.db2.gz DYRAMUDCPRRSGC-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC001268480747 902301550 /nfs/dbraw/zinc/30/15/50/902301550.db2.gz NKGFHGNQSJUAJA-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP CC#CC[NH2+]C[C@@](C)(NC(=O)CC[N@H+](C)CC)C1CC1 ZINC001481949003 902395684 /nfs/dbraw/zinc/39/56/84/902395684.db2.gz UINAKKYVFSMBPR-MRXNPFEDSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001482149489 902766681 /nfs/dbraw/zinc/76/66/81/902766681.db2.gz NGACVDAFTCFUGD-VXGBXAGGSA-N 2 1 264.373 1.116 10 30 CDEEMP C=CCCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001268802244 903142569 /nfs/dbraw/zinc/14/25/69/903142569.db2.gz ONRBTKPNWQQDSC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269842660 904144270 /nfs/dbraw/zinc/14/42/70/904144270.db2.gz CKCSIRDMJPNVMU-OAHLLOKOSA-N 2 1 281.444 1.681 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001270516625 904692379 /nfs/dbraw/zinc/69/23/79/904692379.db2.gz GFBVKXFQBOKJMS-BBRMVZONSA-N 2 1 299.434 1.727 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270649787 904879093 /nfs/dbraw/zinc/87/90/93/904879093.db2.gz PUCJCXMSIAJSSU-DZGCQCFKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567915783 1169066628 /nfs/dbraw/zinc/06/66/28/1169066628.db2.gz XLSONEITMJWXIL-HNNXBMFYSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001483059990 909194226 /nfs/dbraw/zinc/19/42/26/909194226.db2.gz AWCORJRRGWNMEY-VBROQKIQSA-N 2 1 265.401 1.166 10 30 CDEEMP C=CCC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001568026080 1169122773 /nfs/dbraw/zinc/12/27/73/1169122773.db2.gz KOMJMQQUKYKNRF-RDJZCZTQSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001483379842 911021529 /nfs/dbraw/zinc/02/15/29/911021529.db2.gz XUAZFIGPIYUFGE-IHRRRGAJSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483379842 911021548 /nfs/dbraw/zinc/02/15/48/911021548.db2.gz XUAZFIGPIYUFGE-IHRRRGAJSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483379842 911021567 /nfs/dbraw/zinc/02/15/67/911021567.db2.gz XUAZFIGPIYUFGE-IHRRRGAJSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC=C)CC1 ZINC001483989396 915269250 /nfs/dbraw/zinc/26/92/50/915269250.db2.gz ILELYFVGYGMBMB-OAHLLOKOSA-N 2 1 289.423 1.050 10 30 CDEEMP C=CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484923134 916279651 /nfs/dbraw/zinc/27/96/51/916279651.db2.gz FLSOZGICYQVXEX-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001485226020 916683221 /nfs/dbraw/zinc/68/32/21/916683221.db2.gz KLECMGHSECDTDT-VXGBXAGGSA-N 2 1 264.373 1.250 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001485456340 916980314 /nfs/dbraw/zinc/98/03/14/916980314.db2.gz PQYFUEZDXJYTIO-UHFFFAOYSA-N 2 1 281.444 1.923 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001485457914 916990458 /nfs/dbraw/zinc/99/04/58/916990458.db2.gz DGFABUGVBRYLJM-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001485471437 917000573 /nfs/dbraw/zinc/00/05/73/917000573.db2.gz GWAKXAHNHUQZCN-HZPDHXFCSA-N 2 1 293.455 1.759 10 30 CDEEMP C=CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001486118662 920728075 /nfs/dbraw/zinc/72/80/75/920728075.db2.gz HEDSIPFBRATCLO-GXTWGEPZSA-N 2 1 276.384 1.347 10 30 CDEEMP C=CCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486131505 920736712 /nfs/dbraw/zinc/73/67/12/920736712.db2.gz QDYAUPCPKZMFJC-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001486412163 920985833 /nfs/dbraw/zinc/98/58/33/920985833.db2.gz ZCXUNZLADOXVPE-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001486509721 921084766 /nfs/dbraw/zinc/08/47/66/921084766.db2.gz WTXUQFAYHZHLOO-OAHLLOKOSA-N 2 1 277.412 1.098 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001273200850 924501513 /nfs/dbraw/zinc/50/15/13/924501513.db2.gz HGAZLPOLIYAKSX-UHFFFAOYSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CCC)CC1 ZINC001119644576 925452245 /nfs/dbraw/zinc/45/22/45/925452245.db2.gz VRHDHRVPLGHJHJ-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001568433590 1169284668 /nfs/dbraw/zinc/28/46/68/1169284668.db2.gz DFSRAUHHNFWTDA-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001274825189 931585927 /nfs/dbraw/zinc/58/59/27/931585927.db2.gz NFDOMWJFQXLGNY-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC001275648300 931928619 /nfs/dbraw/zinc/92/86/19/931928619.db2.gz IODTUEMLTGSRGY-HUUCEWRRSA-N 2 1 281.444 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001275707685 931969924 /nfs/dbraw/zinc/96/99/24/931969924.db2.gz XSPZYDXCDLRWOR-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CCC ZINC001275707685 931969927 /nfs/dbraw/zinc/96/99/27/931969927.db2.gz XSPZYDXCDLRWOR-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)CCC ZINC001275707685 931969930 /nfs/dbraw/zinc/96/99/30/931969930.db2.gz XSPZYDXCDLRWOR-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001568669672 1169423150 /nfs/dbraw/zinc/42/31/50/1169423150.db2.gz ULMXPKIETOXAEB-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001329471810 939802257 /nfs/dbraw/zinc/80/22/57/939802257.db2.gz MMOAXGNJQJJKRY-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001329471810 939802261 /nfs/dbraw/zinc/80/22/61/939802261.db2.gz MMOAXGNJQJJKRY-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001329471810 939802265 /nfs/dbraw/zinc/80/22/65/939802265.db2.gz MMOAXGNJQJJKRY-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001282738128 942746443 /nfs/dbraw/zinc/74/64/43/942746443.db2.gz 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C=CC[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001507129932 975347611 /nfs/dbraw/zinc/34/76/11/975347611.db2.gz ZCLRLXBPHVNYMD-ZDUSSCGKSA-N 2 1 269.433 1.587 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001507963121 975571114 /nfs/dbraw/zinc/57/11/14/975571114.db2.gz GMZDZLJPAOPARQ-ZIAGYGMSSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001379326357 975768891 /nfs/dbraw/zinc/76/88/91/975768891.db2.gz IFHRMZOLIRXIJQ-LBPRGKRZSA-N 2 1 275.824 1.516 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001393782807 977914950 /nfs/dbraw/zinc/91/49/50/977914950.db2.gz HMAJNKQBSXRVLM-CHWSQXEVSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001393782807 977914958 /nfs/dbraw/zinc/91/49/58/977914958.db2.gz HMAJNKQBSXRVLM-CHWSQXEVSA-N 2 1 287.835 1.660 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001674140666 1173917636 /nfs/dbraw/zinc/91/76/36/1173917636.db2.gz HWBLMUIJBPXJQN-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001676854442 1174279868 /nfs/dbraw/zinc/27/98/68/1174279868.db2.gz UBQZOVNTANJVLK-BZUAXINKSA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001676991708 1174306802 /nfs/dbraw/zinc/30/68/02/1174306802.db2.gz YJIUMPZTPSOYLU-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653244 1170223972 /nfs/dbraw/zinc/22/39/72/1170223972.db2.gz OSZQCALZRWXDIV-OLZOCXBDSA-N 2 1 255.406 1.386 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001571502350 1170456822 /nfs/dbraw/zinc/45/68/22/1170456822.db2.gz DAIFKKLGLABZBP-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[C@H]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000651704334 398158388 /nfs/dbraw/zinc/15/83/88/398158388.db2.gz FPBGTNLWWQFOIC-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600720367 358705127 /nfs/dbraw/zinc/70/51/27/358705127.db2.gz OUDOQTIFLPROTQ-JSGCOSHPSA-N 2 1 276.384 1.472 10 30 CDEEMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001661275841 1172362374 /nfs/dbraw/zinc/36/23/74/1172362374.db2.gz IBJSUBQARVGRQK-IYBDPMFKSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)CC1 ZINC000195045921 375979694 /nfs/dbraw/zinc/97/96/94/375979694.db2.gz KISXXORKOZCTDG-MRXNPFEDSA-N 2 1 289.423 1.028 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344219676 379326931 /nfs/dbraw/zinc/32/69/31/379326931.db2.gz MYFUJRYOUCDDGF-HIFRSBDPSA-N 2 1 251.418 1.567 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344219676 379326942 /nfs/dbraw/zinc/32/69/42/379326942.db2.gz MYFUJRYOUCDDGF-HIFRSBDPSA-N 2 1 251.418 1.567 10 30 CDEEMP C=CCCC[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001663419132 1172692673 /nfs/dbraw/zinc/69/26/73/1172692673.db2.gz CEBPFEZYXMPCOO-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP N#CCCOCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000339139110 391257443 /nfs/dbraw/zinc/25/74/43/391257443.db2.gz AOKLCWNQDXPNJB-ROUUACIJSA-N 2 1 299.418 1.980 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104682 392012222 /nfs/dbraw/zinc/01/22/22/392012222.db2.gz LVLYZIUAVOISQD-CQSZACIVSA-N 2 1 268.401 1.110 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001664009457 1172800602 /nfs/dbraw/zinc/80/06/02/1172800602.db2.gz YLLSQECFHLTBKH-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664760859 1172904220 /nfs/dbraw/zinc/90/42/20/1172904220.db2.gz ZXXVGZIBAXINNM-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2cc[nH+]c2C)C1 ZINC001664760859 1172904228 /nfs/dbraw/zinc/90/42/28/1172904228.db2.gz ZXXVGZIBAXINNM-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C[N@H+](Cc1ccc(C#CC[NH3+])s1)C[C@@H]1CCCO1 ZINC000043683884 175092337 /nfs/dbraw/zinc/09/23/37/175092337.db2.gz KZMXXHJKOHMZKU-LBPRGKRZSA-N 2 1 264.394 1.669 10 30 CDEEMP CC(C)C[N@@H+](CC(N)=O)Cc1ccc(C#CC[NH3+])s1 ZINC000043684243 175092693 /nfs/dbraw/zinc/09/26/93/175092693.db2.gz GTRYAUAHMRAVLN-UHFFFAOYSA-N 2 1 279.409 1.002 10 30 CDEEMP N#Cc1ccccc1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000044513571 175189010 /nfs/dbraw/zinc/18/90/10/175189010.db2.gz SMVDASLFHYUHIV-UHFFFAOYSA-N 2 1 272.352 1.167 10 30 CDEEMP CN[C@@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311096 175356703 /nfs/dbraw/zinc/35/67/03/175356703.db2.gz PMIKKBIBKMHUDU-CQSZACIVSA-N 2 1 252.406 1.294 10 30 CDEEMP CCN[C@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307869 175356769 /nfs/dbraw/zinc/35/67/69/175356769.db2.gz CUWAUQISJISVGE-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP CCN[C@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307869 175356770 /nfs/dbraw/zinc/35/67/70/175356770.db2.gz CUWAUQISJISVGE-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)cc1F ZINC000071150248 176045122 /nfs/dbraw/zinc/04/51/22/176045122.db2.gz RFZPIKDHUYURHQ-UHFFFAOYSA-N 2 1 276.359 1.034 10 30 CDEEMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(C#N)cc1F ZINC000071150248 176045125 /nfs/dbraw/zinc/04/51/25/176045125.db2.gz RFZPIKDHUYURHQ-UHFFFAOYSA-N 2 1 276.359 1.034 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703813 424347196 /nfs/dbraw/zinc/34/71/96/424347196.db2.gz UVDFYIFIOULUHJ-WFASDCNBSA-N 2 1 263.385 1.038 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001667668630 1173310219 /nfs/dbraw/zinc/31/02/19/1173310219.db2.gz CTNAOYFPOGGGGC-UHFFFAOYSA-N 2 1 281.444 1.829 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001668151867 1173373711 /nfs/dbraw/zinc/37/37/11/1173373711.db2.gz BVPVPNCRDMDCLK-HNNXBMFYSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668904288 1173477358 /nfs/dbraw/zinc/47/73/58/1173477358.db2.gz ALTPIBWIFZCMDI-SQRWCISFSA-N 2 1 293.455 1.945 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001672531407 1173782515 /nfs/dbraw/zinc/78/25/15/1173782515.db2.gz UQWSKVOLXQADNL-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001267142762 1159136544 /nfs/dbraw/zinc/13/65/44/1159136544.db2.gz VYMRNXUBIOQDSM-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C[C@H]1CN(C(=[NH2+])NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCO1 ZINC000262305317 330005176 /nfs/dbraw/zinc/00/51/76/330005176.db2.gz AIAXZLDNKFHMCF-STQMWFEESA-N 2 1 282.432 1.142 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NCC1(C)CC1)=[NH+]C ZINC000262446314 330013577 /nfs/dbraw/zinc/01/35/77/330013577.db2.gz VJHKTNZFNYXDHQ-CYBMUJFWSA-N 2 1 266.433 1.778 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001698549181 1175832341 /nfs/dbraw/zinc/83/23/41/1175832341.db2.gz HCXPHMIHSMWSNZ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001698549181 1175832350 /nfs/dbraw/zinc/83/23/50/1175832350.db2.gz HCXPHMIHSMWSNZ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001698549181 1175832356 /nfs/dbraw/zinc/83/23/56/1175832356.db2.gz HCXPHMIHSMWSNZ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707420812 1178034708 /nfs/dbraw/zinc/03/47/08/1178034708.db2.gz BUMVEKWRAZVASG-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)[C@@H]1CCSC1 ZINC000049608993 522906151 /nfs/dbraw/zinc/90/61/51/522906151.db2.gz RODVNKNPDSWJFU-OAHLLOKOSA-N 2 1 290.432 1.813 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000901027632 623820614 /nfs/dbraw/zinc/82/06/14/623820614.db2.gz WPPHKEBHQUIMPV-JSGCOSHPSA-N 2 1 265.401 1.093 10 30 CDEEMP C=CC[N@@H+](CC(=O)OCC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884562 626132742 /nfs/dbraw/zinc/13/27/42/626132742.db2.gz CMYXREOSHSCECC-AGUYFDCRSA-N 2 1 266.385 1.568 10 30 CDEEMP C=CC[N@H+](CC(=O)OCC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903884562 626132745 /nfs/dbraw/zinc/13/27/45/626132745.db2.gz CMYXREOSHSCECC-AGUYFDCRSA-N 2 1 266.385 1.568 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001690987772 1158514276 /nfs/dbraw/zinc/51/42/76/1158514276.db2.gz QFZBBXXASFSVKB-UHFFFAOYSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001267536720 1159444544 /nfs/dbraw/zinc/44/45/44/1159444544.db2.gz ZDODLXPMMCGVFL-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267536720 1159444546 /nfs/dbraw/zinc/44/45/46/1159444546.db2.gz ZDODLXPMMCGVFL-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001267536720 1159444548 /nfs/dbraw/zinc/44/45/48/1159444548.db2.gz ZDODLXPMMCGVFL-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001481241142 1159591264 /nfs/dbraw/zinc/59/12/64/1159591264.db2.gz MPDHWPLJBWMHOZ-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC=C(C)C ZINC001481241142 1159591269 /nfs/dbraw/zinc/59/12/69/1159591269.db2.gz MPDHWPLJBWMHOZ-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001269985861 1160081398 /nfs/dbraw/zinc/08/13/98/1160081398.db2.gz PRVDOSBCVZUOQS-KLHDSHLOSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732694283 1160194723 /nfs/dbraw/zinc/19/47/23/1160194723.db2.gz HEKPFXVACDLKCH-RRFJBIMHSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C ZINC001275593080 1166692007 /nfs/dbraw/zinc/69/20/07/1166692007.db2.gz XTRQUQIKPPPPCX-QWHCGFSZSA-N 2 1 255.406 1.339 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001568119181 1169140492 /nfs/dbraw/zinc/14/04/92/1169140492.db2.gz UELFOJUIIGQIRH-KRWDZBQOSA-N 2 1 299.418 1.510 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001568179489 1169163438 /nfs/dbraw/zinc/16/34/38/1169163438.db2.gz CBPOQKVBOWNIRK-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001568311985 1169240108 /nfs/dbraw/zinc/24/01/08/1169240108.db2.gz FOAGUIGCIUFCCV-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001569302738 1169755641 /nfs/dbraw/zinc/75/56/41/1169755641.db2.gz BBLIXBBYPGZIRO-JKSUJKDBSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570860490 1170304673 /nfs/dbraw/zinc/30/46/73/1170304673.db2.gz UXTDCQFIBWNNND-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001571180962 1170343547 /nfs/dbraw/zinc/34/35/47/1170343547.db2.gz JYMWDKFTGKOLLX-KKUMJFAQSA-N 2 1 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CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699750570 1176605911 /nfs/dbraw/zinc/60/59/11/1176605911.db2.gz KUOFFAIXCJLETC-JKSUJKDBSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001700184670 1176788352 /nfs/dbraw/zinc/78/83/52/1176788352.db2.gz NJGHJSFRVOQLQJ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)CC[N@H+](C)CCC ZINC001700483857 1176972602 /nfs/dbraw/zinc/97/26/02/1176972602.db2.gz TXXKONVAIQVQIU-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001700483857 1176972611 /nfs/dbraw/zinc/97/26/11/1176972611.db2.gz TXXKONVAIQVQIU-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)CCC ZINC001700483857 1176972618 /nfs/dbraw/zinc/97/26/18/1176972618.db2.gz TXXKONVAIQVQIU-CQSZACIVSA-N 2 1 267.417 1.178 10 30 CDEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700669052 1177068160 /nfs/dbraw/zinc/06/81/60/1177068160.db2.gz IHAXBQHUBYQYBC-QWHCGFSZSA-N 2 1 287.835 1.708 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001707072287 1177939284 /nfs/dbraw/zinc/93/92/84/1177939284.db2.gz DHZHPZDSTGSHLA-UAGQMJEPSA-N 2 1 299.418 1.407 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001707392208 1178011986 /nfs/dbraw/zinc/01/19/86/1178011986.db2.gz JNFXEVUOSHCUOP-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001707417043 1178033607 /nfs/dbraw/zinc/03/36/07/1178033607.db2.gz DGONNJIUTVAZQO-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713174867 1178413651 /nfs/dbraw/zinc/41/36/51/1178413651.db2.gz IVYZOYDWRLNRPE-IHRRRGAJSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001713191787 1178422646 /nfs/dbraw/zinc/42/26/46/1178422646.db2.gz ORSCPKXIAPJEBN-MELADBBJSA-N 2 1 288.395 1.267 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001713518013 1178619986 /nfs/dbraw/zinc/61/99/86/1178619986.db2.gz TYPMSFSEJWIEKP-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713518013 1178619989 /nfs/dbraw/zinc/61/99/89/1178619989.db2.gz TYPMSFSEJWIEKP-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001713518013 1178619992 /nfs/dbraw/zinc/61/99/92/1178619992.db2.gz TYPMSFSEJWIEKP-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)CC[NH+](C)C)C(C)C ZINC001713692764 1178712854 /nfs/dbraw/zinc/71/28/54/1178712854.db2.gz HFYQYMSWXMVGTB-UHFFFAOYSA-N 2 1 267.417 1.178 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713750580 1178738659 /nfs/dbraw/zinc/73/86/59/1178738659.db2.gz BNJLLAQWHZOBQK-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713750580 1178738666 /nfs/dbraw/zinc/73/86/66/1178738666.db2.gz BNJLLAQWHZOBQK-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713750580 1178738669 /nfs/dbraw/zinc/73/86/69/1178738669.db2.gz BNJLLAQWHZOBQK-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001713793619 1178755924 /nfs/dbraw/zinc/75/59/24/1178755924.db2.gz RIAJQFSJBVRLTC-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CCC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713916995 1178844509 /nfs/dbraw/zinc/84/45/09/1178844509.db2.gz FKFIYUBVQPCZFL-UHFFFAOYSA-N 2 1 279.428 1.036 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714013571 1178927385 /nfs/dbraw/zinc/92/73/85/1178927385.db2.gz NRNRHCJVJMRLSN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714519395 1179178584 /nfs/dbraw/zinc/17/85/84/1179178584.db2.gz CSPBZGVKGPAAJW-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714519395 1179178599 /nfs/dbraw/zinc/17/85/99/1179178599.db2.gz CSPBZGVKGPAAJW-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714519395 1179178604 /nfs/dbraw/zinc/17/86/04/1179178604.db2.gz CSPBZGVKGPAAJW-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001714931504 1179460248 /nfs/dbraw/zinc/46/02/48/1179460248.db2.gz ARYGNAQLFQTGMG-HZPDHXFCSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC001715404387 1179658583 /nfs/dbraw/zinc/65/85/83/1179658583.db2.gz KDMXQAIMOPXDJP-INIZCTEOSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@H+](C)CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001715476510 1179676311 /nfs/dbraw/zinc/67/63/11/1179676311.db2.gz OCCIBXKAPLLPCK-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715655148 1179754702 /nfs/dbraw/zinc/75/47/02/1179754702.db2.gz KSXJRPYGFKGSGG-LBPRGKRZSA-N 2 1 287.835 1.708 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715878572 1179892592 /nfs/dbraw/zinc/89/25/92/1179892592.db2.gz PRVKUNCNKFKVLY-IDTUSYRASA-N 2 1 277.412 1.145 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001715945895 1179934447 /nfs/dbraw/zinc/93/44/47/1179934447.db2.gz SDHQSIRXUDIQCV-TZMCWYRMSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001715977677 1179958533 /nfs/dbraw/zinc/95/85/33/1179958533.db2.gz PAUNJBGWVOHGPS-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715983983 1179963768 /nfs/dbraw/zinc/96/37/68/1179963768.db2.gz SEOOCWHXRCJPJN-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001716400150 1180186286 /nfs/dbraw/zinc/18/62/86/1180186286.db2.gz XNMWYQYNKZNOML-HIFRSBDPSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001716497610 1180255429 /nfs/dbraw/zinc/25/54/29/1180255429.db2.gz MQZHAZHMCQRIQI-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716497610 1180255433 /nfs/dbraw/zinc/25/54/33/1180255433.db2.gz MQZHAZHMCQRIQI-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001716497610 1180255436 /nfs/dbraw/zinc/25/54/36/1180255436.db2.gz MQZHAZHMCQRIQI-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717210269 1180575050 /nfs/dbraw/zinc/57/50/50/1180575050.db2.gz DIHDGEKKUCCHLG-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717210269 1180575054 /nfs/dbraw/zinc/57/50/54/1180575054.db2.gz DIHDGEKKUCCHLG-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717210269 1180575056 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C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H]1C ZINC001717804360 1180865633 /nfs/dbraw/zinc/86/56/33/1180865633.db2.gz DTXAQPGIPNFNLJ-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001718022104 1180972674 /nfs/dbraw/zinc/97/26/74/1180972674.db2.gz JHCFTCVOUGLZIM-UHFFFAOYSA-N 2 1 289.423 1.242 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001723485409 1181576355 /nfs/dbraw/zinc/57/63/55/1181576355.db2.gz XBLMGVAZKLABES-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001723939163 1181625215 /nfs/dbraw/zinc/62/52/15/1181625215.db2.gz CMFJPDLIGGSTTJ-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001731233072 1182263362 /nfs/dbraw/zinc/26/33/62/1182263362.db2.gz AJXNVQBWYBOEQB-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001731233072 1182263365 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C=CCC[C@H](O)C[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931288819 797806313 /nfs/dbraw/zinc/80/63/13/797806313.db2.gz VDCCAFSRWAWPOW-INIZCTEOSA-N 2 1 282.428 1.500 10 30 CDEEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852855812 797875578 /nfs/dbraw/zinc/87/55/78/797875578.db2.gz ORIMSGZDYSMDKE-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC ZINC001569061404 1167547698 /nfs/dbraw/zinc/54/76/98/1167547698.db2.gz BKKDRTBOYPMLDF-KKUMJFAQSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C[C@@H](C)CC ZINC001569061404 1167547704 /nfs/dbraw/zinc/54/77/04/1167547704.db2.gz BKKDRTBOYPMLDF-KKUMJFAQSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001565994245 1168209115 /nfs/dbraw/zinc/20/91/15/1168209115.db2.gz CIRIZZXFAFQLMO-VNQPRFMTSA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001566122098 1168239946 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CDEEMP C=CCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001567324631 1168679308 /nfs/dbraw/zinc/67/93/08/1168679308.db2.gz WBCNFNYUKYTYHH-OKILXGFUSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001567350708 1168696554 /nfs/dbraw/zinc/69/65/54/1168696554.db2.gz DSGVCBXXMQTGIJ-UHFFFAOYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567403535 1168738270 /nfs/dbraw/zinc/73/82/70/1168738270.db2.gz PLPWMYYVYDCLKF-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567403535 1168738278 /nfs/dbraw/zinc/73/82/78/1168738278.db2.gz PLPWMYYVYDCLKF-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567403535 1168738288 /nfs/dbraw/zinc/73/82/88/1168738288.db2.gz PLPWMYYVYDCLKF-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001266638150 895658665 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CC#CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318406010 958092567 /nfs/dbraw/zinc/09/25/67/958092567.db2.gz BSUDTDYMFDWSHG-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001318406010 958092581 /nfs/dbraw/zinc/09/25/81/958092581.db2.gz BSUDTDYMFDWSHG-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318406010 958092597 /nfs/dbraw/zinc/09/25/97/958092597.db2.gz BSUDTDYMFDWSHG-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001333140800 958102323 /nfs/dbraw/zinc/10/23/23/958102323.db2.gz VTWBQYBVFIEZGO-DQPZFDDXSA-N 2 1 289.423 1.075 10 30 CDEEMP C#CC[NH2+]C[C@](C)(NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001495258963 972459570 /nfs/dbraw/zinc/45/95/70/972459570.db2.gz NPVMDKGXPWKUOX-WBVHZDCISA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001322542453 960253187 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1.424 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001677306530 1174346430 /nfs/dbraw/zinc/34/64/30/1174346430.db2.gz KUMXBLDYACCRIF-KGLIPLIRSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001689331409 1175146694 /nfs/dbraw/zinc/14/66/94/1175146694.db2.gz CNVHFTJKIJRRLL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001689331409 1175146685 /nfs/dbraw/zinc/14/66/85/1175146685.db2.gz CNVHFTJKIJRRLL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001689331409 1175146689 /nfs/dbraw/zinc/14/66/89/1175146689.db2.gz CNVHFTJKIJRRLL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001689878186 1175291879 /nfs/dbraw/zinc/29/18/79/1175291879.db2.gz ZWXSEYADSRHSAJ-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001690356574 1175447086 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C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001692380439 1175755824 /nfs/dbraw/zinc/75/58/24/1175755824.db2.gz TWEALNHJCHHMRJ-PMPSAXMXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001692380439 1175755830 /nfs/dbraw/zinc/75/58/30/1175755830.db2.gz TWEALNHJCHHMRJ-PMPSAXMXSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001692380439 1175755835 /nfs/dbraw/zinc/75/58/35/1175755835.db2.gz TWEALNHJCHHMRJ-PMPSAXMXSA-N 2 1 291.439 1.580 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001692391084 1175758607 /nfs/dbraw/zinc/75/86/07/1175758607.db2.gz QJUWNHBGWAHMGY-OWCLPIDISA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC1CC1 ZINC001698601426 1175866766 /nfs/dbraw/zinc/86/67/66/1175866766.db2.gz CBXRXJMBKJTWIT-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CCC1CC1 ZINC001698601426 1175866767 /nfs/dbraw/zinc/86/67/67/1175866767.db2.gz CBXRXJMBKJTWIT-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667844 1175891428 /nfs/dbraw/zinc/89/14/28/1175891428.db2.gz MHTISAQQYZNFSH-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001698767369 1175924901 /nfs/dbraw/zinc/92/49/01/1175924901.db2.gz UNDZRJBFHLOEBZ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001698825472 1175950877 /nfs/dbraw/zinc/95/08/77/1175950877.db2.gz UMSNWPPHOZVWQP-HZSPNIEDSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001698860758 1175967661 /nfs/dbraw/zinc/96/76/61/1175967661.db2.gz KSDMJUKIZVEAMM-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001698991727 1176022052 /nfs/dbraw/zinc/02/20/52/1176022052.db2.gz UANYCXUNXJHMCO-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001698991727 1176022059 /nfs/dbraw/zinc/02/20/59/1176022059.db2.gz UANYCXUNXJHMCO-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001698991727 1176022066 /nfs/dbraw/zinc/02/20/66/1176022066.db2.gz UANYCXUNXJHMCO-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001699184115 1176130295 /nfs/dbraw/zinc/13/02/95/1176130295.db2.gz CXNXGPDJJSMEGA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCCCC ZINC001699449139 1176412839 /nfs/dbraw/zinc/41/28/39/1176412839.db2.gz YDFKADQDQKIQMT-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCCC ZINC001699449139 1176412840 /nfs/dbraw/zinc/41/28/40/1176412840.db2.gz YDFKADQDQKIQMT-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCCC ZINC001699449139 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WBPAQHFOQJUGEN-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713729347 1178727312 /nfs/dbraw/zinc/72/73/12/1178727312.db2.gz WBPAQHFOQJUGEN-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001713752004 1178737997 /nfs/dbraw/zinc/73/79/97/1178737997.db2.gz HCTPFTBNXWDLHB-HRCADAONSA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713752004 1178738000 /nfs/dbraw/zinc/73/80/00/1178738000.db2.gz HCTPFTBNXWDLHB-HRCADAONSA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713752004 1178738001 /nfs/dbraw/zinc/73/80/01/1178738001.db2.gz HCTPFTBNXWDLHB-HRCADAONSA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)C[NH+]1CC(CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713906169 1178833210 /nfs/dbraw/zinc/83/32/10/1178833210.db2.gz LHZBPNTVOKPRKX-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714945256 1179469619 /nfs/dbraw/zinc/46/96/19/1179469619.db2.gz YQJPUWWUZRRUPZ-UHFFFAOYSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001714988100 1179494489 /nfs/dbraw/zinc/49/44/89/1179494489.db2.gz FVKURMJEJNSVQT-SOUVJXGZSA-N 2 1 297.418 1.528 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](F)C[NH+](CC)CC ZINC001714988100 1179494492 /nfs/dbraw/zinc/49/44/92/1179494492.db2.gz FVKURMJEJNSVQT-SOUVJXGZSA-N 2 1 297.418 1.528 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001714995281 1179497507 /nfs/dbraw/zinc/49/75/07/1179497507.db2.gz NSLIGDOJSFSOLX-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001714995281 1179497509 /nfs/dbraw/zinc/49/75/09/1179497509.db2.gz NSLIGDOJSFSOLX-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001715828706 1179853154 /nfs/dbraw/zinc/85/31/54/1179853154.db2.gz PZZZASLMGUCRMW-WJQGNAEDSA-N 2 1 295.814 1.099 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C/C=C/Cl ZINC001715828706 1179853168 /nfs/dbraw/zinc/85/31/68/1179853168.db2.gz PZZZASLMGUCRMW-WJQGNAEDSA-N 2 1 295.814 1.099 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715928751 1179922190 /nfs/dbraw/zinc/92/21/90/1179922190.db2.gz XIEHXLNMZLGGEJ-ZIAGYGMSSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC001716242680 1180116324 /nfs/dbraw/zinc/11/63/24/1180116324.db2.gz IVWKBFFTSCMHJG-UHFFFAOYSA-N 2 1 278.400 1.631 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC001716668942 1180354602 /nfs/dbraw/zinc/35/46/02/1180354602.db2.gz DMQVJRMTNMWZIY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001716668942 1180354610 /nfs/dbraw/zinc/35/46/10/1180354610.db2.gz DMQVJRMTNMWZIY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001716668942 1180354618 /nfs/dbraw/zinc/35/46/18/1180354618.db2.gz DMQVJRMTNMWZIY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001716668942 1180354627 /nfs/dbraw/zinc/35/46/27/1180354627.db2.gz DMQVJRMTNMWZIY-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H](C)C1 ZINC001716771212 1180407180 /nfs/dbraw/zinc/40/71/80/1180407180.db2.gz SNSOPRZQKYJBDA-UKRRQHHQSA-N 2 1 288.395 1.184 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001717205313 1180572590 /nfs/dbraw/zinc/57/25/90/1180572590.db2.gz DPXRBKJXUBVSLT-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001717205313 1180572593 /nfs/dbraw/zinc/57/25/93/1180572593.db2.gz DPXRBKJXUBVSLT-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001717205313 1180572598 /nfs/dbraw/zinc/57/25/98/1180572598.db2.gz DPXRBKJXUBVSLT-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001717301453 1180609787 /nfs/dbraw/zinc/60/97/87/1180609787.db2.gz QETYVBNZPJDYSE-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001717337804 1180622002 /nfs/dbraw/zinc/62/20/02/1180622002.db2.gz ZWLREJUFXARJKZ-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001717337804 1180622005 /nfs/dbraw/zinc/62/20/05/1180622005.db2.gz ZWLREJUFXARJKZ-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001717337804 1180622007 /nfs/dbraw/zinc/62/20/07/1180622007.db2.gz ZWLREJUFXARJKZ-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](CC)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717356797 1180626461 /nfs/dbraw/zinc/62/64/61/1180626461.db2.gz MELBEAKGEUDXEO-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001717605755 1180756197 /nfs/dbraw/zinc/75/61/97/1180756197.db2.gz NWNRFOWDKZMHNT-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001717605755 1180756201 /nfs/dbraw/zinc/75/62/01/1180756201.db2.gz NWNRFOWDKZMHNT-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001717605755 1180756207 /nfs/dbraw/zinc/75/62/07/1180756207.db2.gz NWNRFOWDKZMHNT-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001717745144 1180823279 /nfs/dbraw/zinc/82/32/79/1180823279.db2.gz PRRLZYFARLPECK-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001717795470 1180859453 /nfs/dbraw/zinc/85/94/53/1180859453.db2.gz HPSCODMAOJAQBF-LSDHHAIUSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CCC[NH+]1CC[C@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001723722363 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C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001732095206 1182764267 /nfs/dbraw/zinc/76/42/67/1182764267.db2.gz GRXAYBOVHTUQLI-JSGCOSHPSA-N 2 1 265.401 1.236 10 30 CDEEMP C=C(C)CC[NH+]1CCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001732387346 1182940885 /nfs/dbraw/zinc/94/08/85/1182940885.db2.gz PMWDPYGCJFSBRO-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001732387346 1182940890 /nfs/dbraw/zinc/94/08/90/1182940890.db2.gz PMWDPYGCJFSBRO-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001732387346 1182940893 /nfs/dbraw/zinc/94/08/93/1182940893.db2.gz PMWDPYGCJFSBRO-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CCC)C1CCCCC1 ZINC001732478929 1182983351 /nfs/dbraw/zinc/98/33/51/1182983351.db2.gz XBYKLQIIISEHHX-INIZCTEOSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001733225282 1183350512 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CDEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]21 ZINC001734451308 1183782072 /nfs/dbraw/zinc/78/20/72/1183782072.db2.gz WPJWCOLVZLSUBJ-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001734458139 1183786166 /nfs/dbraw/zinc/78/61/66/1183786166.db2.gz KSDVNGVLNBAZFK-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001734458139 1183786170 /nfs/dbraw/zinc/78/61/70/1183786170.db2.gz KSDVNGVLNBAZFK-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001734458139 1183786172 /nfs/dbraw/zinc/78/61/72/1183786172.db2.gz KSDVNGVLNBAZFK-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872073231 1165376336 /nfs/dbraw/zinc/37/63/36/1165376336.db2.gz NEPUPYBMYWIHOB-CABCVRRESA-N 2 1 252.402 1.736 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000872073231 1165376343 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CDEEMP C=CCCCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000849049753 812803106 /nfs/dbraw/zinc/80/31/06/812803106.db2.gz QZJHEACCPLYSRY-UHFFFAOYSA-N 2 1 282.432 1.569 10 30 CDEEMP CN(C)c1ccc(C#N)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000865522717 814558263 /nfs/dbraw/zinc/55/82/63/814558263.db2.gz URRFCVHPLFKPOB-UHFFFAOYSA-N 2 1 284.407 1.976 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC001671201574 1167148689 /nfs/dbraw/zinc/14/86/89/1167148689.db2.gz BUJJOVJDCVXMEL-HUUCEWRRSA-N 2 1 293.455 1.968 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001571408675 1167595131 /nfs/dbraw/zinc/59/51/31/1167595131.db2.gz WHDSDHXBLSJJHZ-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566879708 1168455219 /nfs/dbraw/zinc/45/52/19/1168455219.db2.gz RZVLICKZFDTROR-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001272292060 912708798 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C#CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001567402166 1168737676 /nfs/dbraw/zinc/73/76/76/1168737676.db2.gz DDSSTPSLJOREPZ-CABCVRRESA-N 2 1 297.418 1.128 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266252297 893923053 /nfs/dbraw/zinc/92/30/53/893923053.db2.gz QVCOOOQMVCEJIV-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266252297 893923062 /nfs/dbraw/zinc/92/30/62/893923062.db2.gz QVCOOOQMVCEJIV-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001266252297 893923067 /nfs/dbraw/zinc/92/30/67/893923067.db2.gz QVCOOOQMVCEJIV-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266495347 895057536 /nfs/dbraw/zinc/05/75/36/895057536.db2.gz LBQWGNOCCVMLBS-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001266495347 895057554 /nfs/dbraw/zinc/05/75/54/895057554.db2.gz LBQWGNOCCVMLBS-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001267048531 896631592 /nfs/dbraw/zinc/63/15/92/896631592.db2.gz XUUTZFLTYBEMMR-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001267169791 896992640 /nfs/dbraw/zinc/99/26/40/896992640.db2.gz XGZXMKKORPDWBX-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617008 914181558 /nfs/dbraw/zinc/18/15/58/914181558.db2.gz RRZZQJXRMDBADU-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[C@@H](C)n2ccnc2)C1 ZINC001267790138 899732437 /nfs/dbraw/zinc/73/24/37/899732437.db2.gz KWPXUYXPRNTULP-CABCVRRESA-N 2 1 290.411 1.943 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267955741 900064240 /nfs/dbraw/zinc/06/42/40/900064240.db2.gz GETVDFXNEVWVNP-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP 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C#CC[NH2+]CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268499327 902402319 /nfs/dbraw/zinc/40/23/19/902402319.db2.gz DXVWWMNDMLQFQJ-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001270194951 904432561 /nfs/dbraw/zinc/43/25/61/904432561.db2.gz YEJSDVYQDHEYLP-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCC1 ZINC001270431890 904631396 /nfs/dbraw/zinc/63/13/96/904631396.db2.gz QGXUFXORBWGMMS-ZBFHGGJFSA-N 2 1 293.455 1.779 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001270624022 904831601 /nfs/dbraw/zinc/83/16/01/904831601.db2.gz MLEXOBQUJCCWMX-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001270624022 904831616 /nfs/dbraw/zinc/83/16/16/904831616.db2.gz MLEXOBQUJCCWMX-GOEBONIOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001270624022 904831630 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CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001482622227 908062454 /nfs/dbraw/zinc/06/24/54/908062454.db2.gz GTFLGURGQPUARZ-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001482622227 908062468 /nfs/dbraw/zinc/06/24/68/908062468.db2.gz GTFLGURGQPUARZ-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483050559 909047662 /nfs/dbraw/zinc/04/76/62/909047662.db2.gz IRPBNLXSWKMORQ-BEWKBBBFSA-N 2 1 277.412 1.002 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1CC ZINC001483623334 911829968 /nfs/dbraw/zinc/82/99/68/911829968.db2.gz IHCKFJQFNVBEEB-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC2CC2)CC1 ZINC001485388659 916936211 /nfs/dbraw/zinc/93/62/11/916936211.db2.gz OLNHUVILBLEZOV-CQSZACIVSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001485651788 917151487 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C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001490309715 927108051 /nfs/dbraw/zinc/10/80/51/927108051.db2.gz MUTZXESPYYUTDM-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001490664490 927289365 /nfs/dbraw/zinc/28/93/65/927289365.db2.gz KUDHIVLXHYLBHM-SOUVJXGZSA-N 2 1 279.428 1.387 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001490742052 927314905 /nfs/dbraw/zinc/31/49/05/927314905.db2.gz LKASPDXQIOBHJD-CQSZACIVSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001568483056 1169316583 /nfs/dbraw/zinc/31/65/83/1169316583.db2.gz GPRDZXICKBKXQL-LSDHHAIUSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001568483056 1169316590 /nfs/dbraw/zinc/31/65/90/1169316590.db2.gz GPRDZXICKBKXQL-LSDHHAIUSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001568483056 1169316597 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C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001277074982 941916386 /nfs/dbraw/zinc/91/63/86/941916386.db2.gz QCKJRKXCCRABTQ-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001280480223 942450202 /nfs/dbraw/zinc/45/02/02/942450202.db2.gz GISDBLRNQXQTSV-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001281682623 942609553 /nfs/dbraw/zinc/60/95/53/942609553.db2.gz FOSICSMYFQLHFM-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001282494128 942723370 /nfs/dbraw/zinc/72/33/70/942723370.db2.gz NHKBKRYMHHCAOR-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001282494128 942723374 /nfs/dbraw/zinc/72/33/74/942723374.db2.gz NHKBKRYMHHCAOR-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001282811245 942755207 /nfs/dbraw/zinc/75/52/07/942755207.db2.gz NJIGKGHRNVVIIW-CYBMUJFWSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CCC)CCC[C@H]12 ZINC001284071018 943069523 /nfs/dbraw/zinc/06/95/23/943069523.db2.gz LBZRWACLHFZVOL-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001284071018 943069529 /nfs/dbraw/zinc/06/95/29/943069529.db2.gz LBZRWACLHFZVOL-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)CCC)CCC[C@H]12 ZINC001284071018 943069537 /nfs/dbraw/zinc/06/95/37/943069537.db2.gz LBZRWACLHFZVOL-RDJZCZTQSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001284070982 943070159 /nfs/dbraw/zinc/07/01/59/943070159.db2.gz VTKASSJWSVPCOR-ZBFHGGJFSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001284277568 943137502 /nfs/dbraw/zinc/13/75/02/943137502.db2.gz UVDPLCHXGLFGMN-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264363554 944112738 /nfs/dbraw/zinc/11/27/38/944112738.db2.gz RBRHSVXQIYTYSG-ZIAGYGMSSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001265655966 944459665 /nfs/dbraw/zinc/45/96/65/944459665.db2.gz SUDGAQYZWWPKCE-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655966 944459670 /nfs/dbraw/zinc/45/96/70/944459670.db2.gz SUDGAQYZWWPKCE-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001265655966 944459675 /nfs/dbraw/zinc/45/96/75/944459675.db2.gz SUDGAQYZWWPKCE-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001265833117 944532306 /nfs/dbraw/zinc/53/23/06/944532306.db2.gz XQIMHCVBNLQESJ-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC=C(C)C)C1 ZINC001265912499 944570532 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ODGPJMGIMMFEID-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495395216 972487378 /nfs/dbraw/zinc/48/73/78/972487378.db2.gz DESNWWGFUDFFMI-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001323292553 960620795 /nfs/dbraw/zinc/62/07/95/960620795.db2.gz FVFIAYRYBBAWNQ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001569414305 1169867265 /nfs/dbraw/zinc/86/72/65/1169867265.db2.gz JWIKBAZOKBMFOZ-KBPBESRZSA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC001544078247 967335533 /nfs/dbraw/zinc/33/55/33/967335533.db2.gz DPVQKLDJQQTRFM-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001480474347 967951950 /nfs/dbraw/zinc/95/19/50/967951950.db2.gz YPDDODDVSWKOEQ-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[C@]1(C(=O)Nc2ccc3nc(C[NH3+])[nH]c3c2)CCC[NH2+]1 ZINC001523463939 970718273 /nfs/dbraw/zinc/71/82/73/970718273.db2.gz PVZSGBHSXPZITR-MRXNPFEDSA-N 2 1 299.378 1.658 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001496796702 973102986 /nfs/dbraw/zinc/10/29/86/973102986.db2.gz KLISLQJYFFULAD-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001496796702 973102992 /nfs/dbraw/zinc/10/29/92/973102992.db2.gz KLISLQJYFFULAD-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001496796702 973102997 /nfs/dbraw/zinc/10/29/97/973102997.db2.gz KLISLQJYFFULAD-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497255391 973265140 /nfs/dbraw/zinc/26/51/40/973265140.db2.gz LZETYVXTDSPMIX-ILXRZTDVSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001499611371 974274651 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CC#CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001506970111 975277628 /nfs/dbraw/zinc/27/76/28/975277628.db2.gz IALZYRYKLRMGCP-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)CC ZINC001674199599 1173923717 /nfs/dbraw/zinc/92/37/17/1173923717.db2.gz JEFAMDSRTOCPFI-JYJNAYRXSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C[C@@H](C)CC ZINC001674199599 1173923723 /nfs/dbraw/zinc/92/37/23/1173923723.db2.gz JEFAMDSRTOCPFI-JYJNAYRXSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001677263354 1174342114 /nfs/dbraw/zinc/34/21/14/1174342114.db2.gz PNHAIEUOXDTQIN-ZIAGYGMSSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001569915597 1170037612 /nfs/dbraw/zinc/03/76/12/1170037612.db2.gz SOZKKZMYYRWEAT-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001569915598 1170037047 /nfs/dbraw/zinc/03/70/47/1170037047.db2.gz SOZKKZMYYRWEAT-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001569915598 1170037050 /nfs/dbraw/zinc/03/70/50/1170037050.db2.gz SOZKKZMYYRWEAT-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001569915598 1170037057 /nfs/dbraw/zinc/03/70/57/1170037057.db2.gz SOZKKZMYYRWEAT-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570827425 1170291074 /nfs/dbraw/zinc/29/10/74/1170291074.db2.gz QNTZJRSLIRJIPD-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001571296638 1170360170 /nfs/dbraw/zinc/36/01/70/1170360170.db2.gz DELXEJKUYGRKKF-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001571635267 1170503320 /nfs/dbraw/zinc/50/33/20/1170503320.db2.gz BIDIFKRHGZRJIN-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571664888 1170516072 /nfs/dbraw/zinc/51/60/72/1170516072.db2.gz ZMOGCBXIEFHPAE-WLYUNCDWSA-N 2 1 279.428 1.483 10 30 CDEEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594438902 342906711 /nfs/dbraw/zinc/90/67/11/342906711.db2.gz MTRMSRGWSPHPLJ-HUUCEWRRSA-N 2 1 294.443 1.588 10 30 CDEEMP CCCCCCCCON1C(=[NH2+])NC(=[NH2+])NC1(C)C ZINC000137190846 342401396 /nfs/dbraw/zinc/40/13/96/342401396.db2.gz REDFTNFFEZDOAC-UHFFFAOYSA-N 2 1 269.393 1.960 10 30 CDEEMP C=C[C@@H](C(=O)OC)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877711 344631661 /nfs/dbraw/zinc/63/16/61/344631661.db2.gz KRAALZXIFVMIIT-LBPRGKRZSA-N 2 1 252.358 1.132 10 30 CDEEMP C=C[C@@H](C(=O)OC)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877711 344631662 /nfs/dbraw/zinc/63/16/62/344631662.db2.gz KRAALZXIFVMIIT-LBPRGKRZSA-N 2 1 252.358 1.132 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001660632937 1172245094 /nfs/dbraw/zinc/24/50/94/1172245094.db2.gz XMXCRSFJPXZWJE-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001660632937 1172245101 /nfs/dbraw/zinc/24/51/01/1172245101.db2.gz XMXCRSFJPXZWJE-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001660632937 1172245109 /nfs/dbraw/zinc/24/51/09/1172245109.db2.gz XMXCRSFJPXZWJE-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001661554512 1172405570 /nfs/dbraw/zinc/40/55/70/1172405570.db2.gz CBNAZLIOBZSJDD-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001661554512 1172405575 /nfs/dbraw/zinc/40/55/75/1172405575.db2.gz CBNAZLIOBZSJDD-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001661554512 1172405578 /nfs/dbraw/zinc/40/55/78/1172405578.db2.gz CBNAZLIOBZSJDD-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCn1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)nn1 ZINC000655939593 412953051 /nfs/dbraw/zinc/95/30/51/412953051.db2.gz QOJYSXPFVYDVNT-ZDUSSCGKSA-N 2 1 263.389 1.415 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000649336477 392060637 /nfs/dbraw/zinc/06/06/37/392060637.db2.gz ZDWGPZSVTWPRKV-CABCVRRESA-N 2 1 270.417 1.356 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[NH+](CC(C)C)CC2)CCC[NH2+]1 ZINC000662666773 413279451 /nfs/dbraw/zinc/27/94/51/413279451.db2.gz VJUGNGSQPHNHJL-INIZCTEOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@H+](CC)CCC)CCC[NH2+]1 ZINC000662749397 413426660 /nfs/dbraw/zinc/42/66/60/413426660.db2.gz LGQZFKXMPYCGAC-OAHLLOKOSA-N 2 1 267.417 1.533 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001665487634 1173004176 /nfs/dbraw/zinc/00/41/76/1173004176.db2.gz TUJYZDYENVQLRX-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001665681437 1173036034 /nfs/dbraw/zinc/03/60/34/1173036034.db2.gz GCSGKSLNPDDKOJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001665681437 1173036038 /nfs/dbraw/zinc/03/60/38/1173036038.db2.gz GCSGKSLNPDDKOJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001665681437 1173036044 /nfs/dbraw/zinc/03/60/44/1173036044.db2.gz GCSGKSLNPDDKOJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP [NH3+]CC#Cc1ccc(CN2CC[NH+](C3CC3)CC2)s1 ZINC000043684044 175091868 /nfs/dbraw/zinc/09/18/68/175091868.db2.gz SGGRAAFBOAGDFQ-UHFFFAOYSA-N 2 1 275.421 1.338 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])[C@H]1CCSC1 ZINC000043683655 175092380 /nfs/dbraw/zinc/09/23/80/175092380.db2.gz QEEWXMYBLFZUEZ-LBPRGKRZSA-N 2 1 266.435 1.996 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043689139 175096134 /nfs/dbraw/zinc/09/61/34/175096134.db2.gz NPBQOOBFNRPDID-GJZGRUSLSA-N 2 1 276.405 1.812 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043689139 175096136 /nfs/dbraw/zinc/09/61/36/175096136.db2.gz NPBQOOBFNRPDID-GJZGRUSLSA-N 2 1 276.405 1.812 10 30 CDEEMP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000071147073 176043249 /nfs/dbraw/zinc/04/32/49/176043249.db2.gz BVCCOJOIVYEHTM-LLVKDONJSA-N 2 1 292.408 1.490 10 30 CDEEMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000071147073 176043251 /nfs/dbraw/zinc/04/32/51/176043251.db2.gz BVCCOJOIVYEHTM-LLVKDONJSA-N 2 1 292.408 1.490 10 30 CDEEMP C[N@H+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CC[NH+](C)C1 ZINC000071190479 176066095 /nfs/dbraw/zinc/06/60/95/176066095.db2.gz UOYYQEMMKQSZPR-KRWDZBQOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190479 176066096 /nfs/dbraw/zinc/06/60/96/176066096.db2.gz UOYYQEMMKQSZPR-KRWDZBQOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190479 176066098 /nfs/dbraw/zinc/06/60/98/176066098.db2.gz UOYYQEMMKQSZPR-KRWDZBQOSA-N 3 1 271.408 1.380 10 30 CDEEMP CN(Cc1cccc(C#CC[NH3+])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190479 176066099 /nfs/dbraw/zinc/06/60/99/176066099.db2.gz UOYYQEMMKQSZPR-KRWDZBQOSA-N 2 1 271.408 1.380 10 30 CDEEMP CN(Cc1cccc(C#CC[NH3+])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190479 176066100 /nfs/dbraw/zinc/06/61/00/176066100.db2.gz UOYYQEMMKQSZPR-KRWDZBQOSA-N 2 1 271.408 1.380 10 30 CDEEMP C[N@H+](CC[C@@](C)(C#N)NC1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000071190754 176067374 /nfs/dbraw/zinc/06/73/74/176067374.db2.gz TYOZCJHMRUGLIG-HIFRSBDPSA-N 2 1 264.417 1.294 10 30 CDEEMP C[N@@H+](CC[C@@](C)(C#N)NC1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000071190754 176067375 /nfs/dbraw/zinc/06/73/75/176067375.db2.gz TYOZCJHMRUGLIG-HIFRSBDPSA-N 2 1 264.417 1.294 10 30 CDEEMP C[NH+](CC[C@@](C)(C#N)NC1CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190754 176067376 /nfs/dbraw/zinc/06/73/76/176067376.db2.gz TYOZCJHMRUGLIG-HIFRSBDPSA-N 2 1 264.417 1.294 10 30 CDEEMP C[NH+](CC[C@@](C)(C#N)NC1CC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190754 176067378 /nfs/dbraw/zinc/06/73/78/176067378.db2.gz TYOZCJHMRUGLIG-HIFRSBDPSA-N 2 1 264.417 1.294 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748701 424400277 /nfs/dbraw/zinc/40/02/77/424400277.db2.gz ZMYQVKZSMKQBBO-WBVHZDCISA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001667302045 1173252017 /nfs/dbraw/zinc/25/20/17/1173252017.db2.gz ONBNWDODXRJMMT-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000369191580 267225369 /nfs/dbraw/zinc/22/53/69/267225369.db2.gz KSUVOJQXFCPXKX-UHFFFAOYSA-N 2 1 265.401 1.049 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001667634028 1173301744 /nfs/dbraw/zinc/30/17/44/1173301744.db2.gz FCNQXLMWDVVZKV-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001667634028 1173301751 /nfs/dbraw/zinc/30/17/51/1173301751.db2.gz FCNQXLMWDVVZKV-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001667634028 1173301760 /nfs/dbraw/zinc/30/17/60/1173301760.db2.gz FCNQXLMWDVVZKV-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001669751292 1173593603 /nfs/dbraw/zinc/59/36/03/1173593603.db2.gz ZUTXLJDPWPIUSO-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001669980500 1173639612 /nfs/dbraw/zinc/63/96/12/1173639612.db2.gz KIHQSNJAXHGXBG-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001671863107 1173716212 /nfs/dbraw/zinc/71/62/12/1173716212.db2.gz SJPZHGFABGAHJZ-CQSZACIVSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673392175 1173852364 /nfs/dbraw/zinc/85/23/64/1173852364.db2.gz WYOZCZGHEYMVBL-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001267203861 1159174018 /nfs/dbraw/zinc/17/40/18/1159174018.db2.gz ZNDHNSUJVSJNTP-ZIAGYGMSSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001267203861 1159174020 /nfs/dbraw/zinc/17/40/20/1159174020.db2.gz ZNDHNSUJVSJNTP-ZIAGYGMSSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001267203861 1159174022 /nfs/dbraw/zinc/17/40/22/1159174022.db2.gz ZNDHNSUJVSJNTP-ZIAGYGMSSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001267205760 1159175796 /nfs/dbraw/zinc/17/57/96/1159175796.db2.gz YLARYOBTMZAKGV-UHFFFAOYSA-N 2 1 265.401 1.239 10 30 CDEEMP C=CCOCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731712564 1159330079 /nfs/dbraw/zinc/33/00/79/1159330079.db2.gz TZPFJVUSLHNZJH-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267994581 1159640464 /nfs/dbraw/zinc/64/04/64/1159640464.db2.gz SILXYYUQFNVNJR-HZPDHXFCSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482665015 1160594887 /nfs/dbraw/zinc/59/48/87/1160594887.db2.gz YOCUOQDDAUVBGD-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457743 1181566857 /nfs/dbraw/zinc/56/68/57/1181566857.db2.gz LVGFAPFXMQWGMO-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001723457743 1181566860 /nfs/dbraw/zinc/56/68/60/1181566860.db2.gz LVGFAPFXMQWGMO-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001723457743 1181566863 /nfs/dbraw/zinc/56/68/63/1181566863.db2.gz LVGFAPFXMQWGMO-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001723457743 1181566865 /nfs/dbraw/zinc/56/68/65/1181566865.db2.gz LVGFAPFXMQWGMO-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP CN(C)C[C@H]1CCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000061652293 521871731 /nfs/dbraw/zinc/87/17/31/521871731.db2.gz XHJBOQWGPRQHID-QGZVFWFLSA-N 2 1 271.408 1.523 10 30 CDEEMP CN(C)C[C@H]1CCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000061652293 521871739 /nfs/dbraw/zinc/87/17/39/521871739.db2.gz XHJBOQWGPRQHID-QGZVFWFLSA-N 2 1 271.408 1.523 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])cc1)[C@H]1CCSC1 ZINC000049608998 523202680 /nfs/dbraw/zinc/20/26/80/523202680.db2.gz IFQMSUJAKBFLIX-HNNXBMFYSA-N 2 1 260.406 1.934 10 30 CDEEMP CC[C@@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609349 523497895 /nfs/dbraw/zinc/49/78/95/523497895.db2.gz CDBDIJPJEAMDRR-MRXNPFEDSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609349 523497896 /nfs/dbraw/zinc/49/78/96/523497896.db2.gz CDBDIJPJEAMDRR-MRXNPFEDSA-N 2 1 258.365 1.608 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)[C@H]1CCSC1 ZINC000049609000 523514850 /nfs/dbraw/zinc/51/48/50/523514850.db2.gz BADPVFJALFQEPP-HNNXBMFYSA-N 2 1 290.432 1.943 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@@H]2CCCO)s1 ZINC000052763105 527149280 /nfs/dbraw/zinc/14/92/80/527149280.db2.gz VDIXBLLYTVNNRA-CYBMUJFWSA-N 2 1 278.421 1.795 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CCO ZINC000049608676 527153672 /nfs/dbraw/zinc/15/36/72/527153672.db2.gz HGPHCKLEAAMKCF-QGZVFWFLSA-N 2 1 272.392 1.734 10 30 CDEEMP C=CC[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353619836 527188859 /nfs/dbraw/zinc/18/88/59/527188859.db2.gz JDSVUPHDWFTOLH-GBJTYRQASA-N 2 1 252.402 1.633 10 30 CDEEMP C#CC[N@H+](C)CCCNCc1ccnc(OC)c1F ZINC000894639446 619000884 /nfs/dbraw/zinc/00/08/84/619000884.db2.gz LRQVAQVCPJZMFD-UHFFFAOYSA-N 2 1 265.332 1.274 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000899958835 622584153 /nfs/dbraw/zinc/58/41/53/622584153.db2.gz YLZIIMBXROTVEP-ZDUSSCGKSA-N 2 1 279.384 1.506 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CC)[C@H](C)C1 ZINC000901200717 623985762 /nfs/dbraw/zinc/98/57/62/623985762.db2.gz QGBINZQTARWRPY-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001691186162 1158950374 /nfs/dbraw/zinc/95/03/74/1158950374.db2.gz HZQOOPTZXYUPGI-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691184582 1158949105 /nfs/dbraw/zinc/94/91/05/1158949105.db2.gz QVPHCGMVXVBCCZ-SHTZXODSSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001691184462 1158949233 /nfs/dbraw/zinc/94/92/33/1158949233.db2.gz MNDOHUJKFCCHSF-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001732631219 1160159994 /nfs/dbraw/zinc/15/99/94/1160159994.db2.gz RCEDBXMIMULQKI-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001483592228 1160953749 /nfs/dbraw/zinc/95/37/49/1160953749.db2.gz LDSQDXJKKMNRDU-HZPDHXFCSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866363265 1164772051 /nfs/dbraw/zinc/77/20/51/1164772051.db2.gz KVEYNRSXRPQVNP-HOTGVXAUSA-N 2 1 264.413 1.879 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866363265 1164772056 /nfs/dbraw/zinc/77/20/56/1164772056.db2.gz KVEYNRSXRPQVNP-HOTGVXAUSA-N 2 1 264.413 1.879 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000876728846 1165904049 /nfs/dbraw/zinc/90/40/49/1165904049.db2.gz XSTAQHRAATVRFE-VXGBXAGGSA-N 2 1 273.808 1.257 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001566860328 1168447460 /nfs/dbraw/zinc/44/74/60/1168447460.db2.gz VXPBMZLGBHAZOH-IXDOHACOSA-N 2 1 299.418 1.549 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001648659515 1169146210 /nfs/dbraw/zinc/14/62/10/1169146210.db2.gz FMSIKTOXGLCABG-HRCADAONSA-N 2 1 264.413 1.731 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659515 1169146212 /nfs/dbraw/zinc/14/62/12/1169146212.db2.gz FMSIKTOXGLCABG-HRCADAONSA-N 2 1 264.413 1.731 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001648659515 1169146220 /nfs/dbraw/zinc/14/62/20/1169146220.db2.gz FMSIKTOXGLCABG-HRCADAONSA-N 2 1 264.413 1.731 10 30 CDEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CCC)C[C@H]2C1 ZINC001569882539 1170027151 /nfs/dbraw/zinc/02/71/51/1170027151.db2.gz UXSSCASYWHDNPM-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001569882539 1170027157 /nfs/dbraw/zinc/02/71/57/1170027157.db2.gz UXSSCASYWHDNPM-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CCC)C[C@H]2C1 ZINC001569882539 1170027164 /nfs/dbraw/zinc/02/71/64/1170027164.db2.gz UXSSCASYWHDNPM-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001569915597 1170037598 /nfs/dbraw/zinc/03/75/98/1170037598.db2.gz SOZKKZMYYRWEAT-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001569915597 1170037604 /nfs/dbraw/zinc/03/76/04/1170037604.db2.gz SOZKKZMYYRWEAT-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001571630803 1170501828 /nfs/dbraw/zinc/50/18/28/1170501828.db2.gz NDXPYNWSZZNRPM-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1CC ZINC001656755692 1171874005 /nfs/dbraw/zinc/87/40/05/1171874005.db2.gz CGLRKURQOLKKJU-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001656755692 1171874015 /nfs/dbraw/zinc/87/40/15/1171874015.db2.gz CGLRKURQOLKKJU-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1CC ZINC001656755692 1171874026 /nfs/dbraw/zinc/87/40/26/1171874026.db2.gz CGLRKURQOLKKJU-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001661655077 1172422625 /nfs/dbraw/zinc/42/26/25/1172422625.db2.gz WZHPPQIXQZRPSK-YHUYYLMFSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001666245395 1173120993 /nfs/dbraw/zinc/12/09/93/1173120993.db2.gz YDJSOXINCHAQQF-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCOCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001666939180 1173211000 /nfs/dbraw/zinc/21/10/00/1173211000.db2.gz USZWWXOXJCKVLW-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001670275647 1173669710 /nfs/dbraw/zinc/66/97/10/1173669710.db2.gz OJIBNSYIHXVRCE-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001690586773 1175514403 /nfs/dbraw/zinc/51/44/03/1175514403.db2.gz HPFZRGDGLPXSIQ-WBVHZDCISA-N 2 1 299.418 1.379 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1 ZINC001690586773 1175514406 /nfs/dbraw/zinc/51/44/06/1175514406.db2.gz HPFZRGDGLPXSIQ-WBVHZDCISA-N 2 1 299.418 1.379 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001692215122 1175703636 /nfs/dbraw/zinc/70/36/36/1175703636.db2.gz SSXWOGQZXHPPDL-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001692215122 1175703642 /nfs/dbraw/zinc/70/36/42/1175703642.db2.gz SSXWOGQZXHPPDL-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001692215122 1175703651 /nfs/dbraw/zinc/70/36/51/1175703651.db2.gz SSXWOGQZXHPPDL-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)[C@H]1C ZINC001692391085 1175757734 /nfs/dbraw/zinc/75/77/34/1175757734.db2.gz QJUWNHBGWAHMGY-PMPSAXMXSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001698667350 1175892099 /nfs/dbraw/zinc/89/20/99/1175892099.db2.gz FJJULYVERAXCNE-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001698704280 1175899175 /nfs/dbraw/zinc/89/91/75/1175899175.db2.gz HHTTZERHPLXMDF-UHFFFAOYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001698879271 1175976030 /nfs/dbraw/zinc/97/60/30/1175976030.db2.gz NGWIKFMYYGJEPX-OAHLLOKOSA-N 2 1 292.427 1.888 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698910729 1175983947 /nfs/dbraw/zinc/98/39/47/1175983947.db2.gz ZXYSTMPQEGTNPO-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699403409 1176368159 /nfs/dbraw/zinc/36/81/59/1176368159.db2.gz WULLQUCUBNWKFQ-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001699743904 1176601198 /nfs/dbraw/zinc/60/11/98/1176601198.db2.gz RNYVIEWLLRRNGV-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001700317479 1176846918 /nfs/dbraw/zinc/84/69/18/1176846918.db2.gz IFTIZRFZFYTJNW-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001700651736 1177058861 /nfs/dbraw/zinc/05/88/61/1177058861.db2.gz OPYFICHLANEIHS-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(Cl)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001700669051 1177067299 /nfs/dbraw/zinc/06/72/99/1177067299.db2.gz IHAXBQHUBYQYBC-CHWSQXEVSA-N 2 1 287.835 1.708 10 30 CDEEMP C#CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001700843052 1177162484 /nfs/dbraw/zinc/16/24/84/1177162484.db2.gz BNYMXEFMNFRWGV-ZIAGYGMSSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001707160518 1177961245 /nfs/dbraw/zinc/96/12/45/1177961245.db2.gz NMVQLAGUZCSKQM-ZBFHGGJFSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001707262489 1177983570 /nfs/dbraw/zinc/98/35/70/1177983570.db2.gz DDUJEJCDGHHDDJ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001707262489 1177983575 /nfs/dbraw/zinc/98/35/75/1177983575.db2.gz DDUJEJCDGHHDDJ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001707262489 1177983580 /nfs/dbraw/zinc/98/35/80/1177983580.db2.gz DDUJEJCDGHHDDJ-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001713105212 1178369565 /nfs/dbraw/zinc/36/95/65/1178369565.db2.gz PSXAIUBBPROJTB-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001713408779 1178542834 /nfs/dbraw/zinc/54/28/34/1178542834.db2.gz BBEOQJIXXPEHRB-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001713540169 1178632997 /nfs/dbraw/zinc/63/29/97/1178632997.db2.gz UNIYUJCXYIWZOY-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001713540169 1178632999 /nfs/dbraw/zinc/63/29/99/1178632999.db2.gz UNIYUJCXYIWZOY-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001713540169 1178633002 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CDEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713752005 1178738615 /nfs/dbraw/zinc/73/86/15/1178738615.db2.gz HCTPFTBNXWDLHB-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713752005 1178738619 /nfs/dbraw/zinc/73/86/19/1178738619.db2.gz HCTPFTBNXWDLHB-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001714080871 1178965116 /nfs/dbraw/zinc/96/51/16/1178965116.db2.gz ZGVKGCGABVLRRP-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714547197 1179203105 /nfs/dbraw/zinc/20/31/05/1179203105.db2.gz HYEUUVFRPNNXAX-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714547197 1179203112 /nfs/dbraw/zinc/20/31/12/1179203112.db2.gz HYEUUVFRPNNXAX-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714547197 1179203119 /nfs/dbraw/zinc/20/31/19/1179203119.db2.gz HYEUUVFRPNNXAX-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714570377 1179225222 /nfs/dbraw/zinc/22/52/22/1179225222.db2.gz RDMIRNOGKJGZAN-UHFFFAOYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001714583491 1179241014 /nfs/dbraw/zinc/24/10/14/1179241014.db2.gz ALIXJVXBFROJMS-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001714583491 1179241019 /nfs/dbraw/zinc/24/10/19/1179241019.db2.gz ALIXJVXBFROJMS-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001714583491 1179241025 /nfs/dbraw/zinc/24/10/25/1179241025.db2.gz ALIXJVXBFROJMS-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001714713301 1179352301 /nfs/dbraw/zinc/35/23/01/1179352301.db2.gz BVZPQGMUTSCNTQ-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001714862047 1179425287 /nfs/dbraw/zinc/42/52/87/1179425287.db2.gz FTGRLPRDYIIGFF-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714862047 1179425291 /nfs/dbraw/zinc/42/52/91/1179425291.db2.gz FTGRLPRDYIIGFF-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714862047 1179425295 /nfs/dbraw/zinc/42/52/95/1179425295.db2.gz FTGRLPRDYIIGFF-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001715031231 1179517761 /nfs/dbraw/zinc/51/77/61/1179517761.db2.gz JSDCHPSZLZMASM-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001715729143 1179782161 /nfs/dbraw/zinc/78/21/61/1179782161.db2.gz MTLSBZZPYJWNOQ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715857784 1179873432 /nfs/dbraw/zinc/87/34/32/1179873432.db2.gz GFFIBEFKVAGSGH-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715857784 1179873441 /nfs/dbraw/zinc/87/34/41/1179873441.db2.gz GFFIBEFKVAGSGH-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715857784 1179873448 /nfs/dbraw/zinc/87/34/48/1179873448.db2.gz GFFIBEFKVAGSGH-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001715870486 1179885189 /nfs/dbraw/zinc/88/51/89/1179885189.db2.gz VAWCOSAXTMASKR-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715870486 1179885200 /nfs/dbraw/zinc/88/52/00/1179885200.db2.gz VAWCOSAXTMASKR-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001715870486 1179885212 /nfs/dbraw/zinc/88/52/12/1179885212.db2.gz VAWCOSAXTMASKR-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715879786 1179893602 /nfs/dbraw/zinc/89/36/02/1179893602.db2.gz VOKOTMQVLGRBRM-PTZVLDCSSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001716014193 1179985346 /nfs/dbraw/zinc/98/53/46/1179985346.db2.gz QDSGMXHRCDEOHC-UHFFFAOYSA-N 2 1 279.428 1.276 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001716142056 1180069629 /nfs/dbraw/zinc/06/96/29/1180069629.db2.gz MTPBZROXUGAQEJ-MELADBBJSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001716670085 1180355186 /nfs/dbraw/zinc/35/51/86/1180355186.db2.gz APISBLNKZAAHQF-AWEZNQCLSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001716874568 1180449625 /nfs/dbraw/zinc/44/96/25/1180449625.db2.gz MEJPLCAVYJLCBR-WBVHZDCISA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001716901144 1180457976 /nfs/dbraw/zinc/45/79/76/1180457976.db2.gz CDUJWRCBHYJWAM-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001716901144 1180457980 /nfs/dbraw/zinc/45/79/80/1180457980.db2.gz CDUJWRCBHYJWAM-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001716901144 1180457985 /nfs/dbraw/zinc/45/79/85/1180457985.db2.gz CDUJWRCBHYJWAM-MRXNPFEDSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001717084059 1180527268 /nfs/dbraw/zinc/52/72/68/1180527268.db2.gz HICRINPVDNTSRZ-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001717126045 1180537701 /nfs/dbraw/zinc/53/77/01/1180537701.db2.gz YGQFHVBQLXIHRP-SHTZXODSSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001717376809 1180637729 /nfs/dbraw/zinc/63/77/29/1180637729.db2.gz YDZPGPUNRPMIIZ-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001717376832 1180637813 /nfs/dbraw/zinc/63/78/13/1180637813.db2.gz YVYAOGNHTMAJBS-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001717394505 1180646123 /nfs/dbraw/zinc/64/61/23/1180646123.db2.gz NPAHNWXSBGESGP-UYSNPLJNSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H]1C ZINC001717854905 1180895629 /nfs/dbraw/zinc/89/56/29/1180895629.db2.gz ZWUAWYDIHDGPKX-UONOGXRCSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001724185500 1181650407 /nfs/dbraw/zinc/65/04/07/1181650407.db2.gz ZHRQPDGDEANXGP-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001724185500 1181650411 /nfs/dbraw/zinc/65/04/11/1181650411.db2.gz ZHRQPDGDEANXGP-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001724185500 1181650416 /nfs/dbraw/zinc/65/04/16/1181650416.db2.gz ZHRQPDGDEANXGP-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CCC1 ZINC001724799782 1181758422 /nfs/dbraw/zinc/75/84/22/1181758422.db2.gz HUWICPLLLAXMPO-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001725084775 1181851426 /nfs/dbraw/zinc/85/14/26/1181851426.db2.gz CONSDXWGIJHRPN-OLZOCXBDSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001725499298 1182025915 /nfs/dbraw/zinc/02/59/15/1182025915.db2.gz XLTDQQHNOCIMNG-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731453547 1182392271 /nfs/dbraw/zinc/39/22/71/1182392271.db2.gz OHVYFZRUISCILW-JOCQHMNTSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)Cc2ccccc2)C1 ZINC001731684201 1182517395 /nfs/dbraw/zinc/51/73/95/1182517395.db2.gz GXFFCULIEYYXIF-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)Cc2ccccc2)C1 ZINC001731684201 1182517398 /nfs/dbraw/zinc/51/73/98/1182517398.db2.gz GXFFCULIEYYXIF-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731810018 1182598257 /nfs/dbraw/zinc/59/82/57/1182598257.db2.gz PESHOUBOQPFEDD-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731857830 1182631411 /nfs/dbraw/zinc/63/14/11/1182631411.db2.gz NBFKGLXIKDSCSB-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001731925141 1182681147 /nfs/dbraw/zinc/68/11/47/1182681147.db2.gz FNKGUSICZJARQH-UHFFFAOYSA-N 2 1 294.399 1.364 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001732562493 1183011240 /nfs/dbraw/zinc/01/12/40/1183011240.db2.gz CNKTYTQFAKFFGW-RBSFLKMASA-N 2 1 281.444 1.633 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001732913657 1183181916 /nfs/dbraw/zinc/18/19/16/1183181916.db2.gz PBEYYHDOPLKMQS-AATRIKPKSA-N 2 1 276.384 1.455 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001733413416 1183425748 /nfs/dbraw/zinc/42/57/48/1183425748.db2.gz RNYSXBCPGDDQNN-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001733413416 1183425749 /nfs/dbraw/zinc/42/57/49/1183425749.db2.gz RNYSXBCPGDDQNN-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001733413416 1183425750 /nfs/dbraw/zinc/42/57/50/1183425750.db2.gz RNYSXBCPGDDQNN-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001733649972 1183489992 /nfs/dbraw/zinc/48/99/92/1183489992.db2.gz VYVKMCBLJVHZMY-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733917626 1183567552 /nfs/dbraw/zinc/56/75/52/1183567552.db2.gz DCBALCJCTKEUMM-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001733917626 1183567554 /nfs/dbraw/zinc/56/75/54/1183567554.db2.gz DCBALCJCTKEUMM-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)Cn1c[nH+]cc1C)C(C)C ZINC001734080460 1183649985 /nfs/dbraw/zinc/64/99/85/1183649985.db2.gz VDYFNZMUXQWFRU-HNNXBMFYSA-N 2 1 290.411 1.287 10 30 CDEEMP C#CCC[NH2+]CCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001734252109 1183704817 /nfs/dbraw/zinc/70/48/17/1183704817.db2.gz FWVLJVFKXQEZJS-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001734263353 1183707972 /nfs/dbraw/zinc/70/79/72/1183707972.db2.gz OYECBOBJWSBLSE-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC=C)C1 ZINC001734596167 1183839966 /nfs/dbraw/zinc/83/99/66/1183839966.db2.gz HSYHXYUQRREFIF-GPANFISMSA-N 2 1 289.423 1.239 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCC=C)C1 ZINC001734596167 1183839970 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C#CC[N@H+](C)CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000815652165 820859672 /nfs/dbraw/zinc/85/96/72/820859672.db2.gz RORWGZVLCXOGOR-INIZCTEOSA-N 2 1 271.408 1.810 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000815652165 820859673 /nfs/dbraw/zinc/85/96/73/820859673.db2.gz RORWGZVLCXOGOR-INIZCTEOSA-N 2 1 271.408 1.810 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000876739882 821763273 /nfs/dbraw/zinc/76/32/73/821763273.db2.gz JUMMRFHACIYKQL-QWHCGFSZSA-N 2 1 287.835 1.693 10 30 CDEEMP CN1C[C@]2(C)C[N@@H+](C[C@H](O)CC3(C#N)CC3)C[C@]2(C)C1 ZINC000931315987 822144729 /nfs/dbraw/zinc/14/47/29/822144729.db2.gz FIQVZABXCQOTAJ-KFWWJZLASA-N 2 1 277.412 1.315 10 30 CDEEMP C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)CC3(C#N)CC3)C[C@@]2(C)C1 ZINC000931315987 822144778 /nfs/dbraw/zinc/14/47/78/822144778.db2.gz FIQVZABXCQOTAJ-KFWWJZLASA-N 2 1 277.412 1.315 10 30 CDEEMP C[N@H+]1C[C@@]2(C)CN(C[C@H](O)CC3(C#N)CC3)C[C@@]2(C)C1 ZINC000931315987 822144799 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263.385 1.067 10 30 CDEEMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581447 822478169 /nfs/dbraw/zinc/47/81/69/822478169.db2.gz ZTOKKJSRYHPINU-MGPQQGTHSA-N 2 1 263.385 1.067 10 30 CDEEMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581447 822478177 /nfs/dbraw/zinc/47/81/77/822478177.db2.gz ZTOKKJSRYHPINU-MGPQQGTHSA-N 2 1 263.385 1.067 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581447 822478189 /nfs/dbraw/zinc/47/81/89/822478189.db2.gz ZTOKKJSRYHPINU-MGPQQGTHSA-N 2 1 263.385 1.067 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001565827817 1168175359 /nfs/dbraw/zinc/17/53/59/1168175359.db2.gz HHOWPPPNAALNMF-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001565827817 1168175367 /nfs/dbraw/zinc/17/53/67/1168175367.db2.gz HHOWPPPNAALNMF-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C 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CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001481404515 900567853 /nfs/dbraw/zinc/56/78/53/900567853.db2.gz NQQXVLFROYIRRY-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481404515 900567861 /nfs/dbraw/zinc/56/78/61/900567861.db2.gz NQQXVLFROYIRRY-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C)CC(C)C ZINC001268105935 901300202 /nfs/dbraw/zinc/30/02/02/901300202.db2.gz OIOYAJWDRJQNNM-HOTGVXAUSA-N 2 1 291.439 1.391 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC=C)CC(C)C ZINC001268105935 901300208 /nfs/dbraw/zinc/30/02/08/901300208.db2.gz OIOYAJWDRJQNNM-HOTGVXAUSA-N 2 1 291.439 1.391 10 30 CDEEMP C=CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268110510 901312281 /nfs/dbraw/zinc/31/22/81/901312281.db2.gz GMRDBHOJFMQUTJ-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001268236653 901633911 /nfs/dbraw/zinc/63/39/11/901633911.db2.gz LEYNYRGYANRKOS-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001268236653 901633914 /nfs/dbraw/zinc/63/39/14/901633914.db2.gz LEYNYRGYANRKOS-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CC[C@H](C)F ZINC001268239790 901646784 /nfs/dbraw/zinc/64/67/84/901646784.db2.gz VJUPALTWZBYBLS-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CC[C@H](C)F ZINC001268239790 901646789 /nfs/dbraw/zinc/64/67/89/901646789.db2.gz VJUPALTWZBYBLS-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@H](C)F ZINC001268239790 901646796 /nfs/dbraw/zinc/64/67/96/901646796.db2.gz VJUPALTWZBYBLS-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC[C@H](C)F ZINC001268239790 901646800 /nfs/dbraw/zinc/64/68/00/901646800.db2.gz VJUPALTWZBYBLS-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001482002248 902457785 /nfs/dbraw/zinc/45/77/85/902457785.db2.gz DWZBWBLNBSGGFG-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001269332015 903703259 /nfs/dbraw/zinc/70/32/59/903703259.db2.gz MNOBWDDGBCDFQN-GJZGRUSLSA-N 2 1 291.439 1.627 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001269438138 903807967 /nfs/dbraw/zinc/80/79/67/903807967.db2.gz ZWALCXGSRQQYAU-CYBMUJFWSA-N 2 1 265.401 1.285 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269489089 903854482 /nfs/dbraw/zinc/85/44/82/903854482.db2.gz GSSVGAGZLTUPKG-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001269798497 904120329 /nfs/dbraw/zinc/12/03/29/904120329.db2.gz MWKDKUHUZJSRPZ-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001284640611 904132628 /nfs/dbraw/zinc/13/26/28/904132628.db2.gz GONUVGREPROWOY-HUUCEWRRSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001270166184 904409965 /nfs/dbraw/zinc/40/99/65/904409965.db2.gz TZGJWPPIDNDSNF-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482458254 905669411 /nfs/dbraw/zinc/66/94/11/905669411.db2.gz CAJXYZBYKARQDA-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001482536610 906936152 /nfs/dbraw/zinc/93/61/52/906936152.db2.gz WPXUFNFRQRIFET-CVEARBPZSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(C)C)C(C)C ZINC001482536610 906936162 /nfs/dbraw/zinc/93/61/62/906936162.db2.gz WPXUFNFRQRIFET-CVEARBPZSA-N 2 1 293.455 1.470 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001568072903 1169133120 /nfs/dbraw/zinc/13/31/20/1169133120.db2.gz ILZCYTGKBSZZOI-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001485525848 917062075 /nfs/dbraw/zinc/06/20/75/917062075.db2.gz INEVFZIBHLQMCB-AWEZNQCLSA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763379 917262169 /nfs/dbraw/zinc/26/21/69/917262169.db2.gz SHIYKVLNAZTIJZ-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001485766995 917266870 /nfs/dbraw/zinc/26/68/70/917266870.db2.gz NEKQCHDLTPCZGJ-UHFFFAOYSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001273524497 920110231 /nfs/dbraw/zinc/11/02/31/920110231.db2.gz YKLVGUHIYSGMBD-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC001273524497 920110243 /nfs/dbraw/zinc/11/02/43/920110243.db2.gz YKLVGUHIYSGMBD-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001273524497 920110251 /nfs/dbraw/zinc/11/02/51/920110251.db2.gz YKLVGUHIYSGMBD-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001491126444 936862320 /nfs/dbraw/zinc/86/23/20/936862320.db2.gz YGZFVBRYLWBRJD-CABCVRRESA-N 2 1 279.428 1.034 10 30 CDEEMP C=CCCn1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)nn1 ZINC000923495150 923872273 /nfs/dbraw/zinc/87/22/73/923872273.db2.gz ULLIUMBZPYIIGT-OLZOCXBDSA-N 2 1 263.389 1.271 10 30 CDEEMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001491211162 936876698 /nfs/dbraw/zinc/87/66/98/936876698.db2.gz YLNQADCYGBXOOM-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001491211162 936876701 /nfs/dbraw/zinc/87/67/01/936876701.db2.gz YLNQADCYGBXOOM-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001491211162 936876704 /nfs/dbraw/zinc/87/67/04/936876704.db2.gz YLNQADCYGBXOOM-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001495669549 936919427 /nfs/dbraw/zinc/91/94/27/936919427.db2.gz RRTXXSZTHXGGOA-RRFJBIMHSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568417240 1169279062 /nfs/dbraw/zinc/27/90/62/1169279062.db2.gz UMXNHLYVRHVNLZ-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001274152711 931205583 /nfs/dbraw/zinc/20/55/83/931205583.db2.gz HIDRCFWKZPFRQN-MWWKQMNYSA-N 2 1 291.439 1.392 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001274278783 931487281 /nfs/dbraw/zinc/48/72/81/931487281.db2.gz BRQJMWJAYDNMPB-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273444352 932825758 /nfs/dbraw/zinc/82/57/58/932825758.db2.gz AVUXIVWHMYYKNY-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[N@@H+](C)C(C)(C)C2)CCC[NH2+]1 ZINC001119309192 937708226 /nfs/dbraw/zinc/70/82/26/937708226.db2.gz HPQFURBARNQCTH-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[N@H+](C)C(C)(C)C2)CCC[NH2+]1 ZINC001119309192 937708227 /nfs/dbraw/zinc/70/82/27/937708227.db2.gz HPQFURBARNQCTH-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001277189606 942151342 /nfs/dbraw/zinc/15/13/42/942151342.db2.gz QVCSXKCNILPEMI-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001281458367 942579246 /nfs/dbraw/zinc/57/92/46/942579246.db2.gz OQSMOIRHGZPLIH-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001281956968 942636533 /nfs/dbraw/zinc/63/65/33/942636533.db2.gz NRDZHRDMMREPNQ-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281956968 942636543 /nfs/dbraw/zinc/63/65/43/942636543.db2.gz NRDZHRDMMREPNQ-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001281956968 942636548 /nfs/dbraw/zinc/63/65/48/942636548.db2.gz NRDZHRDMMREPNQ-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157872 944091490 /nfs/dbraw/zinc/09/14/90/944091490.db2.gz VVQBLRFVMYGDLC-KGLIPLIRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001264399823 944126793 /nfs/dbraw/zinc/12/67/93/944126793.db2.gz MWNAUJMLXNZJGA-LVQVYYBASA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265397358 944372998 /nfs/dbraw/zinc/37/29/98/944372998.db2.gz XGLIPZVHCHEUGU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001265397358 944373004 /nfs/dbraw/zinc/37/30/04/944373004.db2.gz XGLIPZVHCHEUGU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001265397358 944373013 /nfs/dbraw/zinc/37/30/13/944373013.db2.gz XGLIPZVHCHEUGU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265704840 944476354 /nfs/dbraw/zinc/47/63/54/944476354.db2.gz AQSPZYUZFWZTPR-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001265783600 944508306 /nfs/dbraw/zinc/50/83/06/944508306.db2.gz NSNJZSARDMXJLV-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266008790 944625169 /nfs/dbraw/zinc/62/51/69/944625169.db2.gz JQYLUIZJFPDPBS-KKUMJFAQSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001266006031 944625868 /nfs/dbraw/zinc/62/58/68/944625868.db2.gz GZQWQXNOIUZXPB-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266222205 944767458 /nfs/dbraw/zinc/76/74/58/944767458.db2.gz PRTQVTYYXVBXDV-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001266222205 944767469 /nfs/dbraw/zinc/76/74/69/944767469.db2.gz PRTQVTYYXVBXDV-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001266222205 944767453 /nfs/dbraw/zinc/76/74/53/944767453.db2.gz PRTQVTYYXVBXDV-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001279416229 944802764 /nfs/dbraw/zinc/80/27/64/944802764.db2.gz NAMVRWOABNOHDU-GASCZTMLSA-N 2 1 279.428 1.293 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001479375033 971314618 /nfs/dbraw/zinc/31/46/18/971314618.db2.gz LPQGCJKLNDVFBB-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001479988564 971525031 /nfs/dbraw/zinc/52/50/31/971525031.db2.gz RDGLPMXVQCRVRH-CQSZACIVSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480143103 971600582 /nfs/dbraw/zinc/60/05/82/971600582.db2.gz YQSMTOYODBGNBM-HDJSIYSDSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001480174688 971613773 /nfs/dbraw/zinc/61/37/73/971613773.db2.gz YEWKLTVRPHMEJH-KKUMJFAQSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001480187798 971617188 /nfs/dbraw/zinc/61/71/88/971617188.db2.gz DRMYNYZSDSSRNN-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001278580743 950257337 /nfs/dbraw/zinc/25/73/37/950257337.db2.gz SBCUOQGPROTVDF-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001293716191 954402301 /nfs/dbraw/zinc/40/23/01/954402301.db2.gz UZQDOPGRFIXPRQ-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001293716191 954402306 /nfs/dbraw/zinc/40/23/06/954402306.db2.gz UZQDOPGRFIXPRQ-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001293716191 954402313 /nfs/dbraw/zinc/40/23/13/954402313.db2.gz UZQDOPGRFIXPRQ-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](C(C)C)C2)CC1 ZINC001293716191 954402317 /nfs/dbraw/zinc/40/23/17/954402317.db2.gz UZQDOPGRFIXPRQ-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C)C2 ZINC001327529225 954921142 /nfs/dbraw/zinc/92/11/42/954921142.db2.gz GUKHHPRXUSPCRJ-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001569246806 1169735260 /nfs/dbraw/zinc/73/52/60/1169735260.db2.gz QDXBWHHPLBEEHB-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001494443556 972233163 /nfs/dbraw/zinc/23/31/63/972233163.db2.gz JFYLVKWNPVYTED-UHFFFAOYSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001331473456 957087206 /nfs/dbraw/zinc/08/72/06/957087206.db2.gz FRTMNISUPKNCRP-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001316943237 957143542 /nfs/dbraw/zinc/14/35/42/957143542.db2.gz FACUQQHAGZFCRM-GJZGRUSLSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317194293 957336924 /nfs/dbraw/zinc/33/69/24/957336924.db2.gz WYZXCFPZGGEICF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)CN(C)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001425055593 957456711 /nfs/dbraw/zinc/45/67/11/957456711.db2.gz ZJYAUQMXWRCMNL-HIFRSBDPSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001317535697 957533891 /nfs/dbraw/zinc/53/38/91/957533891.db2.gz KARCXDRHCFFUMG-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001332806589 957851754 /nfs/dbraw/zinc/85/17/54/957851754.db2.gz LQAQIZSHFOJOJP-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001318686075 958228962 /nfs/dbraw/zinc/22/89/62/958228962.db2.gz HYZWJHOJPZWRAY-GOEBONIOSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494906787 972335326 /nfs/dbraw/zinc/33/53/26/972335326.db2.gz VBYPMALZCDNVGN-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494906787 972335328 /nfs/dbraw/zinc/33/53/28/972335328.db2.gz VBYPMALZCDNVGN-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494906787 972335334 /nfs/dbraw/zinc/33/53/34/972335334.db2.gz VBYPMALZCDNVGN-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001319146371 958394540 /nfs/dbraw/zinc/39/45/40/958394540.db2.gz ZQVKRQWNKDPEAB-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001319255909 958459663 /nfs/dbraw/zinc/45/96/63/958459663.db2.gz BMLPSTFIRYDJBP-CHWSQXEVSA-N 2 1 278.400 1.506 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321084008 959581533 /nfs/dbraw/zinc/58/15/33/959581533.db2.gz NESJOYLXUCUSHR-LLYBFZRZSA-N 2 1 279.428 1.699 10 30 CDEEMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001495247814 972458252 /nfs/dbraw/zinc/45/82/52/972458252.db2.gz FYWXPJHVIPGDKW-DOTOQJQBSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001495396967 972487363 /nfs/dbraw/zinc/48/73/63/972487363.db2.gz OZYBHGCAKUKNHG-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH2+]C(C)(C)C ZINC001556465990 965044447 /nfs/dbraw/zinc/04/44/47/965044447.db2.gz FUDRQLALQIZYAJ-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC001544237755 967349114 /nfs/dbraw/zinc/34/91/14/967349114.db2.gz MQWYUUZBTGJXSP-CQSZACIVSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H](C)N1CCSCC1 ZINC001556466885 967444650 /nfs/dbraw/zinc/44/46/50/967444650.db2.gz QNUSFFNRHHICMM-CQSZACIVSA-N 2 1 299.484 1.390 10 30 CDEEMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H](C)[NH+]1CCSCC1 ZINC001556466885 967444655 /nfs/dbraw/zinc/44/46/55/967444655.db2.gz QNUSFFNRHHICMM-CQSZACIVSA-N 2 1 299.484 1.390 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC001461991244 969660320 /nfs/dbraw/zinc/66/03/20/969660320.db2.gz BHEIDVZKJKMBKP-ZBFHGGJFSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001372539202 973005423 /nfs/dbraw/zinc/00/54/23/973005423.db2.gz AUULZIDAAWCNLN-GFCCVEGCSA-N 2 1 273.808 1.271 10 30 CDEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001372539202 973005434 /nfs/dbraw/zinc/00/54/34/973005434.db2.gz AUULZIDAAWCNLN-GFCCVEGCSA-N 2 1 273.808 1.271 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001496734517 973074682 /nfs/dbraw/zinc/07/46/82/973074682.db2.gz GAKNIJNRXSRBCD-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001496734517 973074692 /nfs/dbraw/zinc/07/46/92/973074692.db2.gz GAKNIJNRXSRBCD-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001496734517 973074704 /nfs/dbraw/zinc/07/47/04/973074704.db2.gz GAKNIJNRXSRBCD-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498399891 973888240 /nfs/dbraw/zinc/88/82/40/973888240.db2.gz ROCUYPFGONZHKS-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001501422584 974582525 /nfs/dbraw/zinc/58/25/25/974582525.db2.gz WKACAOXIUVHEML-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@H](C)F ZINC001503263320 974817376 /nfs/dbraw/zinc/81/73/76/974817376.db2.gz GZWMRKPTJCURGQ-KKUMJFAQSA-N 2 1 297.418 1.317 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC[C@H](C)F ZINC001503263320 974817380 /nfs/dbraw/zinc/81/73/80/974817380.db2.gz GZWMRKPTJCURGQ-KKUMJFAQSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001505962962 975061219 /nfs/dbraw/zinc/06/12/19/975061219.db2.gz GUHOLAGEKJOLQJ-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001505962962 975061224 /nfs/dbraw/zinc/06/12/24/975061224.db2.gz GUHOLAGEKJOLQJ-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001506936901 975266654 /nfs/dbraw/zinc/26/66/54/975266654.db2.gz WUSMSEURWYBVQM-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001675480643 1174118356 /nfs/dbraw/zinc/11/83/56/1174118356.db2.gz RGLLWCUVPPKHIR-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001675874102 1174160051 /nfs/dbraw/zinc/16/00/51/1174160051.db2.gz HWJKRXHSPXUETE-GJZGRUSLSA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001675874102 1174160060 /nfs/dbraw/zinc/16/00/60/1174160060.db2.gz HWJKRXHSPXUETE-GJZGRUSLSA-N 2 1 297.443 1.158 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001677265997 1174343009 /nfs/dbraw/zinc/34/30/09/1174343009.db2.gz ADRDKFDTWISGGL-AWEZNQCLSA-N 2 1 290.411 1.335 10 30 CDEEMP N#CCCN1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000601333646 342555087 /nfs/dbraw/zinc/55/50/87/342555087.db2.gz UGFHHCSCEAYGIS-UHFFFAOYSA-N 2 1 284.407 1.364 10 30 CDEEMP C=CCCC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000091593934 342405816 /nfs/dbraw/zinc/40/58/16/342405816.db2.gz MSJWHFHHKBUZPZ-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342724343 356148174 /nfs/dbraw/zinc/14/81/74/356148174.db2.gz HFMBAPYEYAUAKB-LBPRGKRZSA-N 2 1 271.368 1.636 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001660699352 1172260479 /nfs/dbraw/zinc/26/04/79/1172260479.db2.gz AUQNPLGRPXDXKV-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001660699352 1172260484 /nfs/dbraw/zinc/26/04/84/1172260484.db2.gz AUQNPLGRPXDXKV-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001660699352 1172260489 /nfs/dbraw/zinc/26/04/89/1172260489.db2.gz AUQNPLGRPXDXKV-OAHLLOKOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001661226903 1172355889 /nfs/dbraw/zinc/35/58/89/1172355889.db2.gz LEQDYSNIORWHLW-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC[NH+](CC#CC[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000361597552 368926965 /nfs/dbraw/zinc/92/69/65/368926965.db2.gz ZDZRYHPWFRSFJD-HOTGVXAUSA-N 2 1 280.412 1.211 10 30 CDEEMP C[C@H]1C[N@@H+](CCCNCc2nc(C#N)cs2)CCCO1 ZINC000352862405 374362936 /nfs/dbraw/zinc/36/29/36/374362936.db2.gz OEKWYUAMWNHPIN-LBPRGKRZSA-N 2 1 294.424 1.605 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nn1 ZINC000655940608 412954051 /nfs/dbraw/zinc/95/40/51/412954051.db2.gz DHHBAEARSDDXCP-MRXNPFEDSA-N 2 1 289.427 1.818 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663276194 1172665345 /nfs/dbraw/zinc/66/53/45/1172665345.db2.gz GBPWHZINSCTYHN-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663276194 1172665349 /nfs/dbraw/zinc/66/53/49/1172665349.db2.gz GBPWHZINSCTYHN-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001663276194 1172665356 /nfs/dbraw/zinc/66/53/56/1172665356.db2.gz GBPWHZINSCTYHN-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)Cn1ccnc1)C(C)C ZINC001664561889 1172867472 /nfs/dbraw/zinc/86/74/72/1172867472.db2.gz QWBWSAWWGUTCES-UHFFFAOYSA-N 2 1 276.384 1.123 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662700339 413338898 /nfs/dbraw/zinc/33/88/98/413338898.db2.gz HLXZIXQZMJZBPK-HIFRSBDPSA-N 2 1 265.401 1.143 10 30 CDEEMP COCCC[N@@H+](CCOC)Cc1sccc1C#CC[NH3+] ZINC000043684092 175092071 /nfs/dbraw/zinc/09/20/71/175092071.db2.gz ZSFFBOSAHZJNIC-UHFFFAOYSA-N 2 1 296.436 1.543 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043684277 175092700 /nfs/dbraw/zinc/09/27/00/175092700.db2.gz BHKWJEIJURRBPS-KBPBESRZSA-N 2 1 276.405 1.812 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000043684277 175092701 /nfs/dbraw/zinc/09/27/01/175092701.db2.gz BHKWJEIJURRBPS-KBPBESRZSA-N 2 1 276.405 1.812 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190510 176066964 /nfs/dbraw/zinc/06/69/64/176066964.db2.gz UYHDXKZIGIMNGM-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@H+](Cc1sccc1C#CCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190510 176066966 /nfs/dbraw/zinc/06/69/66/176066966.db2.gz UYHDXKZIGIMNGM-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1sccc1C#CCO)C[C@@H]1CC[N@H+](C)C1 ZINC000071190510 176066967 /nfs/dbraw/zinc/06/69/67/176066967.db2.gz UYHDXKZIGIMNGM-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1sccc1C#CCO)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190510 176066968 /nfs/dbraw/zinc/06/69/68/176066968.db2.gz UYHDXKZIGIMNGM-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C#CC[N@H+](C)CCC1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001667426489 1173265509 /nfs/dbraw/zinc/26/55/09/1173265509.db2.gz ONCHNKSDJFIXCH-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001667520012 1173279794 /nfs/dbraw/zinc/27/97/94/1173279794.db2.gz RWZFSQJZTGQCHC-CQSZACIVSA-N 2 1 278.400 1.498 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001669832715 1173617565 /nfs/dbraw/zinc/61/75/65/1173617565.db2.gz HNFFMCYSVKPDSH-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC001673478239 1173860831 /nfs/dbraw/zinc/86/08/31/1173860831.db2.gz FCZBIRJLVQACJF-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000183674844 329251850 /nfs/dbraw/zinc/25/18/50/329251850.db2.gz ATJMRZQZCHIENW-GFCCVEGCSA-N 2 1 297.362 1.471 10 30 CDEEMP [NH2+]=C(NC1CCCCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262490694 330017267 /nfs/dbraw/zinc/01/72/67/330017267.db2.gz XFQGHMNKLIMNTL-GFCCVEGCSA-N 2 1 261.373 1.435 10 30 CDEEMP C[NH+]=C(NC1CC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262814604 330033496 /nfs/dbraw/zinc/03/34/96/330033496.db2.gz RSAYYXVOMAXKEY-LBPRGKRZSA-N 2 1 250.390 1.331 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001670793912 1159857038 /nfs/dbraw/zinc/85/70/38/1159857038.db2.gz ZHXKJEGUBMRMGF-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001700890818 1160070926 /nfs/dbraw/zinc/07/09/26/1160070926.db2.gz XAVQXSXZHZEPJV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001700890818 1160070933 /nfs/dbraw/zinc/07/09/33/1160070933.db2.gz XAVQXSXZHZEPJV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001700890818 1160070941 /nfs/dbraw/zinc/07/09/41/1160070941.db2.gz XAVQXSXZHZEPJV-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC[N@H+]1CCC[C@@H](NC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000049232058 521623178 /nfs/dbraw/zinc/62/31/78/521623178.db2.gz SGPGTGVPJRUXHK-MRXNPFEDSA-N 2 1 285.391 1.211 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C1CCOCC1 ZINC000049609335 522903094 /nfs/dbraw/zinc/90/30/94/522903094.db2.gz HOCBKENZFAUBDN-UHFFFAOYSA-N 2 1 288.391 1.486 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001677624878 1174380272 /nfs/dbraw/zinc/38/02/72/1174380272.db2.gz WTXUQFAYHZHLOO-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCCSCC1 ZINC000049609937 527152864 /nfs/dbraw/zinc/15/28/64/527152864.db2.gz KCFCROQZGXJYHA-UHFFFAOYSA-N 2 1 260.406 1.936 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690040031 1175355676 /nfs/dbraw/zinc/35/56/76/1175355676.db2.gz 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CDEEMP C#CCC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001567711672 1168931072 /nfs/dbraw/zinc/93/10/72/1168931072.db2.gz DVMRICJWIYFTDN-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001567711672 1168931081 /nfs/dbraw/zinc/93/10/81/1168931081.db2.gz DVMRICJWIYFTDN-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001569305953 1169757860 /nfs/dbraw/zinc/75/78/60/1169757860.db2.gz DPPBBVNTTVKLML-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001569980835 1170053270 /nfs/dbraw/zinc/05/32/70/1170053270.db2.gz NHLIGAXBOWHPJR-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001660695208 1172259507 /nfs/dbraw/zinc/25/95/07/1172259507.db2.gz FMEWKKGJEGCWRN-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001660695208 1172259512 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CDEEMP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001670051635 1173649978 /nfs/dbraw/zinc/64/99/78/1173649978.db2.gz XSIVSWQOMXOVEZ-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001670051635 1173649983 /nfs/dbraw/zinc/64/99/83/1173649983.db2.gz XSIVSWQOMXOVEZ-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001673982220 1173903858 /nfs/dbraw/zinc/90/38/58/1173903858.db2.gz QBJOZUBYQLRQLW-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690405382 1175463812 /nfs/dbraw/zinc/46/38/12/1175463812.db2.gz JAPMXTYGUSOJQK-OWCLPIDISA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001692260756 1175719882 /nfs/dbraw/zinc/71/98/82/1175719882.db2.gz QDPOXTWPPUPCSI-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001698654802 1175887958 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C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001700409928 1176912793 /nfs/dbraw/zinc/91/27/93/1176912793.db2.gz RPRZMAGLIYACAG-KBPBESRZSA-N 2 1 278.400 1.641 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001700488116 1176977391 /nfs/dbraw/zinc/97/73/91/1176977391.db2.gz RCZQFTIOIMSSIW-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001700574211 1177020509 /nfs/dbraw/zinc/02/05/09/1177020509.db2.gz NADFLOQNGWUHRS-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001700769051 1177123666 /nfs/dbraw/zinc/12/36/66/1177123666.db2.gz VNLNHYKIXQLSGR-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C(=O)CCC[NH+](C)C)C(C)C ZINC001700972436 1177217678 /nfs/dbraw/zinc/21/76/78/1177217678.db2.gz INSNJPNRYQWAQU-UHFFFAOYSA-N 2 1 281.444 1.520 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001723975959 1178136642 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C=C(Cl)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001713768468 1178745461 /nfs/dbraw/zinc/74/54/61/1178745461.db2.gz VZTWIJLLFYFYQM-CQSZACIVSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(Cl)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001713768468 1178745464 /nfs/dbraw/zinc/74/54/64/1178745464.db2.gz VZTWIJLLFYFYQM-CQSZACIVSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(Cl)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001713768468 1178745467 /nfs/dbraw/zinc/74/54/67/1178745467.db2.gz VZTWIJLLFYFYQM-CQSZACIVSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001713838555 1178787598 /nfs/dbraw/zinc/78/75/98/1178787598.db2.gz QTJWNKRDKAUAMH-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001714033130 1178937646 /nfs/dbraw/zinc/93/76/46/1178937646.db2.gz SPZHGZBIEBJJBL-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714033130 1178937651 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CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H](C)F ZINC001715826049 1179851337 /nfs/dbraw/zinc/85/13/37/1179851337.db2.gz ILNHJLJWFQOASQ-NWRQEBOHSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@@H](C)F ZINC001715826049 1179851345 /nfs/dbraw/zinc/85/13/45/1179851345.db2.gz ILNHJLJWFQOASQ-NWRQEBOHSA-N 2 1 295.402 1.094 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001716002693 1179976517 /nfs/dbraw/zinc/97/65/17/1179976517.db2.gz GVUXOZVQXYTIOU-HOCLYGCPSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001716244209 1180116863 /nfs/dbraw/zinc/11/68/63/1180116863.db2.gz QPYDCDKUNAHEPY-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC001716682668 1180366545 /nfs/dbraw/zinc/36/65/45/1180366545.db2.gz SNPLAQMAKGLZNV-ZDUSSCGKSA-N 2 1 290.411 1.821 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001716984526 1180491595 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C=CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001725148158 1181882077 /nfs/dbraw/zinc/88/20/77/1181882077.db2.gz QCKAYSRIHQDFHC-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001725269016 1181946613 /nfs/dbraw/zinc/94/66/13/1181946613.db2.gz KTRYZKLDSZFWBW-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]21 ZINC001725618168 1182074018 /nfs/dbraw/zinc/07/40/18/1182074018.db2.gz IAIWSSVGEFESQX-ARFHVFGLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731515680 1182430695 /nfs/dbraw/zinc/43/06/95/1182430695.db2.gz GQDONOOJGMIXNV-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731527293 1182436161 /nfs/dbraw/zinc/43/61/61/1182436161.db2.gz QZDZQUUKLIWMAT-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001731542431 1182444051 /nfs/dbraw/zinc/44/40/51/1182444051.db2.gz VLLDICPCSCOKSF-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001731665532 1182509452 /nfs/dbraw/zinc/50/94/52/1182509452.db2.gz ZQVRSQSCDHGHQG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731835261 1182616859 /nfs/dbraw/zinc/61/68/59/1182616859.db2.gz TZGPTQODAVJSEJ-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001732519168 1182995099 /nfs/dbraw/zinc/99/50/99/1182995099.db2.gz SOWOOWZFMYGZAB-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001732623597 1183053137 /nfs/dbraw/zinc/05/31/37/1183053137.db2.gz DARUCBBLEGLSMX-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001732719582 1183098825 /nfs/dbraw/zinc/09/88/25/1183098825.db2.gz MMKFXXXDPINFOV-ILXRZTDVSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C ZINC001732959243 1183204569 /nfs/dbraw/zinc/20/45/69/1183204569.db2.gz XTYQZPJQSQIURK-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C ZINC001732959243 1183204573 /nfs/dbraw/zinc/20/45/73/1183204573.db2.gz XTYQZPJQSQIURK-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001733049695 1183264427 /nfs/dbraw/zinc/26/44/27/1183264427.db2.gz LUCWGLBOWVNMGH-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001733049695 1183264431 /nfs/dbraw/zinc/26/44/31/1183264431.db2.gz LUCWGLBOWVNMGH-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)CC ZINC001733106147 1183292603 /nfs/dbraw/zinc/29/26/03/1183292603.db2.gz KPCPYXUJSCNGLQ-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](C)CC ZINC001733106147 1183292609 /nfs/dbraw/zinc/29/26/09/1183292609.db2.gz KPCPYXUJSCNGLQ-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](F)CC ZINC001733107309 1183293203 /nfs/dbraw/zinc/29/32/03/1183293203.db2.gz UWCDSGQNTGAARX-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]C[C@H](F)CC ZINC001733107309 1183293208 /nfs/dbraw/zinc/29/32/08/1183293208.db2.gz UWCDSGQNTGAARX-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001733576116 1183469460 /nfs/dbraw/zinc/46/94/60/1183469460.db2.gz CLGRVQJFPZQYDR-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001733939172 1183576462 /nfs/dbraw/zinc/57/64/62/1183576462.db2.gz WCNLGYORPBNVJP-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733939172 1183576464 /nfs/dbraw/zinc/57/64/64/1183576464.db2.gz WCNLGYORPBNVJP-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001733939172 1183576466 /nfs/dbraw/zinc/57/64/66/1183576466.db2.gz WCNLGYORPBNVJP-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001734213372 1183693451 /nfs/dbraw/zinc/69/34/51/1183693451.db2.gz SOWHMYVQPKWADB-HDJSIYSDSA-N 2 1 276.384 1.252 10 30 CDEEMP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001734439267 1183779167 /nfs/dbraw/zinc/77/91/67/1183779167.db2.gz KCVHXOPMAXHFGT-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001734439267 1183779170 /nfs/dbraw/zinc/77/91/70/1183779170.db2.gz KCVHXOPMAXHFGT-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001734439267 1183779173 /nfs/dbraw/zinc/77/91/73/1183779173.db2.gz KCVHXOPMAXHFGT-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001734458138 1183785405 /nfs/dbraw/zinc/78/54/05/1183785405.db2.gz KSDVNGVLNBAZFK-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001734458138 1183785412 /nfs/dbraw/zinc/78/54/12/1183785412.db2.gz KSDVNGVLNBAZFK-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001734458138 1183785414 /nfs/dbraw/zinc/78/54/14/1183785414.db2.gz KSDVNGVLNBAZFK-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[C@@H]1CCN1CC(=O)NC[C@H](C)[N@H+]1CC[C@H]1CC=C ZINC000934463605 828338281 /nfs/dbraw/zinc/33/82/81/828338281.db2.gz XUWFBGUNBMHFCZ-ARFHVFGLSA-N 2 1 291.439 1.792 10 30 CDEEMP C=CC[C@@H]1CC[NH+]1[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H]1CC=C ZINC000934463605 828338292 /nfs/dbraw/zinc/33/82/92/828338292.db2.gz XUWFBGUNBMHFCZ-ARFHVFGLSA-N 2 1 291.439 1.792 10 30 CDEEMP C=CC[C@@H]1CC[NH+]1[C@@H](C)CNC(=O)C[N@H+]1CC[C@H]1CC=C ZINC000934463605 828338298 /nfs/dbraw/zinc/33/82/98/828338298.db2.gz XUWFBGUNBMHFCZ-ARFHVFGLSA-N 2 1 291.439 1.792 10 30 CDEEMP C=CC[C@@H]1CC[NH+]1CC(=O)NC[C@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934463605 828338311 /nfs/dbraw/zinc/33/83/11/828338311.db2.gz XUWFBGUNBMHFCZ-ARFHVFGLSA-N 2 1 291.439 1.792 10 30 CDEEMP C=CC[C@@H]1CC[NH+]1CC(=O)NC[C@H](C)[N@H+]1CC[C@H]1CC=C ZINC000934463605 828338320 /nfs/dbraw/zinc/33/83/20/828338320.db2.gz XUWFBGUNBMHFCZ-ARFHVFGLSA-N 2 1 291.439 1.792 10 30 CDEEMP C=CCC[C@@H](O)C[NH+]1CCC([NH2+]CCOC)CC1 ZINC000923387745 823750143 /nfs/dbraw/zinc/75/01/43/823750143.db2.gz LDOFEWYSJFSZFL-CQSZACIVSA-N 2 1 256.390 1.014 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855165437 823863948 /nfs/dbraw/zinc/86/39/48/823863948.db2.gz UZWLONWLXMTJQR-LBPRGKRZSA-N 2 1 253.390 1.093 10 30 CDEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@@H]4C[C@H]1C[C@@H]43)C2 ZINC000925729029 824178368 /nfs/dbraw/zinc/17/83/68/824178368.db2.gz ODFWASMIGKUOJU-KHHDSSOXSA-N 2 1 279.387 1.611 10 30 CDEEMP C[N@H+]1CCN(CC[NH2+]Cc2csc(C#N)c2)CC1(C)C ZINC000922098731 824189679 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C#CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001278459720 948382018 /nfs/dbraw/zinc/38/20/18/948382018.db2.gz NNCLCOHYUIVYHY-ZBFHGGJFSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001569013448 1169594900 /nfs/dbraw/zinc/59/49/00/1169594900.db2.gz OFVCXLHMPPJICW-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001479969027 971517568 /nfs/dbraw/zinc/51/75/68/971517568.db2.gz RGEZTOFDPKKRKI-LSDHHAIUSA-N 2 1 291.439 1.627 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278497615 948926820 /nfs/dbraw/zinc/92/68/20/948926820.db2.gz CTHWWPKPQAUFKT-BFYDXBDKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001480020315 971541531 /nfs/dbraw/zinc/54/15/31/971541531.db2.gz RICKBTZTLCKAMM-GJZGRUSLSA-N 2 1 279.428 1.530 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001480254595 971649825 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1 281.444 1.920 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480792423 971880218 /nfs/dbraw/zinc/88/02/18/971880218.db2.gz NDJUCJLUMSTDQN-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001325454314 953911022 /nfs/dbraw/zinc/91/10/22/953911022.db2.gz FCFJWFBBVDYXMO-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001328281415 955250855 /nfs/dbraw/zinc/25/08/55/955250855.db2.gz CPKMQWFPSPPFDF-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001493599684 972085066 /nfs/dbraw/zinc/08/50/66/972085066.db2.gz GQCTXRXDKSAJBQ-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](C)[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001491965100 955548771 /nfs/dbraw/zinc/54/87/71/955548771.db2.gz GZDFAIQSNKDLBM-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965100 955548783 /nfs/dbraw/zinc/54/87/83/955548783.db2.gz GZDFAIQSNKDLBM-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001491965100 955548793 /nfs/dbraw/zinc/54/87/93/955548793.db2.gz GZDFAIQSNKDLBM-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001492126313 955638334 /nfs/dbraw/zinc/63/83/34/955638334.db2.gz AKVTZEXWOMIDNY-GJZGRUSLSA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001492126313 955638347 /nfs/dbraw/zinc/63/83/47/955638347.db2.gz AKVTZEXWOMIDNY-GJZGRUSLSA-N 2 1 297.443 1.158 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001492316340 955797985 /nfs/dbraw/zinc/79/79/85/955797985.db2.gz NGQYKHGWDGMFPF-UHFFFAOYSA-N 2 1 286.379 1.880 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)C ZINC001493869918 972130635 /nfs/dbraw/zinc/13/06/35/972130635.db2.gz BVONDSYOTILMTL-MRXNPFEDSA-N 2 1 295.471 1.813 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001492383516 955848029 /nfs/dbraw/zinc/84/80/29/955848029.db2.gz DBZCSHKYPZYVFT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001492383516 955848038 /nfs/dbraw/zinc/84/80/38/955848038.db2.gz DBZCSHKYPZYVFT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001492383516 955848046 /nfs/dbraw/zinc/84/80/46/955848046.db2.gz DBZCSHKYPZYVFT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001492383516 955848057 /nfs/dbraw/zinc/84/80/57/955848057.db2.gz DBZCSHKYPZYVFT-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001317322765 956115388 /nfs/dbraw/zinc/11/53/88/956115388.db2.gz NGNLUCQVAVAEQH-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001569231813 1169730290 /nfs/dbraw/zinc/73/02/90/1169730290.db2.gz 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1172634549 /nfs/dbraw/zinc/63/45/49/1172634549.db2.gz WXWDNYUBZNHZQI-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001663067644 1172634552 /nfs/dbraw/zinc/63/45/52/1172634552.db2.gz WXWDNYUBZNHZQI-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000664019392 413024279 /nfs/dbraw/zinc/02/42/79/413024279.db2.gz JNNBAJCDGRFVHP-OAHLLOKOSA-N 2 1 294.443 1.372 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663461939 1172698690 /nfs/dbraw/zinc/69/86/90/1172698690.db2.gz TZMLDDOFSURCIF-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339016216 391241811 /nfs/dbraw/zinc/24/18/11/391241811.db2.gz ZKWAVNJKEFABMD-AWEZNQCLSA-N 2 1 253.390 1.580 10 30 CDEEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339016216 391241813 /nfs/dbraw/zinc/24/18/13/391241813.db2.gz ZKWAVNJKEFABMD-AWEZNQCLSA-N 2 1 253.390 1.580 10 30 CDEEMP CCC[NH+]1CCC([N@@H+](C)CCOCCC#N)CC1 ZINC000339012392 391241954 /nfs/dbraw/zinc/24/19/54/391241954.db2.gz ZBRQQJPTYWFXFG-UHFFFAOYSA-N 2 1 253.390 1.723 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104681 392012027 /nfs/dbraw/zinc/01/20/27/392012027.db2.gz LVLYZIUAVOISQD-AWEZNQCLSA-N 2 1 268.401 1.110 10 30 CDEEMP C[C@H]1CN(c2cccnc2C#N)CC[N@@H+]1C1CCN(C)CC1 ZINC000377989308 393090803 /nfs/dbraw/zinc/09/08/03/393090803.db2.gz PHFBFTNUHGKWGB-AWEZNQCLSA-N 2 1 299.422 1.558 10 30 CDEEMP C[C@H]1CN(c2cccnc2C#N)CC[N@H+]1C1CCN(C)CC1 ZINC000377989308 393090806 /nfs/dbraw/zinc/09/08/06/393090806.db2.gz PHFBFTNUHGKWGB-AWEZNQCLSA-N 2 1 299.422 1.558 10 30 CDEEMP C=CC[C@@]1(C(=O)Nc2cc[nH+]c(N(C)C)c2)CCC[NH2+]1 ZINC000662750218 413424742 /nfs/dbraw/zinc/42/47/42/413424742.db2.gz LEYGZYJSWYQHMQ-HNNXBMFYSA-N 2 1 274.368 1.784 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295144 414620508 /nfs/dbraw/zinc/62/05/08/414620508.db2.gz FNZCCYVERMHKRT-DZGCQCFKSA-N 2 1 279.428 1.389 10 30 CDEEMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2)C1 ZINC000040599841 174350308 /nfs/dbraw/zinc/35/03/08/174350308.db2.gz IZRLYTOIXXZRNN-OAHLLOKOSA-N 2 1 273.380 1.868 10 30 CDEEMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2)C1 ZINC000040599841 174350310 /nfs/dbraw/zinc/35/03/10/174350310.db2.gz IZRLYTOIXXZRNN-OAHLLOKOSA-N 2 1 273.380 1.868 10 30 CDEEMP C[N@H+]1CCCN(Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683573 175091751 /nfs/dbraw/zinc/09/17/51/175091751.db2.gz VIDLQNFORJPIHX-UHFFFAOYSA-N 2 1 263.410 1.196 10 30 CDEEMP CN1CCC[N@H+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683573 175091753 /nfs/dbraw/zinc/09/17/53/175091753.db2.gz VIDLQNFORJPIHX-UHFFFAOYSA-N 2 1 263.410 1.196 10 30 CDEEMP CN1CCC[N@@H+](Cc2ccc(C#CC[NH3+])s2)CC1 ZINC000043683573 175091754 /nfs/dbraw/zinc/09/17/54/175091754.db2.gz VIDLQNFORJPIHX-UHFFFAOYSA-N 2 1 263.410 1.196 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683832 175092472 /nfs/dbraw/zinc/09/24/72/175092472.db2.gz TZVREHYKAUWOQS-LLVKDONJSA-N 2 1 252.383 1.525 10 30 CDEEMP CCN[C@](C)(C#N)CCC[NH+]1CCC([NH+](C)C)CC1 ZINC000045311104 175356165 /nfs/dbraw/zinc/35/61/65/175356165.db2.gz QATKKOMIUXBYCX-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP C[N@H+](CCC[C@@](C)(C#N)NC1CC1)C1CC[NH+](C)CC1 ZINC000045307890 175356882 /nfs/dbraw/zinc/35/68/82/175356882.db2.gz XVDZMPYDHUGTHR-INIZCTEOSA-N 2 1 278.444 1.827 10 30 CDEEMP C[N@@H+](CCC[C@@](C)(C#N)NC1CC1)C1CC[NH+](C)CC1 ZINC000045307890 175356883 /nfs/dbraw/zinc/35/68/83/175356883.db2.gz XVDZMPYDHUGTHR-INIZCTEOSA-N 2 1 278.444 1.827 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001667751636 1173320373 /nfs/dbraw/zinc/32/03/73/1173320373.db2.gz LXCWUWRUKIGRQL-LSDHHAIUSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001669564398 1173569913 /nfs/dbraw/zinc/56/99/13/1173569913.db2.gz MSOQQHGCDMDATP-SOUVJXGZSA-N 2 1 281.444 1.777 10 30 CDEEMP C[N@H+]1CCC[C@H]2C[NH+](CCOCCC#N)CC[C@H]21 ZINC000339020154 327008094 /nfs/dbraw/zinc/00/80/94/327008094.db2.gz DEXQYVKTUBALAK-UONOGXRCSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]1CCC[C@H]2C[N@H+](CCOCCC#N)CC[C@H]21 ZINC000339020154 327008095 /nfs/dbraw/zinc/00/80/95/327008095.db2.gz DEXQYVKTUBALAK-UONOGXRCSA-N 2 1 251.374 1.333 10 30 CDEEMP C[NH+]1CCC[C@H]2C[N@@H+](CCOCCC#N)CC[C@H]21 ZINC000339020154 327008097 /nfs/dbraw/zinc/00/80/97/327008097.db2.gz DEXQYVKTUBALAK-UONOGXRCSA-N 2 1 251.374 1.333 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262474157 330015800 /nfs/dbraw/zinc/01/58/00/330015800.db2.gz BQFYQZINWIGTDY-STQMWFEESA-N 2 1 252.406 1.434 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CC[N@H+](C2CC2)C1)N[C@@H]1C[C@H]1C ZINC000262688708 330027476 /nfs/dbraw/zinc/02/74/76/330027476.db2.gz BQRWSLLJGYKALJ-MBNYWOFBSA-N 2 1 264.417 1.434 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C)CCC1 ZINC000262722083 330028735 /nfs/dbraw/zinc/02/87/35/330028735.db2.gz WHNZZVVBUULKOF-LBPRGKRZSA-N 2 1 252.406 1.565 10 30 CDEEMP C[NH+]=C(NC1CCC1)N1CC[NH+](CC(C)C)CC1 ZINC000262761835 330029843 /nfs/dbraw/zinc/02/98/43/330029843.db2.gz DPAHTXCOXFOLRO-UHFFFAOYSA-N 2 1 252.406 1.388 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000491636530 332257337 /nfs/dbraw/zinc/25/73/37/332257337.db2.gz SXFCBGOCZVGFEV-HNNXBMFYSA-N 2 1 296.459 1.217 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001698983775 1176007815 /nfs/dbraw/zinc/00/78/15/1176007815.db2.gz NTCTZGNUIUSLCU-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698983775 1176007823 /nfs/dbraw/zinc/00/78/23/1176007823.db2.gz NTCTZGNUIUSLCU-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001698983775 1176007826 /nfs/dbraw/zinc/00/78/26/1176007826.db2.gz NTCTZGNUIUSLCU-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCC[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480966405 1159470463 /nfs/dbraw/zinc/47/04/63/1159470463.db2.gz GOXKKWWZOHMZCD-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001480966405 1159470464 /nfs/dbraw/zinc/47/04/64/1159470464.db2.gz GOXKKWWZOHMZCD-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001480966405 1159470469 /nfs/dbraw/zinc/47/04/69/1159470469.db2.gz GOXKKWWZOHMZCD-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH+](CC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001480966405 1159470474 /nfs/dbraw/zinc/47/04/74/1159470474.db2.gz GOXKKWWZOHMZCD-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268069699 1159774499 /nfs/dbraw/zinc/77/44/99/1159774499.db2.gz ZQNPIMPLDBXRAD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001271711944 1160348665 /nfs/dbraw/zinc/34/86/65/1160348665.db2.gz NCJULLNSSNZCBQ-GXTWGEPZSA-N 2 1 276.384 1.062 10 30 CDEEMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000677480884 482683873 /nfs/dbraw/zinc/68/38/73/482683873.db2.gz WRTXBWDPFZLINP-LSDHHAIUSA-N 2 1 252.402 1.731 10 30 CDEEMP C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000677480884 482683876 /nfs/dbraw/zinc/68/38/76/482683876.db2.gz WRTXBWDPFZLINP-LSDHHAIUSA-N 2 1 252.402 1.731 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001483016376 1160665888 /nfs/dbraw/zinc/66/58/88/1160665888.db2.gz COOXAOKSHLWNRV-OGZRUICASA-N 2 1 289.423 1.289 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001713278135 1178464097 /nfs/dbraw/zinc/46/40/97/1178464097.db2.gz REWWEEUSDYRXQD-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001713635948 1178690813 /nfs/dbraw/zinc/69/08/13/1178690813.db2.gz SCGUDZRDINMOTI-OAHLLOKOSA-N 2 1 285.407 1.433 10 30 CDEEMP CCC[N@H+](Cc1ccnc(C#N)c1)C1CC[NH2+]CC1 ZINC000068757550 521690897 /nfs/dbraw/zinc/69/08/97/521690897.db2.gz WUDDRDAUFDHJGT-UHFFFAOYSA-N 2 1 258.369 1.917 10 30 CDEEMP CCC[N@@H+](Cc1ccnc(C#N)c1)C1CC[NH2+]CC1 ZINC000068757550 521690898 /nfs/dbraw/zinc/69/08/98/521690898.db2.gz WUDDRDAUFDHJGT-UHFFFAOYSA-N 2 1 258.369 1.917 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001717738597 1180819022 /nfs/dbraw/zinc/81/90/22/1180819022.db2.gz PWWURHNXKXNVFH-ILXRZTDVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)CCC[NH+](C)C ZINC001733934466 1183573198 /nfs/dbraw/zinc/57/31/98/1183573198.db2.gz YNGJPEVLRPIAPV-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP CC[C@H]1C[N@H+](Cc2ccccc2C#CC[NH3+])CCO1 ZINC000049609178 523292204 /nfs/dbraw/zinc/29/22/04/523292204.db2.gz UVAQRJRNVZADQH-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@H]1C[N@@H+](Cc2ccccc2C#CC[NH3+])CCO1 ZINC000049609178 523292216 /nfs/dbraw/zinc/29/22/16/523292216.db2.gz UVAQRJRNVZADQH-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1CN1CCC[N@@H+](C)CC1 ZINC000049608758 523513571 /nfs/dbraw/zinc/51/35/71/523513571.db2.gz UWYLRMCNULRVRI-UHFFFAOYSA-N 2 1 287.407 1.143 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894631655 618998175 /nfs/dbraw/zinc/99/81/75/618998175.db2.gz NFKJYXFOQYBIBP-KGLIPLIRSA-N 2 1 284.375 1.165 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894631655 618998177 /nfs/dbraw/zinc/99/81/77/618998177.db2.gz NFKJYXFOQYBIBP-KGLIPLIRSA-N 2 1 284.375 1.165 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000901104592 623887483 /nfs/dbraw/zinc/88/74/83/623887483.db2.gz NCLBMEFKAWIARU-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903934051 626153431 /nfs/dbraw/zinc/15/34/31/626153431.db2.gz ZMTXWNFEMMEYKY-HUUCEWRRSA-N 2 1 289.427 1.991 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+](CC)CCC ZINC000908302073 628132491 /nfs/dbraw/zinc/13/24/91/628132491.db2.gz JJSSXOHXKZJWNA-CQSZACIVSA-N 2 1 269.433 1.731 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@]1(C)CCCO1 ZINC000154523583 632281907 /nfs/dbraw/zinc/28/19/07/632281907.db2.gz PCJZFSVRBPRJQJ-ZFWWWQNUSA-N 2 1 282.432 1.205 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001691180453 1158947595 /nfs/dbraw/zinc/94/75/95/1158947595.db2.gz CONPBCINYCRWSC-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001496487027 1159925896 /nfs/dbraw/zinc/92/58/96/1159925896.db2.gz KHNHCMZHVPKJEH-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001272085186 1160596124 /nfs/dbraw/zinc/59/61/24/1160596124.db2.gz IXJLJRSVCBVSNE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC001645360510 1167396305 /nfs/dbraw/zinc/39/63/05/1167396305.db2.gz YBHAZNYJFWIFLI-UONOGXRCSA-N 2 1 265.401 1.189 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001566909904 1168462456 /nfs/dbraw/zinc/46/24/56/1168462456.db2.gz HWTRLTJPYRNRKV-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001567192510 1168614488 /nfs/dbraw/zinc/61/44/88/1168614488.db2.gz BGHPVCGJVKDQDK-OAHLLOKOSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001567744234 1168944760 /nfs/dbraw/zinc/94/47/60/1168944760.db2.gz FMNBMPKNMFWRSY-OAHLLOKOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001568907088 1169544548 /nfs/dbraw/zinc/54/45/48/1169544548.db2.gz CKDYDOFNLJQCOA-WSNITJDQSA-N 2 1 288.395 1.202 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC=C)C1 ZINC001570564059 1170190458 /nfs/dbraw/zinc/19/04/58/1170190458.db2.gz LILXMSKFNKYNNK-GPANFISMSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC=C)C1 ZINC001570564059 1170190465 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CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001714050941 1178947320 /nfs/dbraw/zinc/94/73/20/1178947320.db2.gz XFHAZMYPWCQRMQ-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155944 1178993956 /nfs/dbraw/zinc/99/39/56/1178993956.db2.gz LLVKPSCCZIRDNM-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC[C@H]([C@@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001714155944 1178993950 /nfs/dbraw/zinc/99/39/50/1178993950.db2.gz LLVKPSCCZIRDNM-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+](C)CCC)C1 ZINC001714155944 1178993954 /nfs/dbraw/zinc/99/39/54/1178993954.db2.gz LLVKPSCCZIRDNM-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001714817407 1179410026 /nfs/dbraw/zinc/41/00/26/1179410026.db2.gz VJWOBUDYCGUZBK-GOEBONIOSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001715386134 1179652778 /nfs/dbraw/zinc/65/27/78/1179652778.db2.gz MEDKJEZYOVRJPC-ZBFHGGJFSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001715729142 1179782591 /nfs/dbraw/zinc/78/25/91/1179782591.db2.gz MTLSBZZPYJWNOQ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001716632001 1180315991 /nfs/dbraw/zinc/31/59/91/1180315991.db2.gz SIYRBTSGSGYMOE-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001716796866 1180418212 /nfs/dbraw/zinc/41/82/12/1180418212.db2.gz KEUVKODAEHOJFW-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001717732719 1180816103 /nfs/dbraw/zinc/81/61/03/1180816103.db2.gz RMYXHTVDQDQOMA-INIZCTEOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001718033209 1180976382 /nfs/dbraw/zinc/97/63/82/1180976382.db2.gz BZMVTZLMKBVNLD-GJZGRUSLSA-N 2 1 289.423 1.241 10 30 CDEEMP C=CCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001723482483 1181574179 /nfs/dbraw/zinc/57/41/79/1181574179.db2.gz CAEQBOZYQIUFCL-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001723722364 1181596291 /nfs/dbraw/zinc/59/62/91/1181596291.db2.gz VFSZDUBEXMTQRI-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001723722364 1181596294 /nfs/dbraw/zinc/59/62/94/1181596294.db2.gz VFSZDUBEXMTQRI-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001723722364 1181596299 /nfs/dbraw/zinc/59/62/99/1181596299.db2.gz VFSZDUBEXMTQRI-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC)CC1 ZINC001724064751 1181632492 /nfs/dbraw/zinc/63/24/92/1181632492.db2.gz IPJVEYWSBITAHG-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001724855828 1181779326 /nfs/dbraw/zinc/77/93/26/1181779326.db2.gz NXYDUDOTPRUPQS-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001725039578 1181831233 /nfs/dbraw/zinc/83/12/33/1181831233.db2.gz DFTBXTWEEVTCJP-HRCADAONSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001725039578 1181831240 /nfs/dbraw/zinc/83/12/40/1181831240.db2.gz DFTBXTWEEVTCJP-HRCADAONSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001725039578 1181831247 /nfs/dbraw/zinc/83/12/47/1181831247.db2.gz DFTBXTWEEVTCJP-HRCADAONSA-N 2 1 293.455 1.826 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001725115195 1181869871 /nfs/dbraw/zinc/86/98/71/1181869871.db2.gz RPJLALYWKFTXHD-KBPBESRZSA-N 2 1 290.411 1.478 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1c[nH+]cc1C ZINC001725461863 1182009219 /nfs/dbraw/zinc/00/92/19/1182009219.db2.gz NBWAVDXQZXYSNU-OAHLLOKOSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001725764160 1182124551 /nfs/dbraw/zinc/12/45/51/1182124551.db2.gz QIAMOFOFGMOQBM-CYBMUJFWSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731321465 1182317565 /nfs/dbraw/zinc/31/75/65/1182317565.db2.gz FQYBBYSCMFJFQS-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731321465 1182317567 /nfs/dbraw/zinc/31/75/67/1182317567.db2.gz FQYBBYSCMFJFQS-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001731321465 1182317570 /nfs/dbraw/zinc/31/75/70/1182317570.db2.gz FQYBBYSCMFJFQS-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561094 1182448029 /nfs/dbraw/zinc/44/80/29/1182448029.db2.gz YRXWGYLYKBKHHU-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001732134588 1182793993 /nfs/dbraw/zinc/79/39/93/1182793993.db2.gz PCQYWACDFHQTOV-CQSZACIVSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001732169680 1182829367 /nfs/dbraw/zinc/82/93/67/1182829367.db2.gz IDQHHNVSIGNITL-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001732169680 1182829373 /nfs/dbraw/zinc/82/93/73/1182829373.db2.gz IDQHHNVSIGNITL-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001732169680 1182829377 /nfs/dbraw/zinc/82/93/77/1182829377.db2.gz IDQHHNVSIGNITL-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C(C)C ZINC001732558124 1183008405 /nfs/dbraw/zinc/00/84/05/1183008405.db2.gz OFDYRIMMBUQJAB-CABCVRRESA-N 2 1 297.418 1.174 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCF)C(C)C ZINC001732558124 1183008412 /nfs/dbraw/zinc/00/84/12/1183008412.db2.gz OFDYRIMMBUQJAB-CABCVRRESA-N 2 1 297.418 1.174 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001733130501 1183301854 /nfs/dbraw/zinc/30/18/54/1183301854.db2.gz FEKYNDSOEDPYRC-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001733244935 1183367490 /nfs/dbraw/zinc/36/74/90/1183367490.db2.gz CXUSEOIIZGJNEF-RBSFLKMASA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001733549377 1183463446 /nfs/dbraw/zinc/46/34/46/1183463446.db2.gz JNROYHCARHEORX-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001734462827 1183787548 /nfs/dbraw/zinc/78/75/48/1183787548.db2.gz UYEUEJPTWSOXGO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001734462827 1183787549 /nfs/dbraw/zinc/78/75/49/1183787549.db2.gz UYEUEJPTWSOXGO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001734462827 1183787551 /nfs/dbraw/zinc/78/75/51/1183787551.db2.gz UYEUEJPTWSOXGO-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734597497 1183840041 /nfs/dbraw/zinc/84/00/41/1183840041.db2.gz RBPVUWNBPXLLLD-UHFFFAOYSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000876763458 829061874 /nfs/dbraw/zinc/06/18/74/829061874.db2.gz OGRWMEQTYRUNHA-QWHCGFSZSA-N 2 1 287.835 1.550 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569693 833083568 /nfs/dbraw/zinc/08/35/68/833083568.db2.gz YCGVBGZGBWYFLL-LBPRGKRZSA-N 2 1 298.431 1.107 10 30 CDEEMP C=CCn1cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925707317 833147188 /nfs/dbraw/zinc/14/71/88/833147188.db2.gz PBZKISOFSAEYGW-RYUDHWBXSA-N 2 1 263.389 1.460 10 30 CDEEMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC2(C#N)CCC2)C1 ZINC000842038050 833402692 /nfs/dbraw/zinc/40/26/92/833402692.db2.gz CZIXCBGTJCBHSY-GFCCVEGCSA-N 2 1 280.372 1.288 10 30 CDEEMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC2(C#N)CCC2)C1 ZINC000842038050 833402696 /nfs/dbraw/zinc/40/26/96/833402696.db2.gz CZIXCBGTJCBHSY-GFCCVEGCSA-N 2 1 280.372 1.288 10 30 CDEEMP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819304063 832491436 /nfs/dbraw/zinc/49/14/36/832491436.db2.gz BUJSVDMLRAIKPT-AEFFLSMTSA-N 2 1 286.419 1.666 10 30 CDEEMP C#CC[C@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819304063 832491440 /nfs/dbraw/zinc/49/14/40/832491440.db2.gz BUJSVDMLRAIKPT-AEFFLSMTSA-N 2 1 286.419 1.666 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCOC23CCOCC3)CC1 ZINC000924989990 833874540 /nfs/dbraw/zinc/87/45/40/833874540.db2.gz WRDJCGAWFHOPTB-MRXNPFEDSA-N 2 1 294.439 1.955 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000876781062 833883332 /nfs/dbraw/zinc/88/33/32/833883332.db2.gz ITDUYFBMHPEBOP-SCVCMEIPSA-N 2 1 271.792 1.198 10 30 CDEEMP C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000829773297 834344361 /nfs/dbraw/zinc/34/43/61/834344361.db2.gz CIZHXEKRMXBOSZ-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CC[NH+](CC)CC2)C1 ZINC000829773297 834344377 /nfs/dbraw/zinc/34/43/77/834344377.db2.gz CIZHXEKRMXBOSZ-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+](C)CCCNc1cc(CC(=O)OC)ccn1 ZINC000853647307 834630162 /nfs/dbraw/zinc/63/01/62/834630162.db2.gz XHQLMHDRGKZSHX-UHFFFAOYSA-N 2 1 275.352 1.164 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001565831959 1168177773 /nfs/dbraw/zinc/17/77/73/1168177773.db2.gz RCRUEHSINPWUTF-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001565831959 1168177778 /nfs/dbraw/zinc/17/77/78/1168177778.db2.gz RCRUEHSINPWUTF-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001567433144 1168758087 /nfs/dbraw/zinc/75/80/87/1168758087.db2.gz UKHSQLFNCKQKFY-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266324933 894390118 /nfs/dbraw/zinc/39/01/18/894390118.db2.gz GNDCNRMONIPONH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266324933 894390129 /nfs/dbraw/zinc/39/01/29/894390129.db2.gz GNDCNRMONIPONH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266324933 894390138 /nfs/dbraw/zinc/39/01/38/894390138.db2.gz GNDCNRMONIPONH-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001266399121 894699692 /nfs/dbraw/zinc/69/96/92/894699692.db2.gz LMMVUCYBCSVEFY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001266399121 894699695 /nfs/dbraw/zinc/69/96/95/894699695.db2.gz LMMVUCYBCSVEFY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266399121 894699699 /nfs/dbraw/zinc/69/96/99/894699699.db2.gz LMMVUCYBCSVEFY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC001266399254 894701802 /nfs/dbraw/zinc/70/18/02/894701802.db2.gz PSHKRKCSOYWPFH-CQSZACIVSA-N 2 1 290.411 1.460 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266473215 895015142 /nfs/dbraw/zinc/01/51/42/895015142.db2.gz XMPWTJYBRDAPHZ-INIZCTEOSA-N 2 1 293.455 1.829 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001267058387 896652639 /nfs/dbraw/zinc/65/26/39/896652639.db2.gz KSCNVXCOFPKYKK-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP CC#CCN(C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267204555 897142695 /nfs/dbraw/zinc/14/26/95/897142695.db2.gz FMFLZFBGUBCALU-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001267204555 897142705 /nfs/dbraw/zinc/14/27/05/897142705.db2.gz FMFLZFBGUBCALU-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001267204555 897142714 /nfs/dbraw/zinc/14/27/14/897142714.db2.gz FMFLZFBGUBCALU-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267204555 897142719 /nfs/dbraw/zinc/14/27/19/897142719.db2.gz FMFLZFBGUBCALU-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267204555 897142725 /nfs/dbraw/zinc/14/27/25/897142725.db2.gz FMFLZFBGUBCALU-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001267268957 897419307 /nfs/dbraw/zinc/41/93/07/897419307.db2.gz IUFURPQFPMODEP-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267568297 898392190 /nfs/dbraw/zinc/39/21/90/898392190.db2.gz IJCOOBCAOILQRI-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001267714132 899352824 /nfs/dbraw/zinc/35/28/24/899352824.db2.gz XESJFKCGIUWTBW-PMPSAXMXSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001267714132 899352833 /nfs/dbraw/zinc/35/28/33/899352833.db2.gz XESJFKCGIUWTBW-PMPSAXMXSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001267714132 899352844 /nfs/dbraw/zinc/35/28/44/899352844.db2.gz XESJFKCGIUWTBW-PMPSAXMXSA-N 2 1 293.455 1.968 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001267968737 900114956 /nfs/dbraw/zinc/11/49/56/900114956.db2.gz BXAGTIGMQBENEC-SJORKVTESA-N 2 1 299.418 1.503 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267989055 900204827 /nfs/dbraw/zinc/20/48/27/900204827.db2.gz FAZVQUUSPPSUSV-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001284034849 900481265 /nfs/dbraw/zinc/48/12/65/900481265.db2.gz WRVCNPNLOMQZNK-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268109610 901310619 /nfs/dbraw/zinc/31/06/19/901310619.db2.gz LJMMAGZSSXYKHP-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001268226542 901602103 /nfs/dbraw/zinc/60/21/03/901602103.db2.gz BGHCGNMEVXIPOJ-CQSZACIVSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CC[NH+]1CC(CNC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481644209 901604105 /nfs/dbraw/zinc/60/41/05/901604105.db2.gz BNGGWBDVVLTOEI-MRXNPFEDSA-N 2 1 297.418 1.433 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001268248019 901664215 /nfs/dbraw/zinc/66/42/15/901664215.db2.gz ZMCRRHCCBZYJNB-UHFFFAOYSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268254894 901679571 /nfs/dbraw/zinc/67/95/71/901679571.db2.gz GMEHUDHSRUGGGD-LSDHHAIUSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001481738882 901983665 /nfs/dbraw/zinc/98/36/65/901983665.db2.gz QMLAXELIEXTXHP-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001482108787 902655000 /nfs/dbraw/zinc/65/50/00/902655000.db2.gz WXQCOFVMUFGSCB-GOEBONIOSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001482123928 902666724 /nfs/dbraw/zinc/66/67/24/902666724.db2.gz VMDNBTDEUSQWKG-CYBMUJFWSA-N 2 1 278.400 1.500 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001567810180 1168988365 /nfs/dbraw/zinc/98/83/65/1168988365.db2.gz MPOUQJCEWUAKJY-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001567810180 1168988379 /nfs/dbraw/zinc/98/83/79/1168988379.db2.gz MPOUQJCEWUAKJY-HZPDHXFCSA-N 2 1 291.439 1.770 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001273566536 921133563 /nfs/dbraw/zinc/13/35/63/921133563.db2.gz VZSSWGLKISHIRH-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001271600930 906537428 /nfs/dbraw/zinc/53/74/28/906537428.db2.gz VHZSURILQIILIZ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001271846422 906890902 /nfs/dbraw/zinc/89/09/02/906890902.db2.gz PXTCJRVFJDKAHJ-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001272048777 907724086 /nfs/dbraw/zinc/72/40/86/907724086.db2.gz KPINQTFYWXZVOH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001272048777 907724091 /nfs/dbraw/zinc/72/40/91/907724091.db2.gz KPINQTFYWXZVOH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001272048777 907724095 /nfs/dbraw/zinc/72/40/95/907724095.db2.gz KPINQTFYWXZVOH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001482602848 907855491 /nfs/dbraw/zinc/85/54/91/907855491.db2.gz JAPCRSNCRZNHIS-UHFFFAOYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001484978231 916357487 /nfs/dbraw/zinc/35/74/87/916357487.db2.gz AJBICSDPGACISM-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001485075200 916470775 /nfs/dbraw/zinc/47/07/75/916470775.db2.gz BEGMZXQQIPMKBT-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485075200 916470779 /nfs/dbraw/zinc/47/07/79/916470779.db2.gz BEGMZXQQIPMKBT-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485075200 916470791 /nfs/dbraw/zinc/47/07/91/916470791.db2.gz BEGMZXQQIPMKBT-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(C)C ZINC001485314040 916793479 /nfs/dbraw/zinc/79/34/79/916793479.db2.gz QRMPQOLLXCJKPA-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(C)C ZINC001485314040 916793495 /nfs/dbraw/zinc/79/34/95/916793495.db2.gz QRMPQOLLXCJKPA-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(C)C ZINC001485314040 916793466 /nfs/dbraw/zinc/79/34/66/916793466.db2.gz QRMPQOLLXCJKPA-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(C)C ZINC001485314040 916793510 /nfs/dbraw/zinc/79/35/10/916793510.db2.gz QRMPQOLLXCJKPA-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001485322140 916841983 /nfs/dbraw/zinc/84/19/83/916841983.db2.gz HIVRZQYHRZMLFW-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001485322140 916841990 /nfs/dbraw/zinc/84/19/90/916841990.db2.gz HIVRZQYHRZMLFW-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001486234454 920851822 /nfs/dbraw/zinc/85/18/22/920851822.db2.gz VCKKHZKEYNJZJC-KFWWJZLASA-N 2 1 291.439 1.177 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001495669545 936919249 /nfs/dbraw/zinc/91/92/49/936919249.db2.gz RRTXXSZTHXGGOA-RBSFLKMASA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCc2nccn2C)[C@H]1CC ZINC001489126391 926801400 /nfs/dbraw/zinc/80/14/00/926801400.db2.gz GWAGNWRWBPUKDQ-UONOGXRCSA-N 2 1 290.411 1.508 10 30 CDEEMP C#CCC[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001274104253 931171269 /nfs/dbraw/zinc/17/12/69/931171269.db2.gz AVZXKTJKSGEOCM-NFAHFFEMSA-N 2 1 277.412 1.146 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC/C=C\CC ZINC001274791754 931576773 /nfs/dbraw/zinc/57/67/73/931576773.db2.gz OPEBDLBQRQEFEQ-UWUBPMADSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC/C=C\CC ZINC001274791754 931576776 /nfs/dbraw/zinc/57/67/76/931576776.db2.gz OPEBDLBQRQEFEQ-UWUBPMADSA-N 2 1 291.439 1.535 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001275571933 931888119 /nfs/dbraw/zinc/88/81/19/931888119.db2.gz SHNJRHNGKZYSJE-OLZOCXBDSA-N 2 1 278.400 1.641 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001494856231 932140748 /nfs/dbraw/zinc/14/07/48/932140748.db2.gz RTCASAOPSRDABI-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494856231 932140751 /nfs/dbraw/zinc/14/07/51/932140751.db2.gz RTCASAOPSRDABI-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001494856231 932140754 /nfs/dbraw/zinc/14/07/54/932140754.db2.gz RTCASAOPSRDABI-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001276625386 940451734 /nfs/dbraw/zinc/45/17/34/940451734.db2.gz WXDJEMIORWYWAU-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001329622710 940701768 /nfs/dbraw/zinc/70/17/68/940701768.db2.gz FJTAGYGTAXOIPZ-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001329622710 940701770 /nfs/dbraw/zinc/70/17/70/940701770.db2.gz FJTAGYGTAXOIPZ-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001329622710 940701772 /nfs/dbraw/zinc/70/17/72/940701772.db2.gz FJTAGYGTAXOIPZ-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001277058921 941888616 /nfs/dbraw/zinc/88/86/16/941888616.db2.gz QHYBEIBBLNMGQQ-KLHDSHLOSA-N 2 1 291.439 1.674 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001280094108 942416871 /nfs/dbraw/zinc/41/68/71/942416871.db2.gz HQSZXAUFMMETER-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001282648430 942735727 /nfs/dbraw/zinc/73/57/27/942735727.db2.gz WCDWXFNOULDHNX-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001277474766 942744092 /nfs/dbraw/zinc/74/40/92/942744092.db2.gz TYQADTLNVMMNMU-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001284097431 943077268 /nfs/dbraw/zinc/07/72/68/943077268.db2.gz RBPWSOGENXBZLE-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001277865090 943892241 /nfs/dbraw/zinc/89/22/41/943892241.db2.gz CWCNAYPFYQNSLS-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001264186370 944095233 /nfs/dbraw/zinc/09/52/33/944095233.db2.gz ZHVVWJMPDOWPGX-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001265092795 944227622 /nfs/dbraw/zinc/22/76/22/944227622.db2.gz VCLIPHZPTAHJHO-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001265155979 944253310 /nfs/dbraw/zinc/25/33/10/944253310.db2.gz JRCRYMMURBYEFM-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001265359168 944358808 /nfs/dbraw/zinc/35/88/08/944358808.db2.gz YSFBZQDVFFYVCH-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265442968 944389530 /nfs/dbraw/zinc/38/95/30/944389530.db2.gz LHOMLRDEEMGAIV-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266011437 944628002 /nfs/dbraw/zinc/62/80/02/944628002.db2.gz WDVBHJLUHIURJL-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001266051205 944655181 /nfs/dbraw/zinc/65/51/81/944655181.db2.gz NFBTYXCVHJKHHT-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001266051205 944655184 /nfs/dbraw/zinc/65/51/84/944655184.db2.gz NFBTYXCVHJKHHT-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001266051205 944655191 /nfs/dbraw/zinc/65/51/91/944655191.db2.gz NFBTYXCVHJKHHT-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)[C@H]1C ZINC001479707975 971378250 /nfs/dbraw/zinc/37/82/50/971378250.db2.gz SDWYBBCFKRXUSQ-MCIONIFRSA-N 2 1 285.407 1.431 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479803995 971429546 /nfs/dbraw/zinc/42/95/46/971429546.db2.gz MWAVBDKGRGMAAJ-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001569024887 1169601033 /nfs/dbraw/zinc/60/10/33/1169601033.db2.gz AIIIIDYAKGARSC-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001480088484 971568827 /nfs/dbraw/zinc/56/88/27/971568827.db2.gz IXDQZGHWUFMQDZ-LSDHHAIUSA-N 2 1 281.444 1.683 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001480085342 971570339 /nfs/dbraw/zinc/57/03/39/971570339.db2.gz NUTKNFIJNBBOEN-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480085342 971570349 /nfs/dbraw/zinc/57/03/49/971570349.db2.gz NUTKNFIJNBBOEN-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001480085342 971570351 /nfs/dbraw/zinc/57/03/51/971570351.db2.gz NUTKNFIJNBBOEN-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001480227135 971637862 /nfs/dbraw/zinc/63/78/62/971637862.db2.gz ACRYELJGPKIXGM-UPJWGTAASA-N 2 1 276.384 1.401 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001480386666 971696682 /nfs/dbraw/zinc/69/66/82/971696682.db2.gz LEFMRIGUWDWRGP-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+](C)C)C1 ZINC001278671975 951452964 /nfs/dbraw/zinc/45/29/64/951452964.db2.gz DYTIKXTYDRXFNK-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001480564618 971787082 /nfs/dbraw/zinc/78/70/82/971787082.db2.gz ZUOWIHWGMSVVJL-GFCCVEGCSA-N 2 1 285.351 1.161 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001480817134 971891850 /nfs/dbraw/zinc/89/18/50/971891850.db2.gz AWPASOJWIANODR-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001480817134 971891858 /nfs/dbraw/zinc/89/18/58/971891858.db2.gz AWPASOJWIANODR-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001480817134 971891864 /nfs/dbraw/zinc/89/18/64/971891864.db2.gz AWPASOJWIANODR-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001324832853 953598575 /nfs/dbraw/zinc/59/85/75/953598575.db2.gz JZGQGHVSKFFENN-INIZCTEOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001327494073 954904461 /nfs/dbraw/zinc/90/44/61/954904461.db2.gz WHHBLMIWFHUJIR-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001328101847 955191311 /nfs/dbraw/zinc/19/13/11/955191311.db2.gz IETXIMSAVPMVQQ-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001491685037 955356620 /nfs/dbraw/zinc/35/66/20/955356620.db2.gz XAZHFYBBPRPWCJ-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491814308 955480281 /nfs/dbraw/zinc/48/02/81/955480281.db2.gz KHFSDIBBDMISBJ-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)C(C)C ZINC001493860942 972128994 /nfs/dbraw/zinc/12/89/94/972128994.db2.gz XSJVHIVHIFGBOB-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001493860942 972128999 /nfs/dbraw/zinc/12/89/99/972128999.db2.gz XSJVHIVHIFGBOB-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CCCNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001493860942 972129000 /nfs/dbraw/zinc/12/90/00/972129000.db2.gz XSJVHIVHIFGBOB-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001330643580 956537924 /nfs/dbraw/zinc/53/79/24/956537924.db2.gz ILAHMOLJCZAYTG-AJNGGQMLSA-N 2 1 279.428 1.387 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001423052955 956546202 /nfs/dbraw/zinc/54/62/02/956546202.db2.gz DIOKTHZDJLENMJ-CYBMUJFWSA-N 2 1 287.835 1.564 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001316851541 957071326 /nfs/dbraw/zinc/07/13/26/957071326.db2.gz YZTHOAKIDPSCKS-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001316851541 957071340 /nfs/dbraw/zinc/07/13/40/957071340.db2.gz YZTHOAKIDPSCKS-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001316851541 957071353 /nfs/dbraw/zinc/07/13/53/957071353.db2.gz YZTHOAKIDPSCKS-UHFFFAOYSA-N 2 1 281.444 1.426 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001317014155 957202959 /nfs/dbraw/zinc/20/29/59/957202959.db2.gz BPBSPPPSQDYJLN-CABCVRRESA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317142783 957302607 /nfs/dbraw/zinc/30/26/07/957302607.db2.gz GRFTYMMYDTXVIW-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317142783 957302618 /nfs/dbraw/zinc/30/26/18/957302618.db2.gz GRFTYMMYDTXVIW-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317142783 957302626 /nfs/dbraw/zinc/30/26/26/957302626.db2.gz GRFTYMMYDTXVIW-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317256105 957383131 /nfs/dbraw/zinc/38/31/31/957383131.db2.gz RIOQFMYFOFXRRE-CYBMUJFWSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001332064729 957420598 /nfs/dbraw/zinc/42/05/98/957420598.db2.gz OUARPGXQRLKTTM-ZIAGYGMSSA-N 2 1 267.417 1.482 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)C[C@H](C)CC ZINC001317450597 957484656 /nfs/dbraw/zinc/48/46/56/957484656.db2.gz WBKCKAIUYXUMGV-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)C[C@H](C)CC ZINC001317450597 957484658 /nfs/dbraw/zinc/48/46/58/957484658.db2.gz WBKCKAIUYXUMGV-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](C)CC ZINC001317450597 957484660 /nfs/dbraw/zinc/48/46/60/957484660.db2.gz WBKCKAIUYXUMGV-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)C[C@H](C)CC ZINC001317450597 957484663 /nfs/dbraw/zinc/48/46/63/957484663.db2.gz WBKCKAIUYXUMGV-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536518 957534500 /nfs/dbraw/zinc/53/45/00/957534500.db2.gz KPMZSYFCSADEPP-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482647 958125555 /nfs/dbraw/zinc/12/55/55/958125555.db2.gz LADDPZAFGSGICF-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318482647 958125563 /nfs/dbraw/zinc/12/55/63/958125563.db2.gz LADDPZAFGSGICF-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482647 958125578 /nfs/dbraw/zinc/12/55/78/958125578.db2.gz LADDPZAFGSGICF-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001318525144 958154890 /nfs/dbraw/zinc/15/48/90/958154890.db2.gz URCAOLCUMRNDCC-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001494924531 972337741 /nfs/dbraw/zinc/33/77/41/972337741.db2.gz LXGQUOVRFUSIBO-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001494924531 972337744 /nfs/dbraw/zinc/33/77/44/972337744.db2.gz LXGQUOVRFUSIBO-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001494924531 972337749 /nfs/dbraw/zinc/33/77/49/972337749.db2.gz LXGQUOVRFUSIBO-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)C12CCC[NH+]1CCC2 ZINC001320016699 958869085 /nfs/dbraw/zinc/86/90/85/958869085.db2.gz UWWHBCXGSVXJEI-UHFFFAOYSA-N 2 1 265.401 1.191 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001368670456 959028588 /nfs/dbraw/zinc/02/85/88/959028588.db2.gz SXCHOOWWCPFTKL-YPMHNXCESA-N 2 1 287.835 1.516 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001320930179 959464016 /nfs/dbraw/zinc/46/40/16/959464016.db2.gz VRSYSMOAPFSZMO-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001321532440 959838229 /nfs/dbraw/zinc/83/82/29/959838229.db2.gz GXIPHHKIPIDNPV-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001322041474 960063213 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CC#CC[N@H+]1CC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001569479333 1169891311 /nfs/dbraw/zinc/89/13/11/1169891311.db2.gz UNHYJCXFEOVJFE-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001448611214 967171859 /nfs/dbraw/zinc/17/18/59/967171859.db2.gz BVUSNNZHPMXPEL-KBPBESRZSA-N 2 1 299.846 1.517 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC001357993666 969676986 /nfs/dbraw/zinc/67/69/86/969676986.db2.gz PZTFHAAVOHFKFP-HZSPNIEDSA-N 2 1 265.401 1.223 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001371796505 972640669 /nfs/dbraw/zinc/64/06/69/972640669.db2.gz ARMLQJFVCRUJGJ-LLVKDONJSA-N 2 1 284.791 1.428 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001496097969 972794238 /nfs/dbraw/zinc/79/42/38/972794238.db2.gz JSSRKLNKNDZXRJ-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001496277798 972871246 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BQWZVDNLDRKBHU-MGPQQGTHSA-N 2 1 250.386 1.345 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001481059938 1159507501 /nfs/dbraw/zinc/50/75/01/1159507501.db2.gz WLPPZRUJDKJYTA-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001481059938 1159507506 /nfs/dbraw/zinc/50/75/06/1159507506.db2.gz WLPPZRUJDKJYTA-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001481059938 1159507509 /nfs/dbraw/zinc/50/75/09/1159507509.db2.gz WLPPZRUJDKJYTA-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001482664183 1160585733 /nfs/dbraw/zinc/58/57/33/1160585733.db2.gz SRKBTJJFLGRCDL-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP CCCN[C@](C)(C#N)C[C@@H](C)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616296 520102208 /nfs/dbraw/zinc/10/22/08/520102208.db2.gz KFGUGXPJNZHZEZ-OAGGEKHMSA-N 2 1 280.460 1.930 10 30 CDEEMP 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ZINC001691866647 1175640002 /nfs/dbraw/zinc/64/00/02/1175640002.db2.gz CMNOKXIHCULUGD-MRXNPFEDSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001698831835 1175954381 /nfs/dbraw/zinc/95/43/81/1175954381.db2.gz IKLAXPAXUYTPDK-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001698878603 1175976210 /nfs/dbraw/zinc/97/62/10/1175976210.db2.gz LIIYTAQOZLCDRJ-HOTGVXAUSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001698991726 1176022708 /nfs/dbraw/zinc/02/27/08/1176022708.db2.gz UANYCXUNXJHMCO-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001698991726 1176022718 /nfs/dbraw/zinc/02/27/18/1176022718.db2.gz UANYCXUNXJHMCO-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001698991726 1176022728 /nfs/dbraw/zinc/02/27/28/1176022728.db2.gz UANYCXUNXJHMCO-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001699287101 1176197658 /nfs/dbraw/zinc/19/76/58/1176197658.db2.gz YWVINBGXZBGTGQ-PLNGDYQASA-N 2 1 276.384 1.420 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001699738358 1176596528 /nfs/dbraw/zinc/59/65/28/1176596528.db2.gz KYSAMSFVNGONTP-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001700618360 1177038130 /nfs/dbraw/zinc/03/81/30/1177038130.db2.gz YEMQPSVWLVHWRR-ARFHVFGLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001700618360 1177038139 /nfs/dbraw/zinc/03/81/39/1177038139.db2.gz YEMQPSVWLVHWRR-ARFHVFGLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001700618360 1177038148 /nfs/dbraw/zinc/03/81/48/1177038148.db2.gz YEMQPSVWLVHWRR-ARFHVFGLSA-N 2 1 291.439 1.178 10 30 CDEEMP 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C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001712977213 1178281589 /nfs/dbraw/zinc/28/15/89/1178281589.db2.gz QMXAXZOXOCXUNR-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001712977213 1178281595 /nfs/dbraw/zinc/28/15/95/1178281595.db2.gz QMXAXZOXOCXUNR-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001712977213 1178281601 /nfs/dbraw/zinc/28/16/01/1178281601.db2.gz QMXAXZOXOCXUNR-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CC1 ZINC001713039373 1178325051 /nfs/dbraw/zinc/32/50/51/1178325051.db2.gz SUZAJCYBYKXFTH-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001713039373 1178325060 /nfs/dbraw/zinc/32/50/60/1178325060.db2.gz SUZAJCYBYKXFTH-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)C1CC1 ZINC001713039373 1178325067 /nfs/dbraw/zinc/32/50/67/1178325067.db2.gz 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279.428 1.437 10 30 CDEEMP C#CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001267973885 900148279 /nfs/dbraw/zinc/14/82/79/900148279.db2.gz DLAIWFJFJOEQNB-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267989561 900208698 /nfs/dbraw/zinc/20/86/98/900208698.db2.gz MOPWKSIHORQJIL-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)CC[N@H+](C)CC)C1 ZINC001282067068 901381328 /nfs/dbraw/zinc/38/13/28/901381328.db2.gz SYQAOORLGUHAGH-UHFFFAOYSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268192890 901547255 /nfs/dbraw/zinc/54/72/55/901547255.db2.gz HAYBIKDFBOVCMW-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001268192890 901547262 /nfs/dbraw/zinc/54/72/62/901547262.db2.gz HAYBIKDFBOVCMW-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCC[NH+]1CC(CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001481651162 901708727 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CDEEMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001270600376 904776526 /nfs/dbraw/zinc/77/65/26/904776526.db2.gz ZDQSYFKUQPJFSG-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001270600376 904776531 /nfs/dbraw/zinc/77/65/31/904776531.db2.gz ZDQSYFKUQPJFSG-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001270600376 904776542 /nfs/dbraw/zinc/77/65/42/904776542.db2.gz ZDQSYFKUQPJFSG-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001270624350 904832628 /nfs/dbraw/zinc/83/26/28/904832628.db2.gz OZMHEDRFRKNTNR-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001270624350 904832643 /nfs/dbraw/zinc/83/26/43/904832643.db2.gz OZMHEDRFRKNTNR-ZBFHGGJFSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001271609499 906547924 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C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001273019208 921571062 /nfs/dbraw/zinc/57/10/62/921571062.db2.gz SYALLCAYFKZUOZ-OCCSQVGLSA-N 2 1 290.411 1.424 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001483584281 911293805 /nfs/dbraw/zinc/29/38/05/911293805.db2.gz WLNDLXMQWQFLTC-HOTGVXAUSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001568153478 1169149697 /nfs/dbraw/zinc/14/96/97/1169149697.db2.gz VWECCMMJPLPYDS-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484126473 915448475 /nfs/dbraw/zinc/44/84/75/915448475.db2.gz WPPCWKOFUUIMCD-HIFRSBDPSA-N 2 1 299.846 1.519 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001484747260 916133498 /nfs/dbraw/zinc/13/34/98/916133498.db2.gz OFOMVWKXUTVMSG-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001484747260 916133506 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10 30 CDEEMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000600768889 349879218 /nfs/dbraw/zinc/87/92/18/349879218.db2.gz HOSVVIAPLNOAJY-XEZPLFJOSA-N 2 1 289.379 1.870 10 30 CDEEMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000602956489 344672471 /nfs/dbraw/zinc/67/24/71/344672471.db2.gz RQDRBNFCJAUXSE-OAHLLOKOSA-N 2 1 291.439 1.991 10 30 CDEEMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166184 198188651 /nfs/dbraw/zinc/18/86/51/198188651.db2.gz PAJCQONYXSTJCS-IAGOWNOFSA-N 2 1 285.391 1.619 10 30 CDEEMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166184 198188653 /nfs/dbraw/zinc/18/86/53/198188653.db2.gz PAJCQONYXSTJCS-IAGOWNOFSA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166184 198188655 /nfs/dbraw/zinc/18/86/55/198188655.db2.gz PAJCQONYXSTJCS-IAGOWNOFSA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166184 198188656 /nfs/dbraw/zinc/18/86/56/198188656.db2.gz PAJCQONYXSTJCS-IAGOWNOFSA-N 2 1 285.391 1.619 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759609 364820782 /nfs/dbraw/zinc/82/07/82/364820782.db2.gz DNPWIYZUDXVGMC-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[C@H](O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000247458429 377120743 /nfs/dbraw/zinc/12/07/43/377120743.db2.gz PLSRNMDAGQDQTG-ZBFHGGJFSA-N 2 1 284.444 1.338 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001662857463 1172605433 /nfs/dbraw/zinc/60/54/33/1172605433.db2.gz ZXBFPCMEQBCCJE-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001662857463 1172605437 /nfs/dbraw/zinc/60/54/37/1172605437.db2.gz ZXBFPCMEQBCCJE-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001662857463 1172605439 /nfs/dbraw/zinc/60/54/39/1172605439.db2.gz ZXBFPCMEQBCCJE-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001663339225 1172675315 /nfs/dbraw/zinc/67/53/15/1172675315.db2.gz FVRYLOKNASSJFS-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001663339225 1172675317 /nfs/dbraw/zinc/67/53/17/1172675317.db2.gz FVRYLOKNASSJFS-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[C@@]1(C(=O)N(C)CC[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662803078 413521416 /nfs/dbraw/zinc/52/14/16/413521416.db2.gz VDVZMHYBOSDYNH-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1cc(C#CC[NH3+])cs1 ZINC000043688962 175095424 /nfs/dbraw/zinc/09/54/24/175095424.db2.gz CMBCKIVXIAYYHR-LLVKDONJSA-N 2 1 252.383 1.525 10 30 CDEEMP CN(Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190483 176066701 /nfs/dbraw/zinc/06/67/01/176066701.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 2 1 289.398 1.519 10 30 CDEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CC[NH+](C)C1 ZINC000071190483 176066702 /nfs/dbraw/zinc/06/67/02/176066702.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 3 1 289.398 1.519 10 30 CDEEMP C[N@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CC[NH+](C)C1 ZINC000071190483 176066704 /nfs/dbraw/zinc/06/67/04/176066704.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 3 1 289.398 1.519 10 30 CDEEMP C[NH+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190483 176066705 /nfs/dbraw/zinc/06/67/05/176066705.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 3 1 289.398 1.519 10 30 CDEEMP C[NH+](Cc1ccc(F)c(C#CC[NH3+])c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190483 176066707 /nfs/dbraw/zinc/06/67/07/176066707.db2.gz QRMQYBRRIRPGFV-HNNXBMFYSA-N 3 1 289.398 1.519 10 30 CDEEMP CCCN[C@H](C#N)CC[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190727 176068235 /nfs/dbraw/zinc/06/82/35/176068235.db2.gz YLYNVWBFZHZVOO-KGLIPLIRSA-N 2 1 252.406 1.152 10 30 CDEEMP CCCN[C@H](C#N)CC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190727 176068236 /nfs/dbraw/zinc/06/82/36/176068236.db2.gz YLYNVWBFZHZVOO-KGLIPLIRSA-N 2 1 252.406 1.152 10 30 CDEEMP CCCN[C@H](C#N)CC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190727 176068238 /nfs/dbraw/zinc/06/82/38/176068238.db2.gz YLYNVWBFZHZVOO-KGLIPLIRSA-N 2 1 252.406 1.152 10 30 CDEEMP CCCN[C@H](C#N)CC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190727 176068239 /nfs/dbraw/zinc/06/82/39/176068239.db2.gz YLYNVWBFZHZVOO-KGLIPLIRSA-N 2 1 252.406 1.152 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001666162117 1173115204 /nfs/dbraw/zinc/11/52/04/1173115204.db2.gz KKBAXTIUNTZSAY-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703803 424347766 /nfs/dbraw/zinc/34/77/66/424347766.db2.gz UVDFYIFIOULUHJ-IUODEOHRSA-N 2 1 263.385 1.038 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001667566424 1173290616 /nfs/dbraw/zinc/29/06/16/1173290616.db2.gz QZNCRMZOTVLVOQ-HNNXBMFYSA-N 2 1 279.428 1.295 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001668088834 1173367649 /nfs/dbraw/zinc/36/76/49/1173367649.db2.gz ZZNYQXQDICDVII-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001669140226 1173508462 /nfs/dbraw/zinc/50/84/62/1173508462.db2.gz XAFGUZQBSOQUFY-RGDDUWESSA-N 2 1 279.428 1.556 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001669411770 1173547876 /nfs/dbraw/zinc/54/78/76/1173547876.db2.gz VNUXRXLKHOINEO-HUUCEWRRSA-N 2 1 279.428 1.367 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174876661 329164340 /nfs/dbraw/zinc/16/43/40/329164340.db2.gz JWSSIYPQXYLZLA-OAHLLOKOSA-N 2 1 251.418 1.664 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174876661 329164341 /nfs/dbraw/zinc/16/43/41/329164341.db2.gz JWSSIYPQXYLZLA-OAHLLOKOSA-N 2 1 251.418 1.664 10 30 CDEEMP C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262739714 330029116 /nfs/dbraw/zinc/02/91/16/330029116.db2.gz DJAHCOHYINNEOP-TZMCWYRMSA-N 2 1 278.444 1.967 10 30 CDEEMP C[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000262756791 330029632 /nfs/dbraw/zinc/02/96/32/330029632.db2.gz BRKGHBOUZSHAFI-OAHLLOKOSA-N 2 1 278.444 1.968 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001691446954 1159304326 /nfs/dbraw/zinc/30/43/26/1159304326.db2.gz LPQGCJKLNDVFBB-QLFBSQMISA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714547196 1179201006 /nfs/dbraw/zinc/20/10/06/1179201006.db2.gz HYEUUVFRPNNXAX-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714547196 1179201018 /nfs/dbraw/zinc/20/10/18/1179201018.db2.gz HYEUUVFRPNNXAX-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714547196 1179201026 /nfs/dbraw/zinc/20/10/26/1179201026.db2.gz HYEUUVFRPNNXAX-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+](C)CCC)C1 ZINC001714859111 1179422923 /nfs/dbraw/zinc/42/29/23/1179422923.db2.gz GCNPUVZCGLANJU-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@H+](C)CCC)C1 ZINC001714859111 1179422927 /nfs/dbraw/zinc/42/29/27/1179422927.db2.gz GCNPUVZCGLANJU-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CCC)C1 ZINC001714859111 1179422931 /nfs/dbraw/zinc/42/29/31/1179422931.db2.gz GCNPUVZCGLANJU-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001732055519 1182743729 /nfs/dbraw/zinc/74/37/29/1182743729.db2.gz YJLXUSXYTCRJTC-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001733899537 1183563085 /nfs/dbraw/zinc/56/30/85/1183563085.db2.gz JILPIKVBQUTOFX-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC[C@H](C)[NH+]1CCN(CCC[C@@](C)([NH3+])C#N)CC1 ZINC000055070108 523953250 /nfs/dbraw/zinc/95/32/50/523953250.db2.gz JNFZHUANNYPEIE-UONOGXRCSA-N 2 1 252.406 1.424 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000049609765 527149224 /nfs/dbraw/zinc/14/92/24/527149224.db2.gz NGKWZRPHFUMGEY-AWEZNQCLSA-N 2 1 262.328 1.093 10 30 CDEEMP C[C@H]1C[N@@H+](Cc2ccccc2)CCC1N=NC(N)=[NH2+] ZINC000734362090 575338969 /nfs/dbraw/zinc/33/89/69/575338969.db2.gz LFGTVYDOVISSAF-NSHDSACASA-N 2 1 259.357 1.367 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000764568824 575921198 /nfs/dbraw/zinc/92/11/98/575921198.db2.gz CKAZVASLMLPPIJ-JSGCOSHPSA-N 2 1 267.417 1.293 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000758297617 577095020 /nfs/dbraw/zinc/09/50/20/577095020.db2.gz FMTZXAQFPHELBV-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000758297617 577095023 /nfs/dbraw/zinc/09/50/23/577095023.db2.gz FMTZXAQFPHELBV-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001690293231 1175429169 /nfs/dbraw/zinc/42/91/69/1175429169.db2.gz LRFDXOISECFBCI-SHTZXODSSA-N 2 1 290.411 1.785 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940624285 613018595 /nfs/dbraw/zinc/01/85/95/613018595.db2.gz CJBJUVMPMZNVHU-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624285 613018597 /nfs/dbraw/zinc/01/85/97/613018597.db2.gz CJBJUVMPMZNVHU-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624285 613018599 /nfs/dbraw/zinc/01/85/99/613018599.db2.gz CJBJUVMPMZNVHU-LSDHHAIUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCN(C)CCC[NH2+]Cc1cccc(C(=O)OCC)n1 ZINC000894863622 619107529 /nfs/dbraw/zinc/10/75/29/619107529.db2.gz NXTSWOLPMIISSB-UHFFFAOYSA-N 2 1 289.379 1.303 10 30 CDEEMP C[C@H](CC[NH2+]Cc1cnc2ccc(C#N)cn12)[NH+](C)C ZINC000895298512 619527195 /nfs/dbraw/zinc/52/71/95/619527195.db2.gz YJYYRPVDESYMNQ-GFCCVEGCSA-N 2 1 271.368 1.636 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000900824982 623533712 /nfs/dbraw/zinc/53/37/12/623533712.db2.gz QHUYIVVYUYRLHS-ZIAGYGMSSA-N 2 1 267.417 1.435 10 30 CDEEMP C[C@]1(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987748 626174969 /nfs/dbraw/zinc/17/49/69/626174969.db2.gz IHNZTVIOZZOTRF-RDJZCZTQSA-N 2 1 299.422 1.829 10 30 CDEEMP C[C@]1(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987748 626174971 /nfs/dbraw/zinc/17/49/71/626174971.db2.gz IHNZTVIOZZOTRF-RDJZCZTQSA-N 2 1 299.422 1.829 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)[C@@H](C(C)(C)C)C1 ZINC000912030295 629724537 /nfs/dbraw/zinc/72/45/37/629724537.db2.gz DZJSGACSAJVQQA-CYBMUJFWSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000912065673 629747769 /nfs/dbraw/zinc/74/77/69/629747769.db2.gz MQEKAIZKKRSJIX-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000912285306 629893781 /nfs/dbraw/zinc/89/37/81/629893781.db2.gz VSZXZNHRDVGYEL-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC1CC1 ZINC001700190376 1158932534 /nfs/dbraw/zinc/93/25/34/1158932534.db2.gz BEBSVWHOQGWGSA-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC1CC1 ZINC001700190376 1158932536 /nfs/dbraw/zinc/93/25/36/1158932536.db2.gz BEBSVWHOQGWGSA-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC1 ZINC001700190376 1158932540 /nfs/dbraw/zinc/93/25/40/1158932540.db2.gz BEBSVWHOQGWGSA-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC1 ZINC001700190376 1158932543 /nfs/dbraw/zinc/93/25/43/1158932543.db2.gz BEBSVWHOQGWGSA-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700195946 1158934442 /nfs/dbraw/zinc/93/44/42/1158934442.db2.gz OVAKJEDZQDFSGM-OAHLLOKOSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001266942165 1159003144 /nfs/dbraw/zinc/00/31/44/1159003144.db2.gz LCSFCVDGTDTEPT-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691410651 1159061335 /nfs/dbraw/zinc/06/13/35/1159061335.db2.gz RLFLIRCFWGXQPM-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691410651 1159061343 /nfs/dbraw/zinc/06/13/43/1159061343.db2.gz RLFLIRCFWGXQPM-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691410651 1159061351 /nfs/dbraw/zinc/06/13/51/1159061351.db2.gz RLFLIRCFWGXQPM-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267032708 1159094379 /nfs/dbraw/zinc/09/43/79/1159094379.db2.gz LGTICAIGIPUOMZ-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001691497838 1159800605 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C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001565835588 1168178743 /nfs/dbraw/zinc/17/87/43/1168178743.db2.gz PQFKAFMOGUESBC-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001568185557 1169166410 /nfs/dbraw/zinc/16/64/10/1169166410.db2.gz UUQIKQXAANVWDR-OAHLLOKOSA-N 2 1 293.455 1.616 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001569004824 1169590290 /nfs/dbraw/zinc/59/02/90/1169590290.db2.gz SEOOCWHXRCJPJN-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001569549538 1169919299 /nfs/dbraw/zinc/91/92/99/1169919299.db2.gz YSJFMLQWIICFDB-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001570185538 1170104476 /nfs/dbraw/zinc/10/44/76/1170104476.db2.gz NGBGCAGQBIMSBY-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001570185538 1170104469 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CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001699474065 1176433689 /nfs/dbraw/zinc/43/36/89/1176433689.db2.gz IGNUXLQQAVTYKL-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001699474065 1176433692 /nfs/dbraw/zinc/43/36/92/1176433692.db2.gz IGNUXLQQAVTYKL-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001699582656 1176484415 /nfs/dbraw/zinc/48/44/15/1176484415.db2.gz FIENBKUZXVXJNO-HNNXBMFYSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC)C1CC1 ZINC001700723502 1177094934 /nfs/dbraw/zinc/09/49/34/1177094934.db2.gz JHZYMJKRNNWAMR-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC)C1CC1 ZINC001700723502 1177094941 /nfs/dbraw/zinc/09/49/41/1177094941.db2.gz JHZYMJKRNNWAMR-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001700843051 1177162506 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C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CCCC)CC1 ZINC001707424283 1178039147 /nfs/dbraw/zinc/03/91/47/1178039147.db2.gz VETVIKUSDHDIOV-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001707442184 1178047176 /nfs/dbraw/zinc/04/71/76/1178047176.db2.gz YECRJFJGSDGPAA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713477716 1178594704 /nfs/dbraw/zinc/59/47/04/1178594704.db2.gz AQFRHMQXMMEVNW-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530342 1178630100 /nfs/dbraw/zinc/63/01/00/1178630100.db2.gz CVCZEWWLEIFZTE-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001713704625 1178716228 /nfs/dbraw/zinc/71/62/28/1178716228.db2.gz ZFCMZJIYDIMKLX-SJORKVTESA-N 2 1 299.418 1.409 10 30 CDEEMP C=CCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001713761846 1178742047 /nfs/dbraw/zinc/74/20/47/1178742047.db2.gz UFJIQGHUAUMYAD-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713761846 1178742052 /nfs/dbraw/zinc/74/20/52/1178742052.db2.gz UFJIQGHUAUMYAD-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001713761846 1178742057 /nfs/dbraw/zinc/74/20/57/1178742057.db2.gz UFJIQGHUAUMYAD-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001713896515 1178829090 /nfs/dbraw/zinc/82/90/90/1178829090.db2.gz CWMBEXUOUMPGOO-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001714016749 1178928547 /nfs/dbraw/zinc/92/85/47/1178928547.db2.gz ZLNVAPKXJFTEOE-BETUJISGSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001714018857 1178930591 /nfs/dbraw/zinc/93/05/91/1178930591.db2.gz WJAYZXXJSINFNK-HRCADAONSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001714055660 1178949762 /nfs/dbraw/zinc/94/97/62/1178949762.db2.gz FYDGPMOHZARRIW-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001714384786 1179116316 /nfs/dbraw/zinc/11/63/16/1179116316.db2.gz IRSMQTWFCDSHEH-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714656355 1179303764 /nfs/dbraw/zinc/30/37/64/1179303764.db2.gz JXJDIJNETADIKC-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714727037 1179361418 /nfs/dbraw/zinc/36/14/18/1179361418.db2.gz HPZVSZYNKJCOIR-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001715008027 1179506748 /nfs/dbraw/zinc/50/67/48/1179506748.db2.gz DRPFVAAUBIRVNP-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715040475 1179523324 /nfs/dbraw/zinc/52/33/24/1179523324.db2.gz QCCVYHVCJJRUPW-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715040475 1179523326 /nfs/dbraw/zinc/52/33/26/1179523326.db2.gz QCCVYHVCJJRUPW-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715040475 1179523330 /nfs/dbraw/zinc/52/33/30/1179523330.db2.gz QCCVYHVCJJRUPW-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001715272217 1179604552 /nfs/dbraw/zinc/60/45/52/1179604552.db2.gz OHHFPANWRHHRKO-CYBMUJFWSA-N 2 1 278.400 1.500 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001715290165 1179612697 /nfs/dbraw/zinc/61/26/97/1179612697.db2.gz FKKOXBDHRKKUHR-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001715490854 1179680445 /nfs/dbraw/zinc/68/04/45/1179680445.db2.gz CBOQTZLILZOESY-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715798102 1179825602 /nfs/dbraw/zinc/82/56/02/1179825602.db2.gz JMZXGNXLCRDORL-AFNCTOJWSA-N 2 1 265.401 1.309 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716042562 1180017772 /nfs/dbraw/zinc/01/77/72/1180017772.db2.gz QMZGFJHSKGRYSV-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001716145897 1180071502 /nfs/dbraw/zinc/07/15/02/1180071502.db2.gz UWUDLCVAEMZUGE-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653802 1180339576 /nfs/dbraw/zinc/33/95/76/1180339576.db2.gz OUVROGWHSUOGAK-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653802 1180339585 /nfs/dbraw/zinc/33/95/85/1180339585.db2.gz OUVROGWHSUOGAK-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653802 1180339592 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CDEEMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001734094330 1183655014 /nfs/dbraw/zinc/65/50/14/1183655014.db2.gz SJVTUXNPVCIOBU-HZPDHXFCSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000876728845 1165902466 /nfs/dbraw/zinc/90/24/66/1165902466.db2.gz XSTAQHRAATVRFE-RYUDHWBXSA-N 2 1 273.808 1.257 10 30 CDEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@H]1[C@@H]3[NH2+]C[C@H]4C[C@H]1C[C@H]34)C2 ZINC000925729030 843648870 /nfs/dbraw/zinc/64/88/70/843648870.db2.gz ODFWASMIGKUOJU-PYTCMNEWSA-N 2 1 279.387 1.611 10 30 CDEEMP C#CCCCCC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000878338311 844859307 /nfs/dbraw/zinc/85/93/07/844859307.db2.gz PFOCUUDCWUFADL-UHFFFAOYSA-N 2 1 294.439 1.339 10 30 CDEEMP C#CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)C(C)(C)C ZINC000932465815 845559938 /nfs/dbraw/zinc/55/99/38/845559938.db2.gz MYPNREGIBDKPMG-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000876723216 845882806 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C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566631517 1168362531 /nfs/dbraw/zinc/36/25/31/1168362531.db2.gz XUTPFPRPYVNPHU-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001566631517 1168362538 /nfs/dbraw/zinc/36/25/38/1168362538.db2.gz XUTPFPRPYVNPHU-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)CCCn1cc[nH+]c1C)C1CC1 ZINC001566725492 1168401397 /nfs/dbraw/zinc/40/13/97/1168401397.db2.gz GISFPKHAZABZJP-OAHLLOKOSA-N 2 1 288.395 1.089 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCCCCC)C1 ZINC001566774799 1168416837 /nfs/dbraw/zinc/41/68/37/1168416837.db2.gz XETGBJKKDTXROE-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001567266860 1168643788 /nfs/dbraw/zinc/64/37/88/1168643788.db2.gz QGYMPAHLLUDUIW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567266860 1168643792 /nfs/dbraw/zinc/64/37/92/1168643792.db2.gz QGYMPAHLLUDUIW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001567266860 1168643794 /nfs/dbraw/zinc/64/37/94/1168643794.db2.gz QGYMPAHLLUDUIW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)CCn1ccnc1 ZINC001567427856 1168753399 /nfs/dbraw/zinc/75/33/99/1168753399.db2.gz HIKRJDRDFUAZMT-UHFFFAOYSA-N 2 1 276.384 1.125 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266311822 894335279 /nfs/dbraw/zinc/33/52/79/894335279.db2.gz JSVBAJLZFMNZHC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266311822 894335266 /nfs/dbraw/zinc/33/52/66/894335266.db2.gz JSVBAJLZFMNZHC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266311822 894335295 /nfs/dbraw/zinc/33/52/95/894335295.db2.gz JSVBAJLZFMNZHC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1CC1 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C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001479789481 971419061 /nfs/dbraw/zinc/41/90/61/971419061.db2.gz PUIURFCIDYFRBV-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001479789481 971419066 /nfs/dbraw/zinc/41/90/66/971419066.db2.gz PUIURFCIDYFRBV-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001479833346 971441807 /nfs/dbraw/zinc/44/18/07/971441807.db2.gz XVYCBQWSCFUOKI-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279033866 948626652 /nfs/dbraw/zinc/62/66/52/948626652.db2.gz GTJPSMNQRHHKLT-UONOGXRCSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279033866 948626655 /nfs/dbraw/zinc/62/66/55/948626655.db2.gz GTJPSMNQRHHKLT-UONOGXRCSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001480254454 971649880 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C=CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001480711390 971846415 /nfs/dbraw/zinc/84/64/15/971846415.db2.gz ZGNXKNBLZXGXPN-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001569136008 1169681098 /nfs/dbraw/zinc/68/10/98/1169681098.db2.gz JRQQWALIIHEKOS-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001325679420 954022628 /nfs/dbraw/zinc/02/26/28/954022628.db2.gz ILFHASYAFLYKEE-JYJNAYRXSA-N 2 1 293.455 1.636 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001326305428 954311884 /nfs/dbraw/zinc/31/18/84/954311884.db2.gz UKLACDCFZHNNFE-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001326555307 954431835 /nfs/dbraw/zinc/43/18/35/954431835.db2.gz PYZAPTAZZCKEKS-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001330244317 956342422 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CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001317546873 957541827 /nfs/dbraw/zinc/54/18/27/957541827.db2.gz IHNNZNJMHIGNJU-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317795761 957667427 /nfs/dbraw/zinc/66/74/27/957667427.db2.gz OEEDFDBWLTUDKU-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001317936469 957822556 /nfs/dbraw/zinc/82/25/56/957822556.db2.gz LDDUHXLKVXNBHT-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001317936469 957822572 /nfs/dbraw/zinc/82/25/72/957822572.db2.gz LDDUHXLKVXNBHT-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001318201443 957974460 /nfs/dbraw/zinc/97/44/60/957974460.db2.gz ODDNLWGOQYNZJN-KKUMJFAQSA-N 2 1 297.418 1.528 10 30 CDEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001333043894 958039809 /nfs/dbraw/zinc/03/98/09/958039809.db2.gz YGFJIESPOCKGMV-NRXISQOPSA-N 2 1 279.428 1.626 10 30 CDEEMP C#CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001319622421 958659303 /nfs/dbraw/zinc/65/93/03/958659303.db2.gz SIBURVZQUUWKBJ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001319711180 958696268 /nfs/dbraw/zinc/69/62/68/958696268.db2.gz HBFULTAXYMBGBA-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+]CC1(NC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001495212167 972437607 /nfs/dbraw/zinc/43/76/07/972437607.db2.gz YZJCUJPDSKLKBF-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001322305585 960176344 /nfs/dbraw/zinc/17/63/44/960176344.db2.gz FMURRUDFDUCBFW-HOCLYGCPSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001322305585 960176351 /nfs/dbraw/zinc/17/63/51/960176351.db2.gz FMURRUDFDUCBFW-HOCLYGCPSA-N 2 1 287.407 1.359 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001420784695 963238057 /nfs/dbraw/zinc/23/80/57/963238057.db2.gz HKAMMVFJHHQMTK-QWHCGFSZSA-N 2 1 285.819 1.175 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001441362952 964475736 /nfs/dbraw/zinc/47/57/36/964475736.db2.gz HHEHMLVVRSUTDJ-UBHSHLNASA-N 2 1 299.846 1.565 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)Nc1ccc(-n2cc[nH+]c2C)nc1 ZINC001540914766 967182473 /nfs/dbraw/zinc/18/24/73/967182473.db2.gz MJSJEKHRGXBTGE-UHFFFAOYSA-N 2 1 285.351 1.632 10 30 CDEEMP C#CCOCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460980547 969584653 /nfs/dbraw/zinc/58/46/53/969584653.db2.gz WEZXXMUZHZVIQD-IYBDPMFKSA-N 2 1 262.397 1.444 10 30 CDEEMP C#CCOCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001460980547 969584660 /nfs/dbraw/zinc/58/46/60/969584660.db2.gz WEZXXMUZHZVIQD-IYBDPMFKSA-N 2 1 262.397 1.444 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001495731425 972612958 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C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001500253614 974410541 /nfs/dbraw/zinc/41/05/41/974410541.db2.gz IRPBEANKSXWBEH-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501579150 974602706 /nfs/dbraw/zinc/60/27/06/974602706.db2.gz YQQJKNZCFNBVTK-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001501617848 974609066 /nfs/dbraw/zinc/60/90/66/974609066.db2.gz GAIQSGMDRVFNMV-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001506752021 975216911 /nfs/dbraw/zinc/21/69/11/975216911.db2.gz NBMWMCUJONPHGE-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506752021 975216916 /nfs/dbraw/zinc/21/69/16/975216916.db2.gz NBMWMCUJONPHGE-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001506752021 975216920 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CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001398455762 975994150 /nfs/dbraw/zinc/99/41/50/975994150.db2.gz LCJIATVTTQCKQI-STQMWFEESA-N 2 1 285.819 1.175 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001391324165 976817726 /nfs/dbraw/zinc/81/77/26/976817726.db2.gz DRBQKOUAGYQWJD-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001391324165 976817729 /nfs/dbraw/zinc/81/77/29/976817729.db2.gz DRBQKOUAGYQWJD-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001391324165 976817747 /nfs/dbraw/zinc/81/77/47/976817747.db2.gz DRBQKOUAGYQWJD-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001674224285 1173925044 /nfs/dbraw/zinc/92/50/44/1173925044.db2.gz IWYBMOSWJOEIAQ-KKUMJFAQSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001675936263 1174168091 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299.434 1.823 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001663422584 1172692301 /nfs/dbraw/zinc/69/23/01/1172692301.db2.gz JUYXSZVSSXSKGU-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001663422584 1172692306 /nfs/dbraw/zinc/69/23/06/1172692306.db2.gz JUYXSZVSSXSKGU-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCOCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000338979728 391237892 /nfs/dbraw/zinc/23/78/92/391237892.db2.gz BTQMFMLXAWBQOI-MRXNPFEDSA-N 2 1 281.444 1.291 10 30 CDEEMP C=CCOCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000338979728 391237894 /nfs/dbraw/zinc/23/78/94/391237894.db2.gz BTQMFMLXAWBQOI-MRXNPFEDSA-N 2 1 281.444 1.291 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@@H](C)Cn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662688064 413315485 /nfs/dbraw/zinc/31/54/85/413315485.db2.gz LXQNDKRXKNYORQ-CZUORRHYSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H](C)Cn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662688060 413314928 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CDEEMP CNC(=O)[C@H]1CCCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043684089 175092074 /nfs/dbraw/zinc/09/20/74/175092074.db2.gz YYMAYTGRRVYZNS-CYBMUJFWSA-N 2 1 291.420 1.159 10 30 CDEEMP CC1(C)COCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689023 175095357 /nfs/dbraw/zinc/09/53/57/175095357.db2.gz PGMGDVOVXDPCNI-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP CC1(C)COCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689023 175095358 /nfs/dbraw/zinc/09/53/58/175095358.db2.gz PGMGDVOVXDPCNI-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP CC(C)C[N@H+](CCCC[C@@](C)([NH3+])C#N)CCN(C)C ZINC000045314017 175357116 /nfs/dbraw/zinc/35/71/16/175357116.db2.gz DKTFZLVIWDPMJX-OAHLLOKOSA-N 2 1 268.449 1.917 10 30 CDEEMP CC(C)C[N@@H+](CCCC[C@@](C)([NH3+])C#N)CCN(C)C ZINC000045314017 175357117 /nfs/dbraw/zinc/35/71/17/175357117.db2.gz DKTFZLVIWDPMJX-OAHLLOKOSA-N 2 1 268.449 1.917 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001666115353 1173112183 /nfs/dbraw/zinc/11/21/83/1173112183.db2.gz NEXOLBMLZORCAP-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666558346 1173152339 /nfs/dbraw/zinc/15/23/39/1173152339.db2.gz NHYZAJUMABQVPQ-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000109754599 262256245 /nfs/dbraw/zinc/25/62/45/262256245.db2.gz FZEZMCMQYCJTOT-OAHLLOKOSA-N 2 1 251.418 1.664 10 30 CDEEMP C=C(C)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000109754599 262256247 /nfs/dbraw/zinc/25/62/47/262256247.db2.gz FZEZMCMQYCJTOT-OAHLLOKOSA-N 2 1 251.418 1.664 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@H](C[N@H+](C)CCC)C2)CCC[NH2+]1 ZINC000662748699 424400459 /nfs/dbraw/zinc/40/04/59/424400459.db2.gz ZMYQVKZSMKQBBO-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001667306251 1173251484 /nfs/dbraw/zinc/25/14/84/1173251484.db2.gz AWTOFMWAAIDJQI-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001667519643 1173278082 /nfs/dbraw/zinc/27/80/82/1173278082.db2.gz KEPYMPRYVRREHF-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001667519643 1173278088 /nfs/dbraw/zinc/27/80/88/1173278088.db2.gz KEPYMPRYVRREHF-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668066834 1173364343 /nfs/dbraw/zinc/36/43/43/1173364343.db2.gz ZHDZFIILIINGHD-BFHYXJOUSA-N 2 1 267.417 1.387 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001673982221 1173903939 /nfs/dbraw/zinc/90/39/39/1173903939.db2.gz QBJOZUBYQLRQLW-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000171907753 329081947 /nfs/dbraw/zinc/08/19/47/329081947.db2.gz XDPXEHJPNPFVIX-OAHLLOKOSA-N 2 1 292.427 1.126 10 30 CDEEMP C[C@@H]1CN(C(=[NH2+])NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CCO1 ZINC000262496799 330017862 /nfs/dbraw/zinc/01/78/62/330017862.db2.gz WUVVWQUHHFLSHN-UONOGXRCSA-N 2 1 296.459 1.532 10 30 CDEEMP CC[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262851790 330035312 /nfs/dbraw/zinc/03/53/12/330035312.db2.gz ZTSDHMJAJSOZND-YPMHNXCESA-N 2 1 264.417 1.577 10 30 CDEEMP CC[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262851790 330035313 /nfs/dbraw/zinc/03/53/13/330035313.db2.gz ZTSDHMJAJSOZND-YPMHNXCESA-N 2 1 264.417 1.577 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001267284826 1159238004 /nfs/dbraw/zinc/23/80/04/1159238004.db2.gz TUHMIPBTFQRUQC-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731270768 1159287352 /nfs/dbraw/zinc/28/73/52/1159287352.db2.gz ZMNRRNMEURTYTC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001699738356 1176596865 /nfs/dbraw/zinc/59/68/65/1176596865.db2.gz KYSAMSFVNGONTP-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)CCOc1cccc(C#CC[NH3+])c1 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C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921356 932135835 /nfs/dbraw/zinc/13/58/35/932135835.db2.gz SKHKMJROEIWJLR-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C[C@@H](C(=O)OC)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000691900905 933175267 /nfs/dbraw/zinc/17/52/67/933175267.db2.gz QAARKOZDELHWCZ-ZDUSSCGKSA-N 2 1 266.385 1.522 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCNc1ccc(C)c[nH+]1 ZINC001122322054 937921413 /nfs/dbraw/zinc/92/14/13/937921413.db2.gz DAMHUWYIPYLBGS-LLVKDONJSA-N 2 1 282.775 1.388 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001276747111 940964316 /nfs/dbraw/zinc/96/43/16/940964316.db2.gz CPFMEIXNBFXNEL-PHZGNYQRSA-N 2 1 291.439 1.342 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001282392240 942704409 /nfs/dbraw/zinc/70/44/09/942704409.db2.gz YAYVWBYCGJUQMR-QLFBSQMISA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001282392240 942704414 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CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001277836406 943763428 /nfs/dbraw/zinc/76/34/28/943763428.db2.gz NNIRQZJXGLAKTG-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266043202 944651350 /nfs/dbraw/zinc/65/13/50/944651350.db2.gz VHPLKFAREKYXDC-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266043202 944651354 /nfs/dbraw/zinc/65/13/54/944651354.db2.gz VHPLKFAREKYXDC-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266043202 944651360 /nfs/dbraw/zinc/65/13/60/944651360.db2.gz VHPLKFAREKYXDC-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001479739503 971389458 /nfs/dbraw/zinc/38/94/58/971389458.db2.gz ZRHSKRFEQPJXQX-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)CC ZINC001479739503 971389463 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C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001325642432 954004399 /nfs/dbraw/zinc/00/43/99/954004399.db2.gz GAEPUSGOWZUAAC-MUJYYYPQSA-N 2 1 291.439 1.627 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001326555229 954431300 /nfs/dbraw/zinc/43/13/00/954431300.db2.gz NSMHHZPZGJAHJP-BZUAXINKSA-N 2 1 291.439 1.226 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001493309062 972014180 /nfs/dbraw/zinc/01/41/80/972014180.db2.gz DUMBWLRYCDEGJH-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001493309062 972014185 /nfs/dbraw/zinc/01/41/85/972014185.db2.gz DUMBWLRYCDEGJH-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001493309062 972014190 /nfs/dbraw/zinc/01/41/90/972014190.db2.gz DUMBWLRYCDEGJH-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001328096510 955190215 /nfs/dbraw/zinc/19/02/15/955190215.db2.gz BBVQZQITQSVGJN-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001329460662 955929117 /nfs/dbraw/zinc/92/91/17/955929117.db2.gz RFVDVDIPCPLBLN-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001329460662 955929124 /nfs/dbraw/zinc/92/91/24/955929124.db2.gz RFVDVDIPCPLBLN-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001329460662 955929133 /nfs/dbraw/zinc/92/91/33/955929133.db2.gz RFVDVDIPCPLBLN-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001494172244 972193996 /nfs/dbraw/zinc/19/39/96/972193996.db2.gz NQFGMUMRVFPQFS-CQSZACIVSA-N 2 1 277.412 1.049 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001317477812 956634955 /nfs/dbraw/zinc/63/49/55/956634955.db2.gz PWKVFQCJGKTWPF-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317477812 956634961 /nfs/dbraw/zinc/63/49/61/956634961.db2.gz PWKVFQCJGKTWPF-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001317477812 956634973 /nfs/dbraw/zinc/63/49/73/956634973.db2.gz PWKVFQCJGKTWPF-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317091309 956952322 /nfs/dbraw/zinc/95/23/22/956952322.db2.gz PVNMLROBGBNIKV-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317046101 957227158 /nfs/dbraw/zinc/22/71/58/957227158.db2.gz VGKCJXGOLQMAKW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001317202072 957339847 /nfs/dbraw/zinc/33/98/47/957339847.db2.gz DUVWTUZVXQGEEM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001317202072 957339858 /nfs/dbraw/zinc/33/98/58/957339858.db2.gz DUVWTUZVXQGEEM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C(C)C)C1 ZINC001317202072 957339869 /nfs/dbraw/zinc/33/98/69/957339869.db2.gz DUVWTUZVXQGEEM-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317247457 957377320 /nfs/dbraw/zinc/37/73/20/957377320.db2.gz QAWYKXFEAMBYIP-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=C)Cl ZINC001317396331 957451987 /nfs/dbraw/zinc/45/19/87/957451987.db2.gz NHAVQKQIBRNSGR-KGLIPLIRSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=C)Cl ZINC001317396331 957451989 /nfs/dbraw/zinc/45/19/89/957451989.db2.gz NHAVQKQIBRNSGR-KGLIPLIRSA-N 2 1 297.830 1.321 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001317506208 957518541 /nfs/dbraw/zinc/51/85/41/957518541.db2.gz XKJGWQGNVDCCDE-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317506208 957518548 /nfs/dbraw/zinc/51/85/48/957518548.db2.gz XKJGWQGNVDCCDE-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317506208 957518552 /nfs/dbraw/zinc/51/85/52/957518552.db2.gz XKJGWQGNVDCCDE-OWCLPIDISA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001317600940 957591226 /nfs/dbraw/zinc/59/12/26/957591226.db2.gz OLMIYIGGWDLPKG-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+](C)C)C1 ZINC001494909563 972334259 /nfs/dbraw/zinc/33/42/59/972334259.db2.gz KAYGTQYLFRSLTI-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001333432837 958333192 /nfs/dbraw/zinc/33/31/92/958333192.db2.gz FZFVNCRMJPPNQY-INIZCTEOSA-N 2 1 289.423 1.100 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001333432837 958333203 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CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498399890 973886589 /nfs/dbraw/zinc/88/65/89/973886589.db2.gz ROCUYPFGONZHKS-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001499689558 974289389 /nfs/dbraw/zinc/28/93/89/974289389.db2.gz NAZXRVULDBRATE-OAHLLOKOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001499927199 974338116 /nfs/dbraw/zinc/33/81/16/974338116.db2.gz ZPONZGRIMHIACQ-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001501427255 974582864 /nfs/dbraw/zinc/58/28/64/974582864.db2.gz FCSDCBSWYQYHAO-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001501427255 974582868 /nfs/dbraw/zinc/58/28/68/974582868.db2.gz FCSDCBSWYQYHAO-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001501427255 974582872 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CC#CC[N@@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001507856102 975549009 /nfs/dbraw/zinc/54/90/09/975549009.db2.gz VWWYLCXGEMNIFZ-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001507856102 975549016 /nfs/dbraw/zinc/54/90/16/975549016.db2.gz VWWYLCXGEMNIFZ-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001507856102 975549025 /nfs/dbraw/zinc/54/90/25/975549025.db2.gz VWWYLCXGEMNIFZ-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C=C(Cl)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001402776529 976478145 /nfs/dbraw/zinc/47/81/45/976478145.db2.gz XVIOPKPGKPYKOB-ZDUSSCGKSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001403023262 976665878 /nfs/dbraw/zinc/66/58/78/976665878.db2.gz PLYIUJQKUMHSDX-VXGBXAGGSA-N 2 1 284.791 1.427 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001492816502 977650732 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C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656113138 1171768133 /nfs/dbraw/zinc/76/81/33/1171768133.db2.gz RFMQDIPRIKQAAI-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594437181 342905470 /nfs/dbraw/zinc/90/54/70/342905470.db2.gz IZOMTOICZFVRQH-CABCVRRESA-N 2 1 294.443 1.634 10 30 CDEEMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594439634 342906827 /nfs/dbraw/zinc/90/68/27/342906827.db2.gz TUWJICFFSSRSDZ-KGLIPLIRSA-N 2 1 280.416 1.198 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000594440845 342907506 /nfs/dbraw/zinc/90/75/06/342907506.db2.gz INVYCFINDSSNIH-MJBXVCDLSA-N 2 1 278.400 1.141 10 30 CDEEMP C=CCCC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000091593941 342405984 /nfs/dbraw/zinc/40/59/84/342405984.db2.gz MSJWHFHHKBUZPZ-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)COC(C)C)CC1 ZINC000644549045 366167172 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CDEEMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3C#N)C[C@@H]2C1 ZINC000193634771 375885847 /nfs/dbraw/zinc/88/58/47/375885847.db2.gz LAQXOFPSYHWECQ-GASCZTMLSA-N 2 1 298.390 1.380 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001662138328 1172486167 /nfs/dbraw/zinc/48/61/67/1172486167.db2.gz HCFOVRLXFKOKBG-FHERZECASA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1=O ZINC000420381184 376343833 /nfs/dbraw/zinc/34/38/33/376343833.db2.gz CJKPURPCJVUJBQ-ZNMIVQPWSA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1=O ZINC000420381184 376343837 /nfs/dbraw/zinc/34/38/37/376343837.db2.gz CJKPURPCJVUJBQ-ZNMIVQPWSA-N 2 1 277.412 1.237 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC(C)C ZINC001662245105 1172515855 /nfs/dbraw/zinc/51/58/55/1172515855.db2.gz VWENDQKKJQEBGS-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC(C)C ZINC001662245105 1172515860 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CDEEMP C=CC[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001566992396 1168489777 /nfs/dbraw/zinc/48/97/77/1168489777.db2.gz UZEADWXRXQTDEX-UHFFFAOYSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC(C)C)CC1 ZINC001567353685 1168698411 /nfs/dbraw/zinc/69/84/11/1168698411.db2.gz BIQXQNZLXCRPIC-UHFFFAOYSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001567752540 1168952782 /nfs/dbraw/zinc/95/27/82/1168952782.db2.gz XCZWTBVNDXMQQY-HNNXBMFYSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001567752540 1168952793 /nfs/dbraw/zinc/95/27/93/1168952793.db2.gz XCZWTBVNDXMQQY-HNNXBMFYSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567752540 1168952802 /nfs/dbraw/zinc/95/28/02/1168952802.db2.gz XCZWTBVNDXMQQY-HNNXBMFYSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001568241352 1169193960 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1.138 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001713394469 1178535058 /nfs/dbraw/zinc/53/50/58/1178535058.db2.gz UHZYOYKRAALUIW-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001713457714 1178577721 /nfs/dbraw/zinc/57/77/21/1178577721.db2.gz LIAITSGIOXGGNH-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001713457714 1178577726 /nfs/dbraw/zinc/57/77/26/1178577726.db2.gz LIAITSGIOXGGNH-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001713457714 1178577729 /nfs/dbraw/zinc/57/77/29/1178577729.db2.gz LIAITSGIOXGGNH-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001713515407 1178617852 /nfs/dbraw/zinc/61/78/52/1178617852.db2.gz UMTWIKXZQZXWMJ-HUUCEWRRSA-N 2 1 288.395 1.438 10 30 CDEEMP CC#CCN1CCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001713515407 1178617854 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CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000794207010 711744632 /nfs/dbraw/zinc/74/46/32/711744632.db2.gz PTBAKJKIPUIUTF-GPANFISMSA-N 2 1 289.423 1.217 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001566516717 1168318232 /nfs/dbraw/zinc/31/82/32/1168318232.db2.gz VUSNEVFEZUGVRP-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001566516717 1168318234 /nfs/dbraw/zinc/31/82/34/1168318234.db2.gz VUSNEVFEZUGVRP-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001566516717 1168318237 /nfs/dbraw/zinc/31/82/37/1168318237.db2.gz VUSNEVFEZUGVRP-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001566854072 1168445031 /nfs/dbraw/zinc/44/50/31/1168445031.db2.gz CUAHPTCIUIDBES-GASCZTMLSA-N 2 1 288.395 1.232 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001567177230 1168605772 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C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267986662 900201211 /nfs/dbraw/zinc/20/12/11/900201211.db2.gz NTNSPNSJIJOUNA-BFHYXJOUSA-N 2 1 267.417 1.245 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267988925 900204557 /nfs/dbraw/zinc/20/45/57/900204557.db2.gz BYTFNTOLBKQFPB-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)C ZINC001481355153 900489735 /nfs/dbraw/zinc/48/97/35/900489735.db2.gz XLJCXVNEHHIXHK-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001481355153 900489742 /nfs/dbraw/zinc/48/97/42/900489742.db2.gz XLJCXVNEHHIXHK-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001481363791 900497434 /nfs/dbraw/zinc/49/74/34/900497434.db2.gz VBPBTFJSFNQSJD-HZPDHXFCSA-N 2 1 285.391 1.161 10 30 CDEEMP C=CCCCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481559534 901214990 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CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268424382 902039690 /nfs/dbraw/zinc/03/96/90/902039690.db2.gz OUCDBMKKQYRVQW-LSDHHAIUSA-N 2 1 297.443 1.158 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268424382 902039699 /nfs/dbraw/zinc/03/96/99/902039699.db2.gz OUCDBMKKQYRVQW-LSDHHAIUSA-N 2 1 297.443 1.158 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268582110 902664777 /nfs/dbraw/zinc/66/47/77/902664777.db2.gz GAKWEDJTJLGGBE-NFAHFFEMSA-N 2 1 277.412 1.004 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[N@@H+](C)CCC)C1 ZINC001269881697 904178399 /nfs/dbraw/zinc/17/83/99/904178399.db2.gz MOWFNPJIZGSUAF-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001269881697 904178401 /nfs/dbraw/zinc/17/84/01/904178401.db2.gz MOWFNPJIZGSUAF-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001270991256 905531998 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CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001482606282 907873950 /nfs/dbraw/zinc/87/39/50/907873950.db2.gz NBZTVWWBKYOZIF-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001272185557 908694860 /nfs/dbraw/zinc/69/48/60/908694860.db2.gz PEYAQYGVWYWJQA-UHFFFAOYSA-N 2 1 279.428 1.276 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001483128509 909686122 /nfs/dbraw/zinc/68/61/22/909686122.db2.gz GRVUNCIWSOMEGI-HUUCEWRRSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001568059759 1169130321 /nfs/dbraw/zinc/13/03/21/1169130321.db2.gz ADEJURZZVOKLHM-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483420414 911092287 /nfs/dbraw/zinc/09/22/87/911092287.db2.gz ITVUWEPZVFFHDX-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001568097984 1169135438 /nfs/dbraw/zinc/13/54/38/1169135438.db2.gz NOHXDQVAMUKFFV-OAHLLOKOSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001483942915 915216216 /nfs/dbraw/zinc/21/62/16/915216216.db2.gz SCDJUEFGTPDOHL-KKUMJFAQSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CCC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001484048933 915355609 /nfs/dbraw/zinc/35/56/09/915355609.db2.gz YBEQOVFHQPVTEB-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484048933 915355631 /nfs/dbraw/zinc/35/56/31/915355631.db2.gz YBEQOVFHQPVTEB-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001484048933 915355650 /nfs/dbraw/zinc/35/56/50/915355650.db2.gz YBEQOVFHQPVTEB-DOTOQJQBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001484067331 915374628 /nfs/dbraw/zinc/37/46/28/915374628.db2.gz IVWXFTRIMJTOPW-INIZCTEOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001484372768 915690564 /nfs/dbraw/zinc/69/05/64/915690564.db2.gz VKVOCOZKPNDEFA-OCCSQVGLSA-N 2 1 276.384 1.062 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001484910895 916261247 /nfs/dbraw/zinc/26/12/47/916261247.db2.gz YLCNVHDUYDHLMV-CABCVRRESA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001485331886 916830423 /nfs/dbraw/zinc/83/04/23/916830423.db2.gz FSNNSESUJWDMPZ-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001485578053 917107650 /nfs/dbraw/zinc/10/76/50/917107650.db2.gz SUUDQQDLNNZAKK-CYBMUJFWSA-N 2 1 279.428 1.341 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001272837617 919889058 /nfs/dbraw/zinc/88/90/58/919889058.db2.gz KACFNWUSXSICAO-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1(C)C ZINC001486234455 920850767 /nfs/dbraw/zinc/85/07/67/920850767.db2.gz VCKKHZKEYNJZJC-RBSFLKMASA-N 2 1 291.439 1.177 10 30 CDEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001491238134 936880854 /nfs/dbraw/zinc/88/08/54/936880854.db2.gz YZIOFVWNOAOHID-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001491238134 936880856 /nfs/dbraw/zinc/88/08/56/936880856.db2.gz YZIOFVWNOAOHID-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001491238134 936880859 /nfs/dbraw/zinc/88/08/59/936880859.db2.gz YZIOFVWNOAOHID-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)Cc1[nH]c(C)nc1C ZINC001193921660 923985707 /nfs/dbraw/zinc/98/57/07/923985707.db2.gz ZZSXNNRQBLTDQR-UHFFFAOYSA-N 2 1 250.390 1.966 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)Cc1[nH]c(C)[nH+]c1C ZINC001193921660 923985725 /nfs/dbraw/zinc/98/57/25/923985725.db2.gz ZZSXNNRQBLTDQR-UHFFFAOYSA-N 2 1 250.390 1.966 10 30 CDEEMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001649463861 1169266050 /nfs/dbraw/zinc/26/60/50/1169266050.db2.gz NJLVKRPXEWAKIA-UONOGXRCSA-N 2 1 279.428 1.034 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001490580167 927242439 /nfs/dbraw/zinc/24/24/39/927242439.db2.gz RQVKOUMHSYQAPH-SJORKVTESA-N 2 1 299.418 1.503 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001490580167 927242448 /nfs/dbraw/zinc/24/24/48/927242448.db2.gz RQVKOUMHSYQAPH-SJORKVTESA-N 2 1 299.418 1.503 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001493006301 931712493 /nfs/dbraw/zinc/71/24/93/931712493.db2.gz FPQAYSYPYPNCDM-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001493006301 931712495 /nfs/dbraw/zinc/71/24/95/931712495.db2.gz FPQAYSYPYPNCDM-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001493006301 931712499 /nfs/dbraw/zinc/71/24/99/931712499.db2.gz FPQAYSYPYPNCDM-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001275571931 931887697 /nfs/dbraw/zinc/88/76/97/931887697.db2.gz SHNJRHNGKZYSJE-CHWSQXEVSA-N 2 1 278.400 1.641 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001275729748 931983185 /nfs/dbraw/zinc/98/31/85/931983185.db2.gz OQZJBMPMQDMAFQ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001275986998 932203873 /nfs/dbraw/zinc/20/38/73/932203873.db2.gz QNLBEAJWLWNCPK-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001275986998 932203876 /nfs/dbraw/zinc/20/38/76/932203876.db2.gz QNLBEAJWLWNCPK-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001275986998 932203880 /nfs/dbraw/zinc/20/38/80/932203880.db2.gz QNLBEAJWLWNCPK-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001276146649 932564770 /nfs/dbraw/zinc/56/47/70/932564770.db2.gz HQJCAZNRHMRRNG-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001278266603 945224762 /nfs/dbraw/zinc/22/47/62/945224762.db2.gz GATZLKVXVAOKFQ-HOTGVXAUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001276970460 941751849 /nfs/dbraw/zinc/75/18/49/941751849.db2.gz RAGQNMAVVQBWMS-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001276970460 941751850 /nfs/dbraw/zinc/75/18/50/941751850.db2.gz RAGQNMAVVQBWMS-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001276970460 941751852 /nfs/dbraw/zinc/75/18/52/941751852.db2.gz RAGQNMAVVQBWMS-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001280521216 942455972 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CDEEMP C=CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317140586 957300003 /nfs/dbraw/zinc/30/00/03/957300003.db2.gz QZGITJGVEXETDF-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317147118 957305858 /nfs/dbraw/zinc/30/58/58/957305858.db2.gz NMZSJMUMYFHIDH-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317559408 957554783 /nfs/dbraw/zinc/55/47/83/957554783.db2.gz XGVRWDKQSFVTGF-UHFFFAOYSA-N 2 1 277.412 1.239 10 30 CDEEMP C#CC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317810868 957675367 /nfs/dbraw/zinc/67/53/67/957675367.db2.gz GRDWQTCAMVWOSW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317810868 957675373 /nfs/dbraw/zinc/67/53/73/957675373.db2.gz GRDWQTCAMVWOSW-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317810868 957675383 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CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001569329084 1169768118 /nfs/dbraw/zinc/76/81/18/1169768118.db2.gz FSLDUAQIBGGFNW-HZPDHXFCSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001321112566 959596227 /nfs/dbraw/zinc/59/62/27/959596227.db2.gz SEMCNTFCMQVFJO-XFCCUVRLSA-N 2 1 291.439 1.841 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001321990945 960045721 /nfs/dbraw/zinc/04/57/21/960045721.db2.gz NHUBQGPXWPALSS-JSGCOSHPSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[C@H]1c1cncn1C ZINC001322247701 960150700 /nfs/dbraw/zinc/15/07/00/960150700.db2.gz HOBMGNUVRPAFBV-BFHYXJOUSA-N 2 1 290.411 1.536 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001323697283 960919772 /nfs/dbraw/zinc/91/97/72/960919772.db2.gz YNMSEANVLOWVCW-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001569383875 1169836006 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C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001500225549 974406204 /nfs/dbraw/zinc/40/62/04/974406204.db2.gz LYZDUSOIQWVLAW-GDBMZVCRSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001500225550 974407250 /nfs/dbraw/zinc/40/72/50/974407250.db2.gz LYZDUSOIQWVLAW-GOEBONIOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001501080391 974529559 /nfs/dbraw/zinc/52/95/59/974529559.db2.gz OGFYDGHRIZLSNY-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395316 974579172 /nfs/dbraw/zinc/57/91/72/974579172.db2.gz LYUXWUYRAHAEJB-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001506853237 975235682 /nfs/dbraw/zinc/23/56/82/975235682.db2.gz TUWJDXWJCDSEPF-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001403023233 976666184 /nfs/dbraw/zinc/66/61/84/976666184.db2.gz PLYIUJQKUMHSDX-NWDGAFQWSA-N 2 1 284.791 1.427 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399933624 976754479 /nfs/dbraw/zinc/75/44/79/976754479.db2.gz VEROVNDYEPJDHO-GFCCVEGCSA-N 2 1 273.808 1.129 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001399933624 976754488 /nfs/dbraw/zinc/75/44/88/976754488.db2.gz VEROVNDYEPJDHO-GFCCVEGCSA-N 2 1 273.808 1.129 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001382054202 977144154 /nfs/dbraw/zinc/14/41/54/977144154.db2.gz ZUHKWEWXXPQDIM-RYUDHWBXSA-N 2 1 273.808 1.270 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676273102 1174199156 /nfs/dbraw/zinc/19/91/56/1174199156.db2.gz IFQNIJPNOIVRML-JKSUJKDBSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC001677033322 1174309229 /nfs/dbraw/zinc/30/92/29/1174309229.db2.gz XETRJAYOIKICFJ-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001571003083 1170328665 /nfs/dbraw/zinc/32/86/65/1170328665.db2.gz WXZCSGBIRNNRFA-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001571297295 1170361091 /nfs/dbraw/zinc/36/10/91/1170361091.db2.gz QVYGRCSHQIAVJG-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001571624919 1170500091 /nfs/dbraw/zinc/50/00/91/1170500091.db2.gz SMSKHDBMNXYKSX-HUUCEWRRSA-N 2 1 293.455 1.613 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001656102667 1171765264 /nfs/dbraw/zinc/76/52/64/1171765264.db2.gz OLAJOQFOWYYNDH-OAHLLOKOSA-N 2 1 291.439 1.581 10 30 CDEEMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@H]([NH3+])CCCCC#N)CC[C@@H]21 ZINC000594443123 342908149 /nfs/dbraw/zinc/90/81/49/342908149.db2.gz LNJVSNAHANEZBM-KFWWJZLASA-N 2 1 292.427 1.340 10 30 CDEEMP N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000600719851 342244649 /nfs/dbraw/zinc/24/46/49/342244649.db2.gz KXNUBEIHLWUXTR-TZMCWYRMSA-N 2 1 263.385 1.115 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001660409085 1172211966 /nfs/dbraw/zinc/21/19/66/1172211966.db2.gz TZUDNEVOJLXWIM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001660409085 1172211970 /nfs/dbraw/zinc/21/19/70/1172211970.db2.gz TZUDNEVOJLXWIM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001660409085 1172211977 /nfs/dbraw/zinc/21/19/77/1172211977.db2.gz TZUDNEVOJLXWIM-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C[C@H]([NH3+])C[NH2+]C1(c2ccc(C#N)cc2)CCOCC1 ZINC000530234434 374477522 /nfs/dbraw/zinc/47/75/22/374477522.db2.gz PHOGWOQVMLNHCY-LBPRGKRZSA-N 2 1 259.353 1.501 10 30 CDEEMP C[N@@H+]1C[C@H]2CN(Cc3cn4ccccc4c3C#N)C[C@H]2C1 ZINC000193626719 375883773 /nfs/dbraw/zinc/88/37/73/375883773.db2.gz OOBLMLDZYYCBHE-OKILXGFUSA-N 2 1 280.375 1.804 10 30 CDEEMP C[C@@H](CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000575062829 335061000 /nfs/dbraw/zinc/06/10/00/335061000.db2.gz AQMZVFPRSISENV-HOTGVXAUSA-N 2 1 278.444 1.781 10 30 CDEEMP C[C@@H](CCC#N)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000575062829 335061001 /nfs/dbraw/zinc/06/10/01/335061001.db2.gz AQMZVFPRSISENV-HOTGVXAUSA-N 2 1 278.444 1.781 10 30 CDEEMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011509 391242027 /nfs/dbraw/zinc/24/20/27/391242027.db2.gz UQYTWKUJLYYZNX-OAHLLOKOSA-N 2 1 265.401 1.580 10 30 CDEEMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011509 391242031 /nfs/dbraw/zinc/24/20/31/391242031.db2.gz UQYTWKUJLYYZNX-OAHLLOKOSA-N 2 1 265.401 1.580 10 30 CDEEMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339011509 391242033 /nfs/dbraw/zinc/24/20/33/391242033.db2.gz UQYTWKUJLYYZNX-OAHLLOKOSA-N 2 1 265.401 1.580 10 30 CDEEMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339011509 391242036 /nfs/dbraw/zinc/24/20/36/391242036.db2.gz UQYTWKUJLYYZNX-OAHLLOKOSA-N 2 1 265.401 1.580 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001665309216 1172977801 /nfs/dbraw/zinc/97/78/01/1172977801.db2.gz LKUUDCCZIJRHTD-UHFFFAOYSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)CCOC ZINC000661114532 413806194 /nfs/dbraw/zinc/80/61/94/413806194.db2.gz IXKVEOMUJPGNLJ-OWCLPIDISA-N 2 1 284.444 1.650 10 30 CDEEMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)CCOC ZINC000661114532 413806202 /nfs/dbraw/zinc/80/62/02/413806202.db2.gz IXKVEOMUJPGNLJ-OWCLPIDISA-N 2 1 284.444 1.650 10 30 CDEEMP COCC[N@@H+](Cc1ccc(C#CC[NH3+])s1)C1CC1 ZINC000043683908 175091977 /nfs/dbraw/zinc/09/19/77/175091977.db2.gz LRLSDFSVLLQFMN-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CC[NH3+])s1)[C@H]1CCSC1 ZINC000043683651 175092398 /nfs/dbraw/zinc/09/23/98/175092398.db2.gz CDPZDHNHGLTOIA-NSHDSACASA-N 2 1 266.435 1.996 10 30 CDEEMP COCC[N@@H+](Cc1ccc(C#CC[NH3+])s1)[C@H](C)COC ZINC000043684201 175093002 /nfs/dbraw/zinc/09/30/02/175093002.db2.gz OCGIPJJHQBYYPW-CYBMUJFWSA-N 2 1 296.436 1.542 10 30 CDEEMP C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684117 175093276 /nfs/dbraw/zinc/09/32/76/175093276.db2.gz XIBRSZSZMNTLRE-NWDGAFQWSA-N 2 1 291.420 1.144 10 30 CDEEMP CC1(C)C[N@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688933 175095251 /nfs/dbraw/zinc/09/52/51/175095251.db2.gz RWARZKDKJNSFCZ-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP CC1(C)C[N@@H+](Cc2cc(C#CC[NH3+])cs2)CCO1 ZINC000043688933 175095253 /nfs/dbraw/zinc/09/52/53/175095253.db2.gz RWARZKDKJNSFCZ-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CCO)s1)C[C@@H]1CC[NH+](C)C1 ZINC000071190494 176066603 /nfs/dbraw/zinc/06/66/03/176066603.db2.gz OSBKLHRLDDUMFE-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCO)s1)C[C@@H]1CC[NH+](C)C1 ZINC000071190494 176066605 /nfs/dbraw/zinc/06/66/05/176066605.db2.gz OSBKLHRLDDUMFE-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)s1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190494 176066606 /nfs/dbraw/zinc/06/66/06/176066606.db2.gz OSBKLHRLDDUMFE-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)s1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190494 176066608 /nfs/dbraw/zinc/06/66/08/176066608.db2.gz OSBKLHRLDDUMFE-CYBMUJFWSA-N 2 1 278.421 1.475 10 30 CDEEMP CN(Cc1ccccc1C#CC[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190474 176066612 /nfs/dbraw/zinc/06/66/12/176066612.db2.gz JIKYKRVOAUFTLM-OAHLLOKOSA-N 2 1 271.408 1.380 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071190474 176066613 /nfs/dbraw/zinc/06/66/13/176066613.db2.gz JIKYKRVOAUFTLM-OAHLLOKOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[N@H+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071190474 176066615 /nfs/dbraw/zinc/06/66/15/176066615.db2.gz JIKYKRVOAUFTLM-OAHLLOKOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071190474 176066616 /nfs/dbraw/zinc/06/66/16/176066616.db2.gz JIKYKRVOAUFTLM-OAHLLOKOSA-N 3 1 271.408 1.380 10 30 CDEEMP C[NH+](Cc1ccccc1C#CC[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190474 176066617 /nfs/dbraw/zinc/06/66/17/176066617.db2.gz JIKYKRVOAUFTLM-OAHLLOKOSA-N 3 1 271.408 1.380 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001714157346 1178994479 /nfs/dbraw/zinc/99/44/79/1178994479.db2.gz RXERXOREKWPBTL-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001714157346 1178994482 /nfs/dbraw/zinc/99/44/82/1178994482.db2.gz RXERXOREKWPBTL-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001714157346 1178994486 /nfs/dbraw/zinc/99/44/86/1178994486.db2.gz RXERXOREKWPBTL-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715829016 1179852910 /nfs/dbraw/zinc/85/29/10/1179852910.db2.gz REQALKMPCZGZFS-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715829016 1179852921 /nfs/dbraw/zinc/85/29/21/1179852921.db2.gz REQALKMPCZGZFS-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001715829016 1179852928 /nfs/dbraw/zinc/85/29/28/1179852928.db2.gz REQALKMPCZGZFS-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001733065432 1183272960 /nfs/dbraw/zinc/27/29/60/1183272960.db2.gz IILIIWQBQLRGMR-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065432 1183272964 /nfs/dbraw/zinc/27/29/64/1183272964.db2.gz IILIIWQBQLRGMR-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065432 1183272969 /nfs/dbraw/zinc/27/29/69/1183272969.db2.gz IILIIWQBQLRGMR-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733772497 1183528998 /nfs/dbraw/zinc/52/89/98/1183528998.db2.gz DWRIVWWAVCYEKU-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)C[NH+](C)CCC)C(C)C ZINC001734554966 1183824678 /nfs/dbraw/zinc/82/46/78/1183824678.db2.gz VBIWYSLVPYHISY-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+](C)CCC)C(C)C ZINC001734554966 1183824682 /nfs/dbraw/zinc/82/46/82/1183824682.db2.gz VBIWYSLVPYHISY-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP CC1(C)C[N@H+](Cc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049609332 520479864 /nfs/dbraw/zinc/47/98/64/520479864.db2.gz HFDGIOWFKRBBGW-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP CC1(C)C[N@@H+](Cc2cccc(C#CC[NH3+])c2)CCO1 ZINC000049609332 520479872 /nfs/dbraw/zinc/47/98/72/520479872.db2.gz HFDGIOWFKRBBGW-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609585 522218460 /nfs/dbraw/zinc/21/84/60/522218460.db2.gz GWYLCCLLUYEAMW-GFCCVEGCSA-N 2 1 264.344 1.603 10 30 CDEEMP CC[C@H]1COCC[N@@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609350 523335587 /nfs/dbraw/zinc/33/55/87/523335587.db2.gz CDBDIJPJEAMDRR-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@H]1COCC[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609350 523335594 /nfs/dbraw/zinc/33/55/94/523335594.db2.gz CDBDIJPJEAMDRR-INIZCTEOSA-N 2 1 258.365 1.608 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001689978690 1175332034 /nfs/dbraw/zinc/33/20/34/1175332034.db2.gz CKDVULPZLVABJS-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001689978690 1175332038 /nfs/dbraw/zinc/33/20/38/1175332038.db2.gz CKDVULPZLVABJS-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001689978690 1175332043 /nfs/dbraw/zinc/33/20/43/1175332043.db2.gz CKDVULPZLVABJS-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000851807133 617650651 /nfs/dbraw/zinc/65/06/51/617650651.db2.gz AAPIIPVWTIMWID-OAHLLOKOSA-N 2 1 252.402 1.565 10 30 CDEEMP C#CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1CCCC1 ZINC000851807133 617650657 /nfs/dbraw/zinc/65/06/57/617650657.db2.gz AAPIIPVWTIMWID-OAHLLOKOSA-N 2 1 252.402 1.565 10 30 CDEEMP C#CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1CCCC1 ZINC000851807133 617650648 /nfs/dbraw/zinc/65/06/48/617650648.db2.gz AAPIIPVWTIMWID-OAHLLOKOSA-N 2 1 252.402 1.565 10 30 CDEEMP C#CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C1CCCC1 ZINC000851807133 617650643 /nfs/dbraw/zinc/65/06/43/617650643.db2.gz AAPIIPVWTIMWID-OAHLLOKOSA-N 2 1 252.402 1.565 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)[C@]1(C)CCCCO1 ZINC000902795118 625412420 /nfs/dbraw/zinc/41/24/20/625412420.db2.gz AIPSMKGXIPREJO-JYJNAYRXSA-N 2 1 284.444 1.793 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000901134340 623892606 /nfs/dbraw/zinc/89/26/06/623892606.db2.gz GOSRCYDNZWMJTL-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCNC(NC[C@@H]1CCC[N@@H+]1CCOC)=[NH+]C(C)(C)C ZINC000912496776 630029947 /nfs/dbraw/zinc/02/99/47/630029947.db2.gz HAILQPPQYURFQX-AWEZNQCLSA-N 2 1 296.459 1.617 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCCS1)NC[C@@H]1CCC[N@H+]1C ZINC000157380415 630596301 /nfs/dbraw/zinc/59/63/01/630596301.db2.gz GDIYLLLGPFNMBX-STQMWFEESA-N 2 1 284.473 1.531 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001266626669 1158705094 /nfs/dbraw/zinc/70/50/94/1158705094.db2.gz SKAFTWFMDHJGGQ-VGWMRTNUSA-N 2 1 289.423 1.263 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001670730465 1158753040 /nfs/dbraw/zinc/75/30/40/1158753040.db2.gz ZMKDRNFJKHUBQH-LSDHHAIUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001670730465 1158753043 /nfs/dbraw/zinc/75/30/43/1158753043.db2.gz ZMKDRNFJKHUBQH-LSDHHAIUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691410652 1159061424 /nfs/dbraw/zinc/06/14/24/1159061424.db2.gz RLFLIRCFWGXQPM-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691410652 1159061433 /nfs/dbraw/zinc/06/14/33/1159061433.db2.gz RLFLIRCFWGXQPM-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691410652 1159061442 /nfs/dbraw/zinc/06/14/42/1159061442.db2.gz RLFLIRCFWGXQPM-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001672531463 1159740621 /nfs/dbraw/zinc/74/06/21/1159740621.db2.gz VDEKAFLQXVYEFE-LSDHHAIUSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001566738488 1168404919 /nfs/dbraw/zinc/40/49/19/1168404919.db2.gz HQZVIAOIUCACQV-HOTGVXAUSA-N 2 1 295.471 1.929 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001568493549 1169326967 /nfs/dbraw/zinc/32/69/67/1169326967.db2.gz XSSXPPWORILYLQ-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001568493549 1169326973 /nfs/dbraw/zinc/32/69/73/1169326973.db2.gz XSSXPPWORILYLQ-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001568493549 1169326981 /nfs/dbraw/zinc/32/69/81/1169326981.db2.gz XSSXPPWORILYLQ-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001569449201 1169883663 /nfs/dbraw/zinc/88/36/63/1169883663.db2.gz ZFRZMLKCSWYEAT-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001569449201 1169883666 /nfs/dbraw/zinc/88/36/66/1169883666.db2.gz ZFRZMLKCSWYEAT-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001569449201 1169883667 /nfs/dbraw/zinc/88/36/67/1169883667.db2.gz ZFRZMLKCSWYEAT-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001571129442 1170338827 /nfs/dbraw/zinc/33/88/27/1170338827.db2.gz HVSHMLZHSNJNDV-FPCVCCKLSA-N 2 1 289.423 1.121 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001571129444 1170339299 /nfs/dbraw/zinc/33/92/99/1170339299.db2.gz HVSHMLZHSNJNDV-VGWMRTNUSA-N 2 1 289.423 1.121 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001663644366 1172736683 /nfs/dbraw/zinc/73/66/83/1172736683.db2.gz GHPDEIDUADBRSE-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)CCc1c[nH]cn1)C1CC1 ZINC001663726462 1172752760 /nfs/dbraw/zinc/75/27/60/1172752760.db2.gz BYAKXIUKKSBPKE-UHFFFAOYSA-N 2 1 262.357 1.109 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)CC[N@H+](C)CC)C1 ZINC001664751366 1172905325 /nfs/dbraw/zinc/90/53/25/1172905325.db2.gz YRTBIJOEWLZLHI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001664751366 1172905328 /nfs/dbraw/zinc/90/53/28/1172905328.db2.gz YRTBIJOEWLZLHI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)CC)C1 ZINC001664751366 1172905335 /nfs/dbraw/zinc/90/53/35/1172905335.db2.gz YRTBIJOEWLZLHI-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001666558345 1173152030 /nfs/dbraw/zinc/15/20/30/1173152030.db2.gz NHYZAJUMABQVPQ-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001668289184 1173392475 /nfs/dbraw/zinc/39/24/75/1173392475.db2.gz RPWWTKGNRAMMKA-HOCLYGCPSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001672531585 1173782151 /nfs/dbraw/zinc/78/21/51/1173782151.db2.gz XATBSVGWLPZCFG-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001675677999 1174137009 /nfs/dbraw/zinc/13/70/09/1174137009.db2.gz MUKWJROOHBILBQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001675677999 1174137014 /nfs/dbraw/zinc/13/70/14/1174137014.db2.gz MUKWJROOHBILBQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001675677999 1174137017 /nfs/dbraw/zinc/13/70/17/1174137017.db2.gz MUKWJROOHBILBQ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001677208650 1174334011 /nfs/dbraw/zinc/33/40/11/1174334011.db2.gz HHBHDZZTDZFNKQ-UHFFFAOYSA-N 2 1 279.428 1.130 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001690737877 1175559543 /nfs/dbraw/zinc/55/95/43/1175559543.db2.gz ACHXEQIBBBBOBL-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001691921029 1175651711 /nfs/dbraw/zinc/65/17/11/1175651711.db2.gz DIODICYDVAWROD-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001698635057 1175881007 /nfs/dbraw/zinc/88/10/07/1175881007.db2.gz WFWFHQGNTWEDNE-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP CC#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@@H+](C)C2)CCCC1 ZINC001698635950 1175881474 /nfs/dbraw/zinc/88/14/74/1175881474.db2.gz UHGREGZISBZRCR-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001698767368 1175925118 /nfs/dbraw/zinc/92/51/18/1175925118.db2.gz UNDZRJBFHLOEBZ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001699023942 1176047277 /nfs/dbraw/zinc/04/72/77/1176047277.db2.gz WGWYHUBDHMTGQK-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001699218003 1176145482 /nfs/dbraw/zinc/14/54/82/1176145482.db2.gz ZJVQYKVFQLZVAR-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001699375368 1176334831 /nfs/dbraw/zinc/33/48/31/1176334831.db2.gz VYJPGMGTYGWREK-CYBMUJFWSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001699423612 1176387450 /nfs/dbraw/zinc/38/74/50/1176387450.db2.gz YCCZCNLXNAVQMK-LSDHHAIUSA-N 2 1 281.444 1.920 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001699853181 1176657719 /nfs/dbraw/zinc/65/77/19/1176657719.db2.gz HYKDTRYICTYPRN-DOTOQJQBSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]1C ZINC001700323819 1176852152 /nfs/dbraw/zinc/85/21/52/1176852152.db2.gz NGWVJQSOGCPNLK-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001700323819 1176852157 /nfs/dbraw/zinc/85/21/57/1176852157.db2.gz NGWVJQSOGCPNLK-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC001700323819 1176852163 /nfs/dbraw/zinc/85/21/63/1176852163.db2.gz NGWVJQSOGCPNLK-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001700517235 1176991518 /nfs/dbraw/zinc/99/15/18/1176991518.db2.gz KMXUUVAYFXGUCZ-CVEARBPZSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001707078310 1177941421 /nfs/dbraw/zinc/94/14/21/1177941421.db2.gz WGOYNMCGIGUQSN-OKILXGFUSA-N 2 1 276.384 1.252 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713477717 1178594925 /nfs/dbraw/zinc/59/49/25/1178594925.db2.gz AQFRHMQXMMEVNW-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001713515405 1178617683 /nfs/dbraw/zinc/61/76/83/1178617683.db2.gz UMTWIKXZQZXWMJ-CABCVRRESA-N 2 1 288.395 1.438 10 30 CDEEMP CC#CCN1CCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001713515405 1178617687 /nfs/dbraw/zinc/61/76/87/1178617687.db2.gz UMTWIKXZQZXWMJ-CABCVRRESA-N 2 1 288.395 1.438 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001713682488 1178707695 /nfs/dbraw/zinc/70/76/95/1178707695.db2.gz BZCMAWZPZGUDLZ-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001713940441 1178868121 /nfs/dbraw/zinc/86/81/21/1178868121.db2.gz DXLIHJTVEYEJBP-SOUVJXGZSA-N 2 1 279.428 1.578 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001714109785 1178978203 /nfs/dbraw/zinc/97/82/03/1178978203.db2.gz OUTUSPUGLLSTNU-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001714109785 1178978206 /nfs/dbraw/zinc/97/82/06/1178978206.db2.gz OUTUSPUGLLSTNU-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714235568 1179038659 /nfs/dbraw/zinc/03/86/59/1179038659.db2.gz KUABUCLPPWMING-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714547056 1179202484 /nfs/dbraw/zinc/20/24/84/1179202484.db2.gz DZNOPYZUTUUZRN-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714547056 1179202489 /nfs/dbraw/zinc/20/24/89/1179202489.db2.gz DZNOPYZUTUUZRN-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001714547056 1179202495 /nfs/dbraw/zinc/20/24/95/1179202495.db2.gz 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C#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001732003268 1182720547 /nfs/dbraw/zinc/72/05/47/1182720547.db2.gz ZVVWQOMJTJOJPY-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001732101148 1182769187 /nfs/dbraw/zinc/76/91/87/1182769187.db2.gz JXYMIXLHFNWFQL-GZBFAFLISA-N 2 1 279.428 1.482 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732133172 1182794141 /nfs/dbraw/zinc/79/41/41/1182794141.db2.gz FUJSWTYSHQZRPC-UHFFFAOYSA-N 2 1 295.471 1.979 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=C)Cl ZINC001732201542 1182854002 /nfs/dbraw/zinc/85/40/02/1182854002.db2.gz LOERLPKTHDXDRH-KBPBESRZSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=C)Cl ZINC001732201542 1182854008 /nfs/dbraw/zinc/85/40/08/1182854008.db2.gz LOERLPKTHDXDRH-KBPBESRZSA-N 2 1 297.830 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001732250892 1182884371 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CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC(C)C ZINC001733042939 1183260434 /nfs/dbraw/zinc/26/04/34/1183260434.db2.gz AKWPAWXRUQKFSL-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001733228326 1183354444 /nfs/dbraw/zinc/35/44/44/1183354444.db2.gz CZTFJAVSUYAXDT-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001733263229 1183376545 /nfs/dbraw/zinc/37/65/45/1183376545.db2.gz FORXYGCLRJVREM-UHFFFAOYSA-N 2 1 262.357 1.006 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001733549379 1183463919 /nfs/dbraw/zinc/46/39/19/1183463919.db2.gz JNROYHCARHEORX-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001733772497 1183528996 /nfs/dbraw/zinc/52/89/96/1183528996.db2.gz DWRIVWWAVCYEKU-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733772497 1183528997 /nfs/dbraw/zinc/52/89/97/1183528997.db2.gz DWRIVWWAVCYEKU-HNNXBMFYSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001733942983 1183576629 /nfs/dbraw/zinc/57/66/29/1183576629.db2.gz FMZRNEAKQKWVJN-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001733942983 1183576631 /nfs/dbraw/zinc/57/66/31/1183576631.db2.gz FMZRNEAKQKWVJN-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001733942983 1183576633 /nfs/dbraw/zinc/57/66/33/1183576633.db2.gz FMZRNEAKQKWVJN-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001734060517 1183643134 /nfs/dbraw/zinc/64/31/34/1183643134.db2.gz VRGTVIIQUMASLA-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001734060517 1183643136 /nfs/dbraw/zinc/64/31/36/1183643136.db2.gz VRGTVIIQUMASLA-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001734060517 1183643138 /nfs/dbraw/zinc/64/31/38/1183643138.db2.gz VRGTVIIQUMASLA-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001734098169 1183657377 /nfs/dbraw/zinc/65/73/77/1183657377.db2.gz VEGMCFSLRCCXMK-RDJZCZTQSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001734299939 1183719585 /nfs/dbraw/zinc/71/95/85/1183719585.db2.gz GKEWAMSPSUJXGX-HZPDHXFCSA-N 2 1 293.455 1.872 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[N@H+](C)CCC)C(C)C ZINC001734554966 1183824674 /nfs/dbraw/zinc/82/46/74/1183824674.db2.gz VBIWYSLVPYHISY-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000876781060 711919576 /nfs/dbraw/zinc/91/95/76/711919576.db2.gz ITDUYFBMHPEBOP-NHCYSSNCSA-N 2 1 271.792 1.198 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000876713600 712134608 /nfs/dbraw/zinc/13/46/08/712134608.db2.gz RMHYSZUOJNVARD-QWHCGFSZSA-N 2 1 287.835 1.837 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCCC(=O)OC ZINC000303770388 712456873 /nfs/dbraw/zinc/45/68/73/712456873.db2.gz BXNRSYDTVQSGMV-ZDUSSCGKSA-N 2 1 298.431 1.108 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001569108335 1167550137 /nfs/dbraw/zinc/55/01/37/1167550137.db2.gz HLPBKBKHXNWCEP-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001569108335 1167550141 /nfs/dbraw/zinc/55/01/41/1167550141.db2.gz HLPBKBKHXNWCEP-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001569108335 1167550145 /nfs/dbraw/zinc/55/01/45/1167550145.db2.gz HLPBKBKHXNWCEP-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001567914164 1168073225 /nfs/dbraw/zinc/07/32/25/1168073225.db2.gz AADZTNNCRAUCOM-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001567914164 1168073229 /nfs/dbraw/zinc/07/32/29/1168073229.db2.gz AADZTNNCRAUCOM-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001567914164 1168073234 /nfs/dbraw/zinc/07/32/34/1168073234.db2.gz AADZTNNCRAUCOM-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001566123857 1168242090 /nfs/dbraw/zinc/24/20/90/1168242090.db2.gz YTGNDVMIYDNNAF-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001566123857 1168242098 /nfs/dbraw/zinc/24/20/98/1168242098.db2.gz YTGNDVMIYDNNAF-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001566123857 1168242105 /nfs/dbraw/zinc/24/21/05/1168242105.db2.gz YTGNDVMIYDNNAF-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC1 ZINC001566604152 1168354803 /nfs/dbraw/zinc/35/48/03/1168354803.db2.gz PUQIQUKSVGTNDI-GJZGRUSLSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001566878379 1168453537 /nfs/dbraw/zinc/45/35/37/1168453537.db2.gz ARGXTCBJGDZQQM-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001566878379 1168453539 /nfs/dbraw/zinc/45/35/39/1168453539.db2.gz ARGXTCBJGDZQQM-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001566878379 1168453540 /nfs/dbraw/zinc/45/35/40/1168453540.db2.gz ARGXTCBJGDZQQM-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001566924785 1168470734 /nfs/dbraw/zinc/47/07/34/1168470734.db2.gz UQYRVDQFLJSWKG-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001566924785 1168470739 /nfs/dbraw/zinc/47/07/39/1168470739.db2.gz UQYRVDQFLJSWKG-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567016190 1168512325 /nfs/dbraw/zinc/51/23/25/1168512325.db2.gz DPFPOGAGFCKKGM-MELADBBJSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001483680135 912652826 /nfs/dbraw/zinc/65/28/26/912652826.db2.gz VYSICSPCXNSWEW-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001483680135 912652833 /nfs/dbraw/zinc/65/28/33/912652833.db2.gz VYSICSPCXNSWEW-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001272292594 912714850 /nfs/dbraw/zinc/71/48/50/912714850.db2.gz WRCYOSAFTCSENE-HUUCEWRRSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001567291254 1168663331 /nfs/dbraw/zinc/66/33/31/1168663331.db2.gz ZNBCWQARHDDJLQ-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001567291254 1168663335 /nfs/dbraw/zinc/66/33/35/1168663335.db2.gz ZNBCWQARHDDJLQ-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001567291254 1168663341 /nfs/dbraw/zinc/66/33/41/1168663341.db2.gz ZNBCWQARHDDJLQ-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001567367988 1168715392 /nfs/dbraw/zinc/71/53/92/1168715392.db2.gz MMBWEDWKIOXRGU-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001567387225 1168722595 /nfs/dbraw/zinc/72/25/95/1168722595.db2.gz WDTXDLLNEHBOSN-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266391064 894662731 /nfs/dbraw/zinc/66/27/31/894662731.db2.gz XWKOMNMPHNOCJM-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266391064 894662736 /nfs/dbraw/zinc/66/27/36/894662736.db2.gz XWKOMNMPHNOCJM-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266391064 894662742 /nfs/dbraw/zinc/66/27/42/894662742.db2.gz XWKOMNMPHNOCJM-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439691 894907120 /nfs/dbraw/zinc/90/71/20/894907120.db2.gz UOAUFWLUAZHHMA-ZFWWWQNUSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001266793111 896057856 /nfs/dbraw/zinc/05/78/56/896057856.db2.gz HCUHOMUXRKYOKK-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888119 896283363 /nfs/dbraw/zinc/28/33/63/896283363.db2.gz BOHRQTPFXBSMQP-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001279587905 896946908 /nfs/dbraw/zinc/94/69/08/896946908.db2.gz OTSSJFOPXBPRRI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001279587905 896946921 /nfs/dbraw/zinc/94/69/21/896946921.db2.gz OTSSJFOPXBPRRI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001279587905 896946929 /nfs/dbraw/zinc/94/69/29/896946929.db2.gz OTSSJFOPXBPRRI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001267243033 897305920 /nfs/dbraw/zinc/30/59/20/897305920.db2.gz HSBDYUCMMVYDFC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001267243033 897305928 /nfs/dbraw/zinc/30/59/28/897305928.db2.gz HSBDYUCMMVYDFC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267243033 897305936 /nfs/dbraw/zinc/30/59/36/897305936.db2.gz HSBDYUCMMVYDFC-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001267257444 897358893 /nfs/dbraw/zinc/35/88/93/897358893.db2.gz WHHSYEAWNKKBKA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001267257444 897358900 /nfs/dbraw/zinc/35/89/00/897358900.db2.gz WHHSYEAWNKKBKA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267257444 897358911 /nfs/dbraw/zinc/35/89/11/897358911.db2.gz WHHSYEAWNKKBKA-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH+](CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267337632 897631638 /nfs/dbraw/zinc/63/16/38/897631638.db2.gz CPIGWAQKJBXMLV-OKILXGFUSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267337632 897631643 /nfs/dbraw/zinc/63/16/43/897631643.db2.gz CPIGWAQKJBXMLV-OKILXGFUSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CC1 ZINC001267337632 897631649 /nfs/dbraw/zinc/63/16/49/897631649.db2.gz CPIGWAQKJBXMLV-OKILXGFUSA-N 2 1 279.428 1.626 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)CCCC[NH+](C)C)C1 ZINC001267569429 898406622 /nfs/dbraw/zinc/40/66/22/898406622.db2.gz VFDUOLDPOIZBQX-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267649052 899162880 /nfs/dbraw/zinc/16/28/80/899162880.db2.gz QLUNXTFUCJLKPE-UHFFFAOYSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267649052 899162887 /nfs/dbraw/zinc/16/28/87/899162887.db2.gz QLUNXTFUCJLKPE-UHFFFAOYSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001267858041 899884420 /nfs/dbraw/zinc/88/44/20/899884420.db2.gz LIFASBJXIGHAHV-PBHICJAKSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC)C1 ZINC001267885899 899940728 /nfs/dbraw/zinc/94/07/28/899940728.db2.gz COGJNFGVBDHLCA-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC)C1 ZINC001267885899 899940741 /nfs/dbraw/zinc/94/07/41/899940741.db2.gz COGJNFGVBDHLCA-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966631 900105631 /nfs/dbraw/zinc/10/56/31/900105631.db2.gz NEWYWGDHOUMETH-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268087051 901167039 /nfs/dbraw/zinc/16/70/39/901167039.db2.gz OHUJVPYGXIQIQX-HOTGVXAUSA-N 2 1 293.455 1.709 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268258457 901686887 /nfs/dbraw/zinc/68/68/87/901686887.db2.gz BVKPGIRWCOGMIX-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001268258457 901686894 /nfs/dbraw/zinc/68/68/94/901686894.db2.gz BVKPGIRWCOGMIX-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP CCCCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+]1CC ZINC000303694560 902086109 /nfs/dbraw/zinc/08/61/09/902086109.db2.gz DAQVTUCZPMTMPR-ZDUSSCGKSA-N 2 1 254.422 1.955 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001481922793 902336927 /nfs/dbraw/zinc/33/69/27/902336927.db2.gz MDGIJWQORVUFQF-HIFRSBDPSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482134803 902691498 /nfs/dbraw/zinc/69/14/98/902691498.db2.gz FAOCHTBNVKLJNZ-KKUMJFAQSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001268666581 902923756 /nfs/dbraw/zinc/92/37/56/902923756.db2.gz YKRPIGBRJQOTNX-CYBMUJFWSA-N 2 1 276.384 1.089 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[N@H+](C)C(C)C ZINC001268988883 903307400 /nfs/dbraw/zinc/30/74/00/903307400.db2.gz VJBDMFMFGZHDBP-KBPBESRZSA-N 2 1 265.401 1.188 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001268988883 903307409 /nfs/dbraw/zinc/30/74/09/903307409.db2.gz VJBDMFMFGZHDBP-KBPBESRZSA-N 2 1 265.401 1.188 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C(C)C ZINC001268988883 903307419 /nfs/dbraw/zinc/30/74/19/903307419.db2.gz VJBDMFMFGZHDBP-KBPBESRZSA-N 2 1 265.401 1.188 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001269413472 903792364 /nfs/dbraw/zinc/79/23/64/903792364.db2.gz VOWPNKWSVSZFDQ-ZDUSSCGKSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C(C)C ZINC001270144093 904395412 /nfs/dbraw/zinc/39/54/12/904395412.db2.gz PUFQFPJPKUMMIW-AWEZNQCLSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001270921169 905447498 /nfs/dbraw/zinc/44/74/98/905447498.db2.gz FXZPJRZHIAZQMG-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001271610579 906544392 /nfs/dbraw/zinc/54/43/92/906544392.db2.gz XFRAIXCROCARSJ-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001271609494 906548311 /nfs/dbraw/zinc/54/83/11/906548311.db2.gz PKYBZXHQGYLKII-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482493648 906632607 /nfs/dbraw/zinc/63/26/07/906632607.db2.gz LQSBNEGTTGRFSA-ZFWWWQNUSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456248 906994713 /nfs/dbraw/zinc/99/47/13/906994713.db2.gz QQSRZIZAKUSMHF-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001273575489 921343142 /nfs/dbraw/zinc/34/31/42/921343142.db2.gz GCAZMJSHAOMNCT-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482628326 908079806 /nfs/dbraw/zinc/07/98/06/908079806.db2.gz NIZYAZYPLDZWNX-CQSZACIVSA-N 2 1 290.411 1.330 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482628326 908079817 /nfs/dbraw/zinc/07/98/17/908079817.db2.gz NIZYAZYPLDZWNX-CQSZACIVSA-N 2 1 290.411 1.330 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001483067498 909251099 /nfs/dbraw/zinc/25/10/99/909251099.db2.gz DUERVGMFRHSQKF-OVNWPICBSA-N 2 1 277.412 1.451 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001483368336 910995580 /nfs/dbraw/zinc/99/55/80/910995580.db2.gz PJQWIBOREQZPBS-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001483422895 911100123 /nfs/dbraw/zinc/10/01/23/911100123.db2.gz WOGJDDSTKOZWID-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001483422895 911100133 /nfs/dbraw/zinc/10/01/33/911100133.db2.gz WOGJDDSTKOZWID-LBPRGKRZSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001483484791 911178645 /nfs/dbraw/zinc/17/86/45/911178645.db2.gz TYYVOVXLODRFHX-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001484466236 915792038 /nfs/dbraw/zinc/79/20/38/915792038.db2.gz SKAUZLXGNKFJOV-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001484466236 915792048 /nfs/dbraw/zinc/79/20/48/915792048.db2.gz SKAUZLXGNKFJOV-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001484466236 915792056 /nfs/dbraw/zinc/79/20/56/915792056.db2.gz SKAUZLXGNKFJOV-LSDHHAIUSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001485064865 916444315 /nfs/dbraw/zinc/44/43/15/916444315.db2.gz BZJGFRYFOYFCRA-HNNXBMFYSA-N 2 1 293.455 1.970 10 30 CDEEMP CC[N@H+]1CC[C@@H](CNC(=[NH2+])NCCc2cccs2)C1 ZINC000303885690 935047208 /nfs/dbraw/zinc/04/72/08/935047208.db2.gz JXYHNKAOSFFKSP-LBPRGKRZSA-N 2 1 280.441 1.537 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001485059385 916457307 /nfs/dbraw/zinc/45/73/07/916457307.db2.gz GDUMHORTGSVXEY-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001485059385 916457317 /nfs/dbraw/zinc/45/73/17/916457317.db2.gz GDUMHORTGSVXEY-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001485059385 916457325 /nfs/dbraw/zinc/45/73/25/916457325.db2.gz GDUMHORTGSVXEY-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485390980 916925689 /nfs/dbraw/zinc/92/56/89/916925689.db2.gz LXFHERIEKLUUNG-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)CN(C)Cc1ccccc1 ZINC001485390980 916925653 /nfs/dbraw/zinc/92/56/53/916925653.db2.gz LXFHERIEKLUUNG-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485390980 916925665 /nfs/dbraw/zinc/92/56/65/916925665.db2.gz LXFHERIEKLUUNG-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485390980 916925670 /nfs/dbraw/zinc/92/56/70/916925670.db2.gz LXFHERIEKLUUNG-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485390980 916925681 /nfs/dbraw/zinc/92/56/81/916925681.db2.gz LXFHERIEKLUUNG-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=C(Cl)C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763333 917264553 /nfs/dbraw/zinc/26/45/53/917264553.db2.gz QLMZNKCQFRLYHF-UHFFFAOYSA-N 2 1 287.835 1.613 10 30 CDEEMP C#CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)C1 ZINC000829768712 936431033 /nfs/dbraw/zinc/43/10/33/936431033.db2.gz IWRBDYDZXCZXPM-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001273515398 919889144 /nfs/dbraw/zinc/88/91/44/919889144.db2.gz VECXZNFSKJMXPB-MRXNPFEDSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001486131502 920738117 /nfs/dbraw/zinc/73/81/17/920738117.db2.gz QDYAUPCPKZMFJC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001486128686 920757502 /nfs/dbraw/zinc/75/75/02/920757502.db2.gz KRVREXSNAWSOPB-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+]1CC=C(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001486519920 921096089 /nfs/dbraw/zinc/09/60/89/921096089.db2.gz ZCTJXYSABQUMFU-INIZCTEOSA-N 2 1 291.439 1.653 10 30 CDEEMP C=C(C)C[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001486519920 921096100 /nfs/dbraw/zinc/09/61/00/921096100.db2.gz ZCTJXYSABQUMFU-INIZCTEOSA-N 2 1 291.439 1.653 10 30 CDEEMP C=C(C)C[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001486519920 921096112 /nfs/dbraw/zinc/09/61/12/921096112.db2.gz ZCTJXYSABQUMFU-INIZCTEOSA-N 2 1 291.439 1.653 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)CCCn2cc[nH+]c2C)CCC1 ZINC001273173533 923750562 /nfs/dbraw/zinc/75/05/62/923750562.db2.gz UCVXLBIRTKYLNT-UHFFFAOYSA-N 2 1 288.395 1.233 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001568379199 1169268047 /nfs/dbraw/zinc/26/80/47/1169268047.db2.gz OKCCIDCBDFOEIF-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001491538638 936931127 /nfs/dbraw/zinc/93/11/27/936931127.db2.gz MICFINMBZWNGGV-CQSZACIVSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001488664001 926653767 /nfs/dbraw/zinc/65/37/67/926653767.db2.gz QIHABBMMLNDYFJ-STQMWFEESA-N 2 1 253.390 1.045 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001490580166 927241472 /nfs/dbraw/zinc/24/14/72/927241472.db2.gz RQVKOUMHSYQAPH-IRXDYDNUSA-N 2 1 299.418 1.503 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001490580166 927241482 /nfs/dbraw/zinc/24/14/82/927241482.db2.gz RQVKOUMHSYQAPH-IRXDYDNUSA-N 2 1 299.418 1.503 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490729809 927336923 /nfs/dbraw/zinc/33/69/23/927336923.db2.gz XUWYXPCQUJLWRP-JSGCOSHPSA-N 2 1 299.846 1.565 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001274632670 931526495 /nfs/dbraw/zinc/52/64/95/931526495.db2.gz AXJXAOXYCDPAOB-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001274632670 931526500 /nfs/dbraw/zinc/52/65/00/931526500.db2.gz AXJXAOXYCDPAOB-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001274632670 931526505 /nfs/dbraw/zinc/52/65/05/931526505.db2.gz AXJXAOXYCDPAOB-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001275115620 931668550 /nfs/dbraw/zinc/66/85/50/931668550.db2.gz PORZTWVTJSVNIN-OAHLLOKOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCn1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)nn1 ZINC000925707315 932930527 /nfs/dbraw/zinc/93/05/27/932930527.db2.gz PBZKISOFSAEYGW-NEPJUHHUSA-N 2 1 263.389 1.460 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(C)C ZINC000303974043 935048574 /nfs/dbraw/zinc/04/85/74/935048574.db2.gz HMOJHVVWFOLZBV-ZDUSSCGKSA-N 2 1 270.421 1.048 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001276587232 940389352 /nfs/dbraw/zinc/38/93/52/940389352.db2.gz YZPMLNXSGFVKIQ-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001276587232 940389354 /nfs/dbraw/zinc/38/93/54/940389354.db2.gz YZPMLNXSGFVKIQ-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001276587232 940389356 /nfs/dbraw/zinc/38/93/56/940389356.db2.gz YZPMLNXSGFVKIQ-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001276640543 940468526 /nfs/dbraw/zinc/46/85/26/940468526.db2.gz DAUXTVHVCUJARX-KBPBESRZSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001283679590 942965317 /nfs/dbraw/zinc/96/53/17/942965317.db2.gz QSFJGWJEYBIVOZ-BBRMVZONSA-N 2 1 299.434 1.821 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001265116226 944236420 /nfs/dbraw/zinc/23/64/20/944236420.db2.gz PATGZRVSMBKALJ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001265116226 944236433 /nfs/dbraw/zinc/23/64/33/944236433.db2.gz PATGZRVSMBKALJ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001265116226 944236438 /nfs/dbraw/zinc/23/64/38/944236438.db2.gz PATGZRVSMBKALJ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001265367653 944359978 /nfs/dbraw/zinc/35/99/78/944359978.db2.gz AWCZXGTWKLOGSZ-BPUTZDHNSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[N@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001266108883 944686563 /nfs/dbraw/zinc/68/65/63/944686563.db2.gz JTGJZWHEDHBIRG-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001266108883 944686567 /nfs/dbraw/zinc/68/65/67/944686567.db2.gz JTGJZWHEDHBIRG-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001569022759 1169600380 /nfs/dbraw/zinc/60/03/80/1169600380.db2.gz XNBPSHMPJNRWOF-CYBMUJFWSA-N 2 1 276.384 1.124 10 30 CDEEMP 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CC(C)[N@H+]1CCC[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001542887849 967252791 /nfs/dbraw/zinc/25/27/91/967252791.db2.gz YVOGISHTJNXJOP-CQSZACIVSA-N 2 1 292.427 1.211 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1 ZINC001528459081 968856842 /nfs/dbraw/zinc/85/68/42/968856842.db2.gz ZVNNRRKNMNNDDN-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@@H+]2C1 ZINC001528459081 968856835 /nfs/dbraw/zinc/85/68/35/968856835.db2.gz ZVNNRRKNMNNDDN-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1 ZINC001528459081 968856851 /nfs/dbraw/zinc/85/68/51/968856851.db2.gz ZVNNRRKNMNNDDN-XHSDSOJGSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001495671141 972587106 /nfs/dbraw/zinc/58/71/06/972587106.db2.gz YVFNIPLTNSJKAO-QLFBSQMISA-N 2 1 281.444 1.635 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001496144316 972812906 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C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001497500516 973368536 /nfs/dbraw/zinc/36/85/36/973368536.db2.gz HPQHBCXDFPWTTJ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001497728687 973480588 /nfs/dbraw/zinc/48/05/88/973480588.db2.gz BVNVMJWLCGMAIW-OAGJVSPASA-N 2 1 299.418 1.575 10 30 CDEEMP C[C@@H](C[NH2+]CC#Cc1ccccc1)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001498189687 973733921 /nfs/dbraw/zinc/73/39/21/973733921.db2.gz FLSBTURYMHBIBO-RDJZCZTQSA-N 2 1 299.418 1.084 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001498504664 973953304 /nfs/dbraw/zinc/95/33/04/973953304.db2.gz PASAGJVTNXRCHN-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001498659542 974014913 /nfs/dbraw/zinc/01/49/13/974014913.db2.gz ZPAXTTUCLJTILR-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001499074789 974178915 /nfs/dbraw/zinc/17/89/15/974178915.db2.gz YUDKZITYONYUOI-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001499909538 974332206 /nfs/dbraw/zinc/33/22/06/974332206.db2.gz WSWRYDZGVZFRLZ-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501091133 974531358 /nfs/dbraw/zinc/53/13/58/974531358.db2.gz LFUSTKKKDXOXBS-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501647206 974615469 /nfs/dbraw/zinc/61/54/69/974615469.db2.gz DOMJDCYEYHHXTQ-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001505518376 974899322 /nfs/dbraw/zinc/89/93/22/974899322.db2.gz HHEHMLVVRSUTDJ-LMWSTFAQSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001505920695 975044066 /nfs/dbraw/zinc/04/40/66/975044066.db2.gz RSLMMJVCVKWEAW-GDBMZVCRSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001507028624 975299944 /nfs/dbraw/zinc/29/99/44/975299944.db2.gz RUWRKNQSAMXYOU-GOEBONIOSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001507327256 975416963 /nfs/dbraw/zinc/41/69/63/975416963.db2.gz IRFKUMRYLDORFH-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001382300463 977240552 /nfs/dbraw/zinc/24/05/52/977240552.db2.gz BTUVGUKGXMPLMM-OLZOCXBDSA-N 2 1 287.835 1.658 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001570534305 1170182254 /nfs/dbraw/zinc/18/22/54/1170182254.db2.gz GTHHXLWHCIISLC-HUUCEWRRSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570747240 1170267516 /nfs/dbraw/zinc/26/75/16/1170267516.db2.gz DLVHMTDUAMOYQD-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001570747240 1170267519 /nfs/dbraw/zinc/26/75/19/1170267519.db2.gz DLVHMTDUAMOYQD-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001570747240 1170267527 /nfs/dbraw/zinc/26/75/27/1170267527.db2.gz DLVHMTDUAMOYQD-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001570751391 1170271618 /nfs/dbraw/zinc/27/16/18/1170271618.db2.gz IETKMUFMARELJX-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001570751391 1170271622 /nfs/dbraw/zinc/27/16/22/1170271622.db2.gz IETKMUFMARELJX-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001570751391 1170271627 /nfs/dbraw/zinc/27/16/27/1170271627.db2.gz IETKMUFMARELJX-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001570751391 1170271635 /nfs/dbraw/zinc/27/16/35/1170271635.db2.gz IETKMUFMARELJX-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001571519960 1170462456 /nfs/dbraw/zinc/46/24/56/1170462456.db2.gz YYBONPMOMKNQFN-CABCVRRESA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001656759433 1171873337 /nfs/dbraw/zinc/87/33/37/1171873337.db2.gz CLTXOCNAZYLONJ-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1CC ZINC001656759433 1171873343 /nfs/dbraw/zinc/87/33/43/1171873343.db2.gz CLTXOCNAZYLONJ-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1CC ZINC001656759433 1171873350 /nfs/dbraw/zinc/87/33/50/1171873350.db2.gz CLTXOCNAZYLONJ-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000594425007 342903881 /nfs/dbraw/zinc/90/38/81/342903881.db2.gz IRNDAWBEJRCEQX-CQSZACIVSA-N 2 1 286.379 1.534 10 30 CDEEMP C[C@H](CCC#N)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908211 343189073 /nfs/dbraw/zinc/18/90/73/343189073.db2.gz ZZKGXQPGFZAQGE-KGLIPLIRSA-N 2 1 253.390 1.721 10 30 CDEEMP C[C@H](CCC#N)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595908211 343189074 /nfs/dbraw/zinc/18/90/74/343189074.db2.gz ZZKGXQPGFZAQGE-KGLIPLIRSA-N 2 1 253.390 1.721 10 30 CDEEMP C=CCCC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504786 345676330 /nfs/dbraw/zinc/67/63/30/345676330.db2.gz KFPNPUMEAZZXIK-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CCCC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504786 345676331 /nfs/dbraw/zinc/67/63/31/345676331.db2.gz KFPNPUMEAZZXIK-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C[N@H+]1CC[C@]2(CCN(Cc3cnc4ccc(C#N)cn34)C2)C1 ZINC000366492889 363594656 /nfs/dbraw/zinc/59/46/56/363594656.db2.gz WLFFJNMSGKMFAH-KRWDZBQOSA-N 2 1 295.390 1.734 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001661740277 1172438576 /nfs/dbraw/zinc/43/85/76/1172438576.db2.gz YDIBTRSNMPOUKT-LSDHHAIUSA-N 2 1 281.444 1.587 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618603 375882412 /nfs/dbraw/zinc/88/24/12/375882412.db2.gz FNNFGEUIUWRWDS-OWCLPIDISA-N 2 1 271.364 1.085 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618603 375882417 /nfs/dbraw/zinc/88/24/17/375882417.db2.gz FNNFGEUIUWRWDS-OWCLPIDISA-N 2 1 271.364 1.085 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618603 375882423 /nfs/dbraw/zinc/88/24/23/375882423.db2.gz FNNFGEUIUWRWDS-OWCLPIDISA-N 2 1 271.364 1.085 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618603 375882432 /nfs/dbraw/zinc/88/24/32/375882432.db2.gz FNNFGEUIUWRWDS-OWCLPIDISA-N 2 1 271.364 1.085 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001662503871 1172555401 /nfs/dbraw/zinc/55/54/01/1172555401.db2.gz MLLRDZRPTIWLDP-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001662631289 1172572783 /nfs/dbraw/zinc/57/27/83/1172572783.db2.gz WLWMGQMPJMLUBT-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001663201338 1172654808 /nfs/dbraw/zinc/65/48/08/1172654808.db2.gz PXWQQGWCBCJTFR-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001663201338 1172654815 /nfs/dbraw/zinc/65/48/15/1172654815.db2.gz PXWQQGWCBCJTFR-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001663201338 1172654819 /nfs/dbraw/zinc/65/48/19/1172654819.db2.gz PXWQQGWCBCJTFR-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP Cc1[nH+]ccn1CC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000343949898 152366703 /nfs/dbraw/zinc/36/67/03/152366703.db2.gz KXYCRFWIMIGRDM-UHFFFAOYSA-N 2 1 280.335 1.501 10 30 CDEEMP C=CC[C@]1(C(=O)NCCCn2cc[nH+]c2C)CCC[NH2+]1 ZINC000662680043 413299308 /nfs/dbraw/zinc/29/93/08/413299308.db2.gz SKVPXPJWIYUPEP-OAHLLOKOSA-N 2 1 276.384 1.396 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662688288 413316533 /nfs/dbraw/zinc/31/65/33/413316533.db2.gz NTXMNZWAWOXYJQ-OFQRWUPVSA-N 2 1 277.412 1.428 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001664811900 1172915480 /nfs/dbraw/zinc/91/54/80/1172915480.db2.gz KEPIANLJRZVAAC-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001664811900 1172915485 /nfs/dbraw/zinc/91/54/85/1172915485.db2.gz KEPIANLJRZVAAC-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001664811900 1172915489 /nfs/dbraw/zinc/91/54/89/1172915489.db2.gz KEPIANLJRZVAAC-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662712832 413364386 /nfs/dbraw/zinc/36/43/86/413364386.db2.gz LQRBOKBBWXXTRD-WFASDCNBSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729795 413392883 /nfs/dbraw/zinc/39/28/83/413392883.db2.gz XNKISAWNGCNFPD-RDJZCZTQSA-N 2 1 293.455 1.779 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001665658952 1173033662 /nfs/dbraw/zinc/03/36/62/1173033662.db2.gz GOEQITDPCJUVTB-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP [NH3+]CC#Cc1ccsc1CN1CC[NH+](C2CC2)CC1 ZINC000043684045 175092176 /nfs/dbraw/zinc/09/21/76/175092176.db2.gz NGUQDAGZEHHFKT-UHFFFAOYSA-N 2 1 275.421 1.338 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001667508242 1173278842 /nfs/dbraw/zinc/27/88/42/1173278842.db2.gz HKCSGFBXOZDYNL-GJZGRUSLSA-N 2 1 279.428 1.082 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673391125 1173852117 /nfs/dbraw/zinc/85/21/17/1173852117.db2.gz LLHCJRIBEDPLMT-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC)CC1 ZINC001673958491 1173902594 /nfs/dbraw/zinc/90/25/94/1173902594.db2.gz CJDBFIRZPODKRU-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC)CC1 ZINC001673958491 1173902598 /nfs/dbraw/zinc/90/25/98/1173902598.db2.gz CJDBFIRZPODKRU-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001691922825 1159156159 /nfs/dbraw/zinc/15/61/59/1159156159.db2.gz SWASSFNOPUUDMW-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001691922825 1159156164 /nfs/dbraw/zinc/15/61/64/1159156164.db2.gz SWASSFNOPUUDMW-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001691922825 1159156169 /nfs/dbraw/zinc/15/61/69/1159156169.db2.gz SWASSFNOPUUDMW-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@H]1CC1(C)C ZINC000262205839 330004114 /nfs/dbraw/zinc/00/41/14/330004114.db2.gz IBVWVXFBRLXODD-KGLIPLIRSA-N 2 1 296.459 1.307 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000424297257 330336373 /nfs/dbraw/zinc/33/63/73/330336373.db2.gz QAEQSRUDKAENBD-XQLPTFJDSA-N 2 1 252.402 1.897 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001671369400 1159178078 /nfs/dbraw/zinc/17/80/78/1159178078.db2.gz WRGMRBMEJIXQNW-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001731372339 1159292878 /nfs/dbraw/zinc/29/28/78/1159292878.db2.gz LGAGFUGNWOOTSZ-QWHCGFSZSA-N 2 1 271.380 1.043 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699403408 1176368620 /nfs/dbraw/zinc/36/86/20/1176368620.db2.gz WULLQUCUBNWKFQ-KBPBESRZSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733052569 1160470610 /nfs/dbraw/zinc/47/06/10/1160470610.db2.gz DPIJLVBGHAGJFT-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001733052569 1160470617 /nfs/dbraw/zinc/47/06/17/1160470617.db2.gz DPIJLVBGHAGJFT-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001733052569 1160470623 /nfs/dbraw/zinc/47/06/23/1160470623.db2.gz DPIJLVBGHAGJFT-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001688903241 1175062881 /nfs/dbraw/zinc/06/28/81/1175062881.db2.gz AHAGRPVGCKRZFV-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001689809599 1175268812 /nfs/dbraw/zinc/26/88/12/1175268812.db2.gz AZXKEQZJPFHCCP-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001689809599 1175268817 /nfs/dbraw/zinc/26/88/17/1175268817.db2.gz AZXKEQZJPFHCCP-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001689809599 1175268822 /nfs/dbraw/zinc/26/88/22/1175268822.db2.gz AZXKEQZJPFHCCP-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941221036 613744715 /nfs/dbraw/zinc/74/47/15/613744715.db2.gz KOXIELBTAJHUMN-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C(C)(C)C1 ZINC000941221036 613744716 /nfs/dbraw/zinc/74/47/16/613744716.db2.gz KOXIELBTAJHUMN-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP N#CC1CCC(C[N@H+]2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000903458574 625994500 /nfs/dbraw/zinc/99/45/00/625994500.db2.gz DNPBGNAENUFLCX-RUXDESIVSA-N 2 1 251.374 1.366 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001691166025 1158941719 /nfs/dbraw/zinc/94/17/19/1158941719.db2.gz KOVPKYCQJXLSOR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001691166025 1158941721 /nfs/dbraw/zinc/94/17/21/1158941721.db2.gz KOVPKYCQJXLSOR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001691166025 1158941723 /nfs/dbraw/zinc/94/17/23/1158941723.db2.gz KOVPKYCQJXLSOR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP 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/nfs/dbraw/zinc/63/12/60/1175631260.db2.gz SCUHRNCGYSWOOA-SHTZXODSSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001698619251 1175875346 /nfs/dbraw/zinc/87/53/46/1175875346.db2.gz MEBBIWXOOBGKQV-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001698861618 1175968938 /nfs/dbraw/zinc/96/89/38/1175968938.db2.gz QZMQINLWYUGLBE-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001698910727 1175983450 /nfs/dbraw/zinc/98/34/50/1175983450.db2.gz ZXYSTMPQEGTNPO-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001698935096 1175988505 /nfs/dbraw/zinc/98/85/05/1175988505.db2.gz MTFLZJLDTAGGMS-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001698969026 1175999840 /nfs/dbraw/zinc/99/98/40/1175999840.db2.gz VHFQPBNQNKBAGC-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001699218002 1176145660 /nfs/dbraw/zinc/14/56/60/1176145660.db2.gz ZJVQYKVFQLZVAR-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001699283698 1176195991 /nfs/dbraw/zinc/19/59/91/1176195991.db2.gz BVAVZMWDQBOSKW-AATRIKPKSA-N 2 1 262.357 1.030 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001699663329 1176557624 /nfs/dbraw/zinc/55/76/24/1176557624.db2.gz MFXSOXOLNBZNOU-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001699666063 1176559674 /nfs/dbraw/zinc/55/96/74/1176559674.db2.gz OTPBLIRSPGWIPX-CABCVRRESA-N 2 1 289.423 1.265 10 30 CDEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090008 1176744577 /nfs/dbraw/zinc/74/45/77/1176744577.db2.gz HYQMVALQXPVSFY-KRWDZBQOSA-N 2 1 299.418 1.462 10 30 CDEEMP C#CC[NH+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001700090008 1176744585 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CDEEMP C#CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001707276955 1177989052 /nfs/dbraw/zinc/98/90/52/1177989052.db2.gz RJSMLXISCVRYKI-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001707276955 1177989056 /nfs/dbraw/zinc/98/90/56/1177989056.db2.gz RJSMLXISCVRYKI-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001707276955 1177989060 /nfs/dbraw/zinc/98/90/60/1177989060.db2.gz RJSMLXISCVRYKI-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CCC)CC1 ZINC001713098377 1178366205 /nfs/dbraw/zinc/36/62/05/1178366205.db2.gz MJASXIPEIICKAO-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713310572 1178488524 /nfs/dbraw/zinc/48/85/24/1178488524.db2.gz XJXXUTGMCUIPOO-KBPBESRZSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(CC)CC ZINC001713315873 1178493294 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30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001713740563 1178731548 /nfs/dbraw/zinc/73/15/48/1178731548.db2.gz VKHJCGFIQLLLDE-OAHLLOKOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001714119498 1178981922 /nfs/dbraw/zinc/98/19/22/1178981922.db2.gz IQAIZZCHJCJBOK-CQSZACIVSA-N 2 1 276.384 1.430 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001714583206 1179240472 /nfs/dbraw/zinc/24/04/72/1179240472.db2.gz JCBCVULCASGXAS-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001714583206 1179240477 /nfs/dbraw/zinc/24/04/77/1179240477.db2.gz JCBCVULCASGXAS-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001714583206 1179240483 /nfs/dbraw/zinc/24/04/83/1179240483.db2.gz JCBCVULCASGXAS-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[N@H+](CCC)CCNC(=O)Cn1c[nH+]cc1C ZINC001714652797 1179298318 /nfs/dbraw/zinc/29/83/18/1179298318.db2.gz BWGYLWYVLOGJHA-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)Cn1c[nH+]cc1C ZINC001714652797 1179298326 /nfs/dbraw/zinc/29/83/26/1179298326.db2.gz BWGYLWYVLOGJHA-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001714757443 1179379604 /nfs/dbraw/zinc/37/96/04/1179379604.db2.gz XZJQWMRGROUUQG-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001714945310 1179469683 /nfs/dbraw/zinc/46/96/83/1179469683.db2.gz OASVYLLHLXEJAO-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001715114003 1179557144 /nfs/dbraw/zinc/55/71/44/1179557144.db2.gz YHWYVATYJWWGCW-UNEWFSDZSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl ZINC001715653417 1179753522 /nfs/dbraw/zinc/75/35/22/1179753522.db2.gz NMUOZPBRIFSRQI-GMOCCLDISA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\Cl ZINC001715653417 1179753525 /nfs/dbraw/zinc/75/35/25/1179753525.db2.gz NMUOZPBRIFSRQI-GMOCCLDISA-N 2 1 297.830 1.321 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001716549964 1180280042 /nfs/dbraw/zinc/28/00/42/1180280042.db2.gz NONJRLUZQTUXEX-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@H]1CC ZINC001716638609 1180316853 /nfs/dbraw/zinc/31/68/53/1180316853.db2.gz CHEUKFWJZGMQRE-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716665722 1180352152 /nfs/dbraw/zinc/35/21/52/1180352152.db2.gz RYSNLEVINFPYHP-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716665722 1180352158 /nfs/dbraw/zinc/35/21/58/1180352158.db2.gz RYSNLEVINFPYHP-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001716667170 1180354031 /nfs/dbraw/zinc/35/40/31/1180354031.db2.gz VQEXOXXVPXUXBX-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001716667170 1180354039 /nfs/dbraw/zinc/35/40/39/1180354039.db2.gz VQEXOXXVPXUXBX-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001716667170 1180354045 /nfs/dbraw/zinc/35/40/45/1180354045.db2.gz VQEXOXXVPXUXBX-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716738009 1180389052 /nfs/dbraw/zinc/38/90/52/1180389052.db2.gz PKRKKYIJBITTGV-HIFRSBDPSA-N 2 1 279.428 1.578 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001716790479 1180416292 /nfs/dbraw/zinc/41/62/92/1180416292.db2.gz DGFDJKOWLOQOIM-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CCC(C)(NC(=O)[C@H](C)Cc2cnc[nH]2)CC1 ZINC001716798452 1180418573 /nfs/dbraw/zinc/41/85/73/1180418573.db2.gz UTFWVAUTTYWZMW-CYBMUJFWSA-N 2 1 290.411 1.745 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001716850839 1180440747 /nfs/dbraw/zinc/44/07/47/1180440747.db2.gz RNTPCWZJKGKMFQ-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001716850839 1180440751 /nfs/dbraw/zinc/44/07/51/1180440751.db2.gz RNTPCWZJKGKMFQ-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001716850839 1180440755 /nfs/dbraw/zinc/44/07/55/1180440755.db2.gz RNTPCWZJKGKMFQ-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001717110168 1180532552 /nfs/dbraw/zinc/53/25/52/1180532552.db2.gz BXGFPNAYSKBTMZ-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCCC1 ZINC001717117558 1180534285 /nfs/dbraw/zinc/53/42/85/1180534285.db2.gz VZHOVZLSAPWFBT-UHFFFAOYSA-N 2 1 299.418 1.464 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001717202025 1180569705 /nfs/dbraw/zinc/56/97/05/1180569705.db2.gz MVHITIOJACVYQF-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001717202025 1180569710 /nfs/dbraw/zinc/56/97/10/1180569710.db2.gz MVHITIOJACVYQF-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001717202025 1180569713 /nfs/dbraw/zinc/56/97/13/1180569713.db2.gz MVHITIOJACVYQF-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001717297751 1180609058 /nfs/dbraw/zinc/60/90/58/1180609058.db2.gz HDVBJPKKVDCMPF-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001717394504 1180646301 /nfs/dbraw/zinc/64/63/01/1180646301.db2.gz NPAHNWXSBGESGP-GPANFISMSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001717478071 1180695357 /nfs/dbraw/zinc/69/53/57/1180695357.db2.gz KXUALUREBHAOBX-CYBMUJFWSA-N 2 1 298.390 1.716 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001717530948 1180725011 /nfs/dbraw/zinc/72/50/11/1180725011.db2.gz ZRZBQKMWPHNIPV-OWCLPIDISA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001717731012 1180814574 /nfs/dbraw/zinc/81/45/74/1180814574.db2.gz HSURISHPFAZSLS-FVQBIDKESA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001717739426 1180818521 /nfs/dbraw/zinc/81/85/21/1180818521.db2.gz TUUIJCIFKAEWPU-JSGCOSHPSA-N 2 1 290.411 1.376 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001717752315 1180829271 /nfs/dbraw/zinc/82/92/71/1180829271.db2.gz LZJVZKUXJBGKRD-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001717841720 1180889660 /nfs/dbraw/zinc/88/96/60/1180889660.db2.gz URRIVVBFMDXPGQ-WBVHZDCISA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001717841720 1180889666 /nfs/dbraw/zinc/88/96/66/1180889666.db2.gz URRIVVBFMDXPGQ-WBVHZDCISA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001717841720 1180889670 /nfs/dbraw/zinc/88/96/70/1180889670.db2.gz URRIVVBFMDXPGQ-WBVHZDCISA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001717884079 1180912136 /nfs/dbraw/zinc/91/21/36/1180912136.db2.gz HAFNLUGAWIZPQC-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725128428 1181876704 /nfs/dbraw/zinc/87/67/04/1181876704.db2.gz MKKMHAOHCNDDDE-HUUCEWRRSA-N 2 1 287.407 1.234 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725128428 1181876707 /nfs/dbraw/zinc/87/67/07/1181876707.db2.gz MKKMHAOHCNDDDE-HUUCEWRRSA-N 2 1 287.407 1.234 10 30 CDEEMP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CCC)C1 ZINC001725266105 1181943893 /nfs/dbraw/zinc/94/38/93/1181943893.db2.gz GMZPTXJNWYGPKH-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001725327076 1181962462 /nfs/dbraw/zinc/96/24/62/1181962462.db2.gz KZOOHKWRCRFIFZ-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001725364859 1181976525 /nfs/dbraw/zinc/97/65/25/1181976525.db2.gz VVLGMOZNTOLMMH-HDJSIYSDSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001725421413 1181995865 /nfs/dbraw/zinc/99/58/65/1181995865.db2.gz VAUGQLDVYDIDJH-UHFFFAOYSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@@H+](C)C2CCCC2)C1 ZINC001731446498 1182391623 /nfs/dbraw/zinc/39/16/23/1182391623.db2.gz BOMDPFCIFAELLL-HDJSIYSDSA-N 2 1 291.439 1.509 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731543369 1182442871 /nfs/dbraw/zinc/44/28/71/1182442871.db2.gz KMKBEEWUNCQGSI-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001731795141 1182584256 /nfs/dbraw/zinc/58/42/56/1182584256.db2.gz BLPIIZDCZIDZGS-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001731795141 1182584262 /nfs/dbraw/zinc/58/42/62/1182584262.db2.gz BLPIIZDCZIDZGS-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732077891 1182755342 /nfs/dbraw/zinc/75/53/42/1182755342.db2.gz HNZQDSOGZNOMOF-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001732542392 1183001728 /nfs/dbraw/zinc/00/17/28/1183001728.db2.gz YUWKYVGQKLKEFX-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001732705965 1183094547 /nfs/dbraw/zinc/09/45/47/1183094547.db2.gz JJGQZTHCLDLNJG-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001732955461 1183203614 /nfs/dbraw/zinc/20/36/14/1183203614.db2.gz NOMDEYJUKDYVPT-ZIAGYGMSSA-N 2 1 290.411 1.514 10 30 CDEEMP C#CCC[NH+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733219701 1183347074 /nfs/dbraw/zinc/34/70/74/1183347074.db2.gz PQDLGMSNTQFNEQ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733219701 1183347076 /nfs/dbraw/zinc/34/70/76/1183347076.db2.gz PQDLGMSNTQFNEQ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001733219701 1183347077 /nfs/dbraw/zinc/34/70/77/1183347077.db2.gz PQDLGMSNTQFNEQ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001733938118 1183575517 /nfs/dbraw/zinc/57/55/17/1183575517.db2.gz NUKHVKCDGFVVSF-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733938118 1183575521 /nfs/dbraw/zinc/57/55/21/1183575521.db2.gz NUKHVKCDGFVVSF-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001733938118 1183575522 /nfs/dbraw/zinc/57/55/22/1183575522.db2.gz NUKHVKCDGFVVSF-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)CC1(C)C ZINC001734507873 1183803405 /nfs/dbraw/zinc/80/34/05/1183803405.db2.gz LEPFJSYQFHELPY-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000874844813 1165684583 /nfs/dbraw/zinc/68/45/83/1165684583.db2.gz TYRDHBACQPWAKR-HOTGVXAUSA-N 2 1 289.423 1.027 10 30 CDEEMP C#CCOCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950719 1166431362 /nfs/dbraw/zinc/43/13/62/1166431362.db2.gz ALHJIDNCIGLAIP-UHFFFAOYSA-N 2 1 264.413 1.977 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC001120811139 912552052 /nfs/dbraw/zinc/55/20/52/912552052.db2.gz XYGIJUKQNZSNTR-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C[NH+](C)CCC(=O)NCC[N@H+](C)CC#Cc1ccccc1 ZINC001567301788 1168667273 /nfs/dbraw/zinc/66/72/73/1168667273.db2.gz IHIMKOIFXHBFPN-UHFFFAOYSA-N 2 1 287.407 1.038 10 30 CDEEMP C[NH+](C)CCC(=O)NCC[N@@H+](C)CC#Cc1ccccc1 ZINC001567301788 1168667276 /nfs/dbraw/zinc/66/72/76/1168667276.db2.gz IHIMKOIFXHBFPN-UHFFFAOYSA-N 2 1 287.407 1.038 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001567475098 1168792329 /nfs/dbraw/zinc/79/23/29/1168792329.db2.gz BNECOCQXRKGSGT-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001266362616 894568912 /nfs/dbraw/zinc/56/89/12/894568912.db2.gz NMQSQPWSRIDTOK-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001266431075 894841118 /nfs/dbraw/zinc/84/11/18/894841118.db2.gz JTDZKJSSSHCASY-HNNXBMFYSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001266533592 895255733 /nfs/dbraw/zinc/25/57/33/895255733.db2.gz MTGXIRYONLXTQP-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001266550689 895325172 /nfs/dbraw/zinc/32/51/72/895325172.db2.gz BOCNXURCENPFDU-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP CN(C)C(=[NH+]CC[N@@H+](C)C1CCCCC1)N(C)C ZINC000261974589 896346494 /nfs/dbraw/zinc/34/64/94/896346494.db2.gz FGVSJORAKMUEIB-UHFFFAOYSA-N 2 1 254.422 1.730 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(=C)C ZINC001266947843 896412485 /nfs/dbraw/zinc/41/24/85/896412485.db2.gz BTUGRMBWPMHZFA-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(=C)C ZINC001266947843 896412493 /nfs/dbraw/zinc/41/24/93/896412493.db2.gz BTUGRMBWPMHZFA-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267070348 896686181 /nfs/dbraw/zinc/68/61/81/896686181.db2.gz LJTLTORQCRQSMT-CQSZACIVSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001267094873 896767833 /nfs/dbraw/zinc/76/78/33/896767833.db2.gz VXSDRNYXPQTOOT-GJZGRUSLSA-N 2 1 288.395 1.232 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001480975619 898419873 /nfs/dbraw/zinc/41/98/73/898419873.db2.gz XQPMMEDBYXQABV-OAHLLOKOSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001481196746 899113541 /nfs/dbraw/zinc/11/35/41/899113541.db2.gz OPAXPHVHMSZWJL-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001481196746 899113547 /nfs/dbraw/zinc/11/35/47/899113547.db2.gz OPAXPHVHMSZWJL-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001481196746 899113552 /nfs/dbraw/zinc/11/35/52/899113552.db2.gz OPAXPHVHMSZWJL-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001267691431 899289926 /nfs/dbraw/zinc/28/99/26/899289926.db2.gz YIROLPTVPKEOTQ-INIZCTEOSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267792327 899739961 /nfs/dbraw/zinc/73/99/61/899739961.db2.gz YGCMJWXFSHJRQR-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC(C)C ZINC001267805096 899774686 /nfs/dbraw/zinc/77/46/86/899774686.db2.gz DMNCTMSNQNUUPC-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CCC(C)C ZINC001267805096 899774695 /nfs/dbraw/zinc/77/46/95/899774695.db2.gz DMNCTMSNQNUUPC-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001268104867 901300726 /nfs/dbraw/zinc/30/07/26/901300726.db2.gz KHAMFFJRPRMXNY-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001279328932 902039096 /nfs/dbraw/zinc/03/90/96/902039096.db2.gz MZCRZDFNHFLSLZ-GPANFISMSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+][C@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001482025828 902483548 /nfs/dbraw/zinc/48/35/48/902483548.db2.gz NHUFMHYLQOFZBB-SHTZXODSSA-N 2 1 290.411 1.785 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001493551821 915287750 /nfs/dbraw/zinc/28/77/50/915287750.db2.gz UQLAXAFEHUZDBP-RRFJBIMHSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001269071064 903399152 /nfs/dbraw/zinc/39/91/52/903399152.db2.gz BCNXYDNBACKADU-BPLDGKMQSA-N 2 1 279.428 1.387 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269338734 903714001 /nfs/dbraw/zinc/71/40/01/903714001.db2.gz GRPUEWIBPKPBMK-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269338734 903714016 /nfs/dbraw/zinc/71/40/16/903714016.db2.gz GRPUEWIBPKPBMK-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001269737697 904075321 /nfs/dbraw/zinc/07/53/21/904075321.db2.gz LKRVOWJRCFKCKR-BZUAXINKSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCCC1 ZINC001270776938 905035209 /nfs/dbraw/zinc/03/52/09/905035209.db2.gz ISEIRRMAYXLXFM-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001270992147 905527836 /nfs/dbraw/zinc/52/78/36/905527836.db2.gz SFHRHYWYKGJTRN-HNNXBMFYSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CC[N@@H+]1CCC[C@](C)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001270991323 905532107 /nfs/dbraw/zinc/53/21/07/905532107.db2.gz NQGOIKHNPPCXJD-QGZVFWFLSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCOCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001271068891 905612657 /nfs/dbraw/zinc/61/26/57/905612657.db2.gz USZWWXOXJCKVLW-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001271676581 906588902 /nfs/dbraw/zinc/58/89/02/906588902.db2.gz JADCJSPRCKKTSC-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1c[nH+]cc1C ZINC001482493647 906632749 /nfs/dbraw/zinc/63/27/49/906632749.db2.gz LQSBNEGTTGRFSA-UKRRQHHQSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001482831831 908410308 /nfs/dbraw/zinc/41/03/08/908410308.db2.gz APQAKKJVNDBCMM-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001483448659 911131508 /nfs/dbraw/zinc/13/15/08/911131508.db2.gz XJXHNMGYEMFZLU-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001484093777 915427654 /nfs/dbraw/zinc/42/76/54/915427654.db2.gz KQWLTIXQYQPLBM-UXLLHSPISA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001484727522 916086011 /nfs/dbraw/zinc/08/60/11/916086011.db2.gz SUSWQMNUDOWDBL-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484727522 916086028 /nfs/dbraw/zinc/08/60/28/916086028.db2.gz SUSWQMNUDOWDBL-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484727522 916086045 /nfs/dbraw/zinc/08/60/45/916086045.db2.gz SUSWQMNUDOWDBL-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001485252880 916695736 /nfs/dbraw/zinc/69/57/36/916695736.db2.gz RPIQOZQGZGVTAH-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[C@@H]2C1 ZINC001485618651 917130833 /nfs/dbraw/zinc/13/08/33/917130833.db2.gz KYOYMRSVIUXQCG-QKDCVEJESA-N 2 1 293.455 1.444 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001485618651 917130841 /nfs/dbraw/zinc/13/08/41/917130841.db2.gz KYOYMRSVIUXQCG-QKDCVEJESA-N 2 1 293.455 1.444 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)[C@@H]2C1 ZINC001485618651 917130846 /nfs/dbraw/zinc/13/08/46/917130846.db2.gz KYOYMRSVIUXQCG-QKDCVEJESA-N 2 1 293.455 1.444 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001485651790 917151743 /nfs/dbraw/zinc/15/17/43/917151743.db2.gz YHASITICNBLBJT-HUUCEWRRSA-N 2 1 297.443 1.108 10 30 CDEEMP C=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001485656962 917164255 /nfs/dbraw/zinc/16/42/55/917164255.db2.gz HEKUMASHKWKJOE-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001485656962 917164268 /nfs/dbraw/zinc/16/42/68/917164268.db2.gz HEKUMASHKWKJOE-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001485656962 917164274 /nfs/dbraw/zinc/16/42/74/917164274.db2.gz HEKUMASHKWKJOE-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001485763473 917261272 /nfs/dbraw/zinc/26/12/72/917261272.db2.gz OPSVQRVQKFSZLH-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001485763473 917261283 /nfs/dbraw/zinc/26/12/83/917261283.db2.gz OPSVQRVQKFSZLH-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001485821426 918082049 /nfs/dbraw/zinc/08/20/49/918082049.db2.gz ZYQFRAWQXXJGRU-HUUCEWRRSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486392361 920976244 /nfs/dbraw/zinc/97/62/44/920976244.db2.gz ZHNHOGLYVMTOAS-KBPBESRZSA-N 2 1 279.428 1.224 10 30 CDEEMP C[C@@H]1C[N@@H+](C[C@@H](O)c2ccc(C#N)cc2)CC[C@H]1C[NH3+] ZINC000923494132 923883105 /nfs/dbraw/zinc/88/31/05/923883105.db2.gz VWLSTVOOFWIYBL-UHOFOFEASA-N 2 1 273.380 1.508 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001568450931 1169294611 /nfs/dbraw/zinc/29/46/11/1169294611.db2.gz FPTWPVMOWMTYNO-CABCVRRESA-N 2 1 279.428 1.223 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001490389510 927143670 /nfs/dbraw/zinc/14/36/70/927143670.db2.gz AMTPVBKKCPWHIJ-UHFFFAOYSA-N 2 1 289.423 1.076 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490777850 927340691 /nfs/dbraw/zinc/34/06/91/927340691.db2.gz TUHRAUXVJUBNKY-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490777850 927340704 /nfs/dbraw/zinc/34/07/04/927340704.db2.gz TUHRAUXVJUBNKY-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490777850 927340716 /nfs/dbraw/zinc/34/07/16/927340716.db2.gz TUHRAUXVJUBNKY-CVEARBPZSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(Cl)CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000853685232 928075837 /nfs/dbraw/zinc/07/58/37/928075837.db2.gz DFLABRLTCMVESU-SNVBAGLBSA-N 2 1 261.753 1.347 10 30 CDEEMP C=C(Cl)CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000853685232 928075848 /nfs/dbraw/zinc/07/58/48/928075848.db2.gz DFLABRLTCMVESU-SNVBAGLBSA-N 2 1 261.753 1.347 10 30 CDEEMP C#CC[C@@H]1CC[N@@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000862444917 929416236 /nfs/dbraw/zinc/41/62/36/929416236.db2.gz IWBGZRMEEBHYDS-OAHLLOKOSA-N 2 1 299.422 1.074 10 30 CDEEMP C#CC[C@@H]1CC[N@H+](Cc2cnc(N3CC[NH+](C)CC3)nc2)C1 ZINC000862444917 929416244 /nfs/dbraw/zinc/41/62/44/929416244.db2.gz IWBGZRMEEBHYDS-OAHLLOKOSA-N 2 1 299.422 1.074 10 30 CDEEMP CC#CC[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)CC)CC1 ZINC001275632992 931918355 /nfs/dbraw/zinc/91/83/55/931918355.db2.gz SQJBEEMSOVGUFX-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC=C ZINC001275850162 932092159 /nfs/dbraw/zinc/09/21/59/932092159.db2.gz LFDKSCCEHHFDRM-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC=C ZINC001275850162 932092162 /nfs/dbraw/zinc/09/21/62/932092162.db2.gz LFDKSCCEHHFDRM-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CCCC=C ZINC001275850162 932092168 /nfs/dbraw/zinc/09/21/68/932092168.db2.gz LFDKSCCEHHFDRM-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CCCC=C ZINC001275850162 932092171 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C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317180678 957326118 /nfs/dbraw/zinc/32/61/18/957326118.db2.gz LYXMHRVDAMBJNR-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317181637 957326793 /nfs/dbraw/zinc/32/67/93/957326793.db2.gz USLBYIJABUOPKL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317180923 957327300 /nfs/dbraw/zinc/32/73/00/957327300.db2.gz NGMXXVMWLLOACS-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001317245224 957375565 /nfs/dbraw/zinc/37/55/65/957375565.db2.gz GGGXUIASNYKHNV-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001317247459 957377745 /nfs/dbraw/zinc/37/77/45/957377745.db2.gz QAWYKXFEAMBYIP-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317348817 957433472 /nfs/dbraw/zinc/43/34/72/957433472.db2.gz CPPQGRINRCSJGK-GJZGRUSLSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CCC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@@H]12 ZINC001332120982 957440126 /nfs/dbraw/zinc/44/01/26/957440126.db2.gz WZNFEXRTZYQKLI-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@@H]12 ZINC001332120982 957440128 /nfs/dbraw/zinc/44/01/28/957440128.db2.gz WZNFEXRTZYQKLI-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001318301032 958021434 /nfs/dbraw/zinc/02/14/34/958021434.db2.gz JXSZMRCHQPYDFL-GJZGRUSLSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318481951 958124394 /nfs/dbraw/zinc/12/43/94/958124394.db2.gz CTJXYSOJCNJIHB-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001318525145 958154966 /nfs/dbraw/zinc/15/49/66/958154966.db2.gz URCAOLCUMRNDCC-GJZGRUSLSA-N 2 1 279.428 1.367 10 30 CDEEMP 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OWPXZNJZVJZYDF-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001479913053 966087650 /nfs/dbraw/zinc/08/76/50/966087650.db2.gz MMGFLRWJMQHSDZ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001569543404 1169917400 /nfs/dbraw/zinc/91/74/00/1169917400.db2.gz CTVCXTAUOBMAGC-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001496095910 972792285 /nfs/dbraw/zinc/79/22/85/972792285.db2.gz QUEXZYIERJYMOH-CHWSQXEVSA-N 2 1 287.835 1.660 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001499005169 974157714 /nfs/dbraw/zinc/15/77/14/974157714.db2.gz LOBCLDAPTLGLIW-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001499458955 974258082 /nfs/dbraw/zinc/25/80/82/974258082.db2.gz RQASHUQBQLCFQB-CYBMUJFWSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001501395318 974578884 /nfs/dbraw/zinc/57/88/84/974578884.db2.gz LYUXWUYRAHAEJB-LSDHHAIUSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001501962038 974664667 /nfs/dbraw/zinc/66/46/67/974664667.db2.gz QDGCJJDDGKIXGQ-UHFFFAOYSA-N 2 1 277.412 1.123 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001506036082 975096898 /nfs/dbraw/zinc/09/68/98/975096898.db2.gz FOAIOWFYXMNNMW-CQSZACIVSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001506061315 975104150 /nfs/dbraw/zinc/10/41/50/975104150.db2.gz SSZBOUMIYXSIDW-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001506061315 975104151 /nfs/dbraw/zinc/10/41/51/975104151.db2.gz SSZBOUMIYXSIDW-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001506061315 975104153 /nfs/dbraw/zinc/10/41/53/975104153.db2.gz SSZBOUMIYXSIDW-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001506061315 975104155 /nfs/dbraw/zinc/10/41/55/975104155.db2.gz SSZBOUMIYXSIDW-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001506158223 975117224 /nfs/dbraw/zinc/11/72/24/975117224.db2.gz FXVLCHNNKKMFCT-HUUCEWRRSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001506637921 975195247 /nfs/dbraw/zinc/19/52/47/975195247.db2.gz BYHMVUDUXGIXIM-CQSZACIVSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001507419570 975461413 /nfs/dbraw/zinc/46/14/13/975461413.db2.gz VEMJVARPJLJCEQ-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[N@@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001507862619 975554864 /nfs/dbraw/zinc/55/48/64/975554864.db2.gz ICMZYZWBNLOEDY-UHFFFAOYSA-N 2 1 278.400 1.546 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)Cn1cc[nH+]c1C)C(C)C ZINC001507862619 975554879 /nfs/dbraw/zinc/55/48/79/975554879.db2.gz ICMZYZWBNLOEDY-UHFFFAOYSA-N 2 1 278.400 1.546 10 30 CDEEMP C=CCC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001676814594 1174276833 /nfs/dbraw/zinc/27/68/33/1174276833.db2.gz IKFSCCLDYHBKJU-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001570564155 1170190622 /nfs/dbraw/zinc/19/06/22/1170190622.db2.gz ONJRXCHSOUFOFL-UYSNPLJNSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001570827424 1170290484 /nfs/dbraw/zinc/29/04/84/1170290484.db2.gz QNTZJRSLIRJIPD-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+]1C[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905503 1170316364 /nfs/dbraw/zinc/31/63/64/1170316364.db2.gz UVQFYLWMDAMQIM-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001571357731 1170383180 /nfs/dbraw/zinc/38/31/80/1170383180.db2.gz QSLRRXCMQMIIIS-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001657079964 1171923701 /nfs/dbraw/zinc/92/37/01/1171923701.db2.gz XTNRYYVOKWGHLF-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CCC ZINC001657079964 1171923708 /nfs/dbraw/zinc/92/37/08/1171923708.db2.gz XTNRYYVOKWGHLF-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592521827 342701985 /nfs/dbraw/zinc/70/19/85/342701985.db2.gz CIVNTAAIECNCKS-MRXNPFEDSA-N 2 1 297.362 1.426 10 30 CDEEMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592521827 342701986 /nfs/dbraw/zinc/70/19/86/342701986.db2.gz CIVNTAAIECNCKS-MRXNPFEDSA-N 2 1 297.362 1.426 10 30 CDEEMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437388 342905868 /nfs/dbraw/zinc/90/58/68/342905868.db2.gz BQZMJVUBGZMKCG-MGPQQGTHSA-N 2 1 280.416 1.339 10 30 CDEEMP C[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)[N@H+]1CCC[C@@H](C)C1 ZINC000594440627 342907037 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C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001661655071 1172421961 /nfs/dbraw/zinc/42/19/61/1172421961.db2.gz WZHPPQIXQZRPSK-FPCVCCKLSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CCC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000246623590 376958477 /nfs/dbraw/zinc/95/84/77/376958477.db2.gz BZFSIHJEAHOSDF-QLFBSQMISA-N 2 1 254.418 1.976 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246623590 376958488 /nfs/dbraw/zinc/95/84/88/376958488.db2.gz BZFSIHJEAHOSDF-QLFBSQMISA-N 2 1 254.418 1.976 10 30 CDEEMP C=CCC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000246623590 376958499 /nfs/dbraw/zinc/95/84/99/376958499.db2.gz BZFSIHJEAHOSDF-QLFBSQMISA-N 2 1 254.418 1.976 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000639018523 377130246 /nfs/dbraw/zinc/13/02/46/377130246.db2.gz MNKWVCZUWXNTAE-GDBMZVCRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000639018523 377130255 /nfs/dbraw/zinc/13/02/55/377130255.db2.gz MNKWVCZUWXNTAE-GDBMZVCRSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001662871957 1172605325 /nfs/dbraw/zinc/60/53/25/1172605325.db2.gz BLQUCDBAQSWSMS-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CCC)C1 ZINC001662871957 1172605328 /nfs/dbraw/zinc/60/53/28/1172605328.db2.gz BLQUCDBAQSWSMS-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000339044928 391244935 /nfs/dbraw/zinc/24/49/35/391244935.db2.gz QNTOROFKMMGVIP-HOCLYGCPSA-N 2 1 277.412 1.865 10 30 CDEEMP N#CCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339044928 391244940 /nfs/dbraw/zinc/24/49/40/391244940.db2.gz QNTOROFKMMGVIP-HOCLYGCPSA-N 2 1 277.412 1.865 10 30 CDEEMP N#CCCOCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339044928 391244943 /nfs/dbraw/zinc/24/49/43/391244943.db2.gz QNTOROFKMMGVIP-HOCLYGCPSA-N 2 1 277.412 1.865 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001663522982 1172715798 /nfs/dbraw/zinc/71/57/98/1172715798.db2.gz FXTBAIUBPUAQHL-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001663633468 1172737803 /nfs/dbraw/zinc/73/78/03/1172737803.db2.gz GHAPDVSZXNBTKM-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001663968015 1172796336 /nfs/dbraw/zinc/79/63/36/1172796336.db2.gz NBJJISCMPOLBTN-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCC[NH2+]1 ZINC000662700340 413338808 /nfs/dbraw/zinc/33/88/08/413338808.db2.gz HLXZIXQZMJZBPK-UKRRQHHQSA-N 2 1 265.401 1.143 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043684278 175093316 /nfs/dbraw/zinc/09/33/16/175093316.db2.gz BHKWJEIJURRBPS-UONOGXRCSA-N 2 1 276.405 1.812 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000043684278 175093317 /nfs/dbraw/zinc/09/33/17/175093317.db2.gz BHKWJEIJURRBPS-UONOGXRCSA-N 2 1 276.405 1.812 10 30 CDEEMP CCN1CCC([N@H+](C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689121 175096278 /nfs/dbraw/zinc/09/62/78/175096278.db2.gz XMKWRMKXLAOFNW-UHFFFAOYSA-N 2 1 291.464 1.974 10 30 CDEEMP CCN1CCC([N@@H+](C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043689121 175096280 /nfs/dbraw/zinc/09/62/80/175096280.db2.gz XMKWRMKXLAOFNW-UHFFFAOYSA-N 2 1 291.464 1.974 10 30 CDEEMP N#Cc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000044513644 175188968 /nfs/dbraw/zinc/18/89/68/175188968.db2.gz GVKPIMZTPGHLMK-UHFFFAOYSA-N 2 1 272.352 1.167 10 30 CDEEMP C=CCOc1ccc(CNC[C@@H]2C[NH2+]CCO2)cc1 ZINC000415095192 263273232 /nfs/dbraw/zinc/27/32/32/263273232.db2.gz LTOGWDLQYFJTID-HNNXBMFYSA-N 2 1 262.353 1.329 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001667492800 1173274999 /nfs/dbraw/zinc/27/49/99/1173274999.db2.gz DDNBDPQPFBZBPV-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001673434737 1173856403 /nfs/dbraw/zinc/85/64/03/1173856403.db2.gz SYSZKNFNQQPYHM-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP [NH2+]=C(NCCc1cccs1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262477231 330016407 /nfs/dbraw/zinc/01/64/07/330016407.db2.gz PYKZMUACBJUWJO-LLVKDONJSA-N 2 1 289.408 1.406 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262477971 330016413 /nfs/dbraw/zinc/01/64/13/330016413.db2.gz QPOOWELWYHQNTM-ZIAGYGMSSA-N 2 1 282.432 1.142 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263270286 330051321 /nfs/dbraw/zinc/05/13/21/330051321.db2.gz OYZOCQAENICIFY-QWHCGFSZSA-N 2 1 264.417 1.708 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001690862465 1175593703 /nfs/dbraw/zinc/59/37/03/1175593703.db2.gz FMIRKEUGPZTGSA-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528416130 333435360 /nfs/dbraw/zinc/43/53/60/333435360.db2.gz WNASWZDBRRUXDT-CQSZACIVSA-N 2 1 265.401 1.504 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001670808083 1160171020 /nfs/dbraw/zinc/17/10/20/1160171020.db2.gz VDLLKRHRYZCHOS-CABCVRRESA-N 2 1 291.439 1.818 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001482692181 1160626146 /nfs/dbraw/zinc/62/61/46/1160626146.db2.gz GNIUVBIELLDXAB-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001483175926 1160780121 /nfs/dbraw/zinc/78/01/21/1160780121.db2.gz XSQMWHBZSKBWON-NWDGAFQWSA-N 2 1 264.373 1.259 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001714993343 1179496588 /nfs/dbraw/zinc/49/65/88/1179496588.db2.gz XOWPVCUGSLSGJG-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001714993343 1179496590 /nfs/dbraw/zinc/49/65/90/1179496590.db2.gz XOWPVCUGSLSGJG-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CC ZINC001714993343 1179496592 /nfs/dbraw/zinc/49/65/92/1179496592.db2.gz XOWPVCUGSLSGJG-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001716532133 1180271662 /nfs/dbraw/zinc/27/16/62/1180271662.db2.gz BOICPGJXBLZUNG-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP CCC[N@@H+](CCO)Cc1cc(C#CC[NH3+])ccc1OC ZINC000049609658 521667099 /nfs/dbraw/zinc/66/70/99/521667099.db2.gz RGECPDBODMJMOX-UHFFFAOYSA-N 2 1 276.380 1.210 10 30 CDEEMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(C#CC[NH3+])cc1 ZINC000049609836 523506986 /nfs/dbraw/zinc/50/69/86/523506986.db2.gz NTTIABHGYVEOGJ-WMLDXEAASA-N 2 1 272.392 1.996 10 30 CDEEMP [NH3+]CC#Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CCCO ZINC000052763118 527148548 /nfs/dbraw/zinc/14/85/48/527148548.db2.gz JEKWPWBHJHDUOO-KRWDZBQOSA-N 2 1 290.382 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001689318974 1175143681 /nfs/dbraw/zinc/14/36/81/1175143681.db2.gz XFYPZQGJKGTCPP-XHSDSOJGSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001689318974 1175143689 /nfs/dbraw/zinc/14/36/89/1175143689.db2.gz XFYPZQGJKGTCPP-XHSDSOJGSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@H]1C ZINC001689318974 1175143697 /nfs/dbraw/zinc/14/36/97/1175143697.db2.gz XFYPZQGJKGTCPP-XHSDSOJGSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001689340300 1175148728 /nfs/dbraw/zinc/14/87/28/1175148728.db2.gz LITAYBRCCAMCLD-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001689340300 1175148734 /nfs/dbraw/zinc/14/87/34/1175148734.db2.gz LITAYBRCCAMCLD-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1C ZINC001689340300 1175148740 /nfs/dbraw/zinc/14/87/40/1175148740.db2.gz LITAYBRCCAMCLD-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)Cn1cc[nH+]c1C ZINC000900283839 622852998 /nfs/dbraw/zinc/85/29/98/622852998.db2.gz KODORTASLSWGDV-LBPRGKRZSA-N 2 1 278.400 1.452 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC)C1 ZINC000900431169 623047035 /nfs/dbraw/zinc/04/70/35/623047035.db2.gz YGOSOYVOTMNXAE-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000901218911 624017447 /nfs/dbraw/zinc/01/74/47/624017447.db2.gz OZNGVJNULJKELN-MRXNPFEDSA-N 2 1 287.407 1.797 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000901218911 624017453 /nfs/dbraw/zinc/01/74/53/624017453.db2.gz OZNGVJNULJKELN-MRXNPFEDSA-N 2 1 287.407 1.797 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000903453609 626001132 /nfs/dbraw/zinc/00/11/32/626001132.db2.gz DKWADOKWEUNSAT-QGZVFWFLSA-N 2 1 298.434 1.655 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769353 626086177 /nfs/dbraw/zinc/08/61/77/626086177.db2.gz DKASZMSUALKBMB-KFWWJZLASA-N 2 1 250.386 1.653 10 30 CDEEMP 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277.412 1.027 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700203924 1176797842 /nfs/dbraw/zinc/79/78/42/1176797842.db2.gz WCGAYDGIMRFNRU-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001700484216 1176976551 /nfs/dbraw/zinc/97/65/51/1176976551.db2.gz YMCYXWBBFXGRIY-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001700484216 1176976555 /nfs/dbraw/zinc/97/65/55/1176976555.db2.gz YMCYXWBBFXGRIY-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001700484216 1176976560 /nfs/dbraw/zinc/97/65/60/1176976560.db2.gz YMCYXWBBFXGRIY-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001700489122 1176978765 /nfs/dbraw/zinc/97/87/65/1176978765.db2.gz NANUTVMMEHOEOB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001700488540 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CDEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001701058947 1177260356 /nfs/dbraw/zinc/26/03/56/1177260356.db2.gz NNAWNYUELCNUQR-INIZCTEOSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001701058947 1177260362 /nfs/dbraw/zinc/26/03/62/1177260362.db2.gz NNAWNYUELCNUQR-INIZCTEOSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CCC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001701058948 1177261246 /nfs/dbraw/zinc/26/12/46/1177261246.db2.gz NNAWNYUELCNUQR-MRXNPFEDSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CCC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001701058948 1177261252 /nfs/dbraw/zinc/26/12/52/1177261252.db2.gz NNAWNYUELCNUQR-MRXNPFEDSA-N 2 1 289.423 1.100 10 30 CDEEMP C#CCC[N@@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001701058948 1177261260 /nfs/dbraw/zinc/26/12/60/1177261260.db2.gz NNAWNYUELCNUQR-MRXNPFEDSA-N 2 1 289.423 1.100 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001713084392 1178354837 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CDEEMP C#CCC[N@H+]1CC[C@@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001734439879 1183779046 /nfs/dbraw/zinc/77/90/46/1183779046.db2.gz MDDGZJNBYDTOCX-UXLLHSPISA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)CC[NH+]1CC[C@@H](F)C1 ZINC001626754760 1165955765 /nfs/dbraw/zinc/95/57/65/1165955765.db2.gz MPUNFEKBWFVYTO-CQSZACIVSA-N 2 1 285.407 1.387 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)CC[N@@H+]1CC[C@@H](F)C1 ZINC001626754760 1165955770 /nfs/dbraw/zinc/95/57/70/1165955770.db2.gz MPUNFEKBWFVYTO-CQSZACIVSA-N 2 1 285.407 1.387 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)CC[N@H+]1CC[C@@H](F)C1 ZINC001626754760 1165955775 /nfs/dbraw/zinc/95/57/75/1165955775.db2.gz MPUNFEKBWFVYTO-CQSZACIVSA-N 2 1 285.407 1.387 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001566668569 1168380196 /nfs/dbraw/zinc/38/01/96/1168380196.db2.gz RCFQIAOWGJJDCI-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001566668569 1168380200 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CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001494828281 972318023 /nfs/dbraw/zinc/31/80/23/972318023.db2.gz CMCQUBOTLKGPIY-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001494828281 972318026 /nfs/dbraw/zinc/31/80/26/972318026.db2.gz CMCQUBOTLKGPIY-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001494828281 972318030 /nfs/dbraw/zinc/31/80/30/972318030.db2.gz CMCQUBOTLKGPIY-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318406011 958092244 /nfs/dbraw/zinc/09/22/44/958092244.db2.gz BSUDTDYMFDWSHG-OAHLLOKOSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001318406011 958092256 /nfs/dbraw/zinc/09/22/56/958092256.db2.gz BSUDTDYMFDWSHG-OAHLLOKOSA-N 2 1 277.412 1.027 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318406011 958092269 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10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC001544454098 967361333 /nfs/dbraw/zinc/36/13/33/967361333.db2.gz ASPVZKIBDMAKBA-ZIAGYGMSSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001480624785 970081659 /nfs/dbraw/zinc/08/16/59/970081659.db2.gz UYKZHZJNWKAIGB-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001569638812 1169948643 /nfs/dbraw/zinc/94/86/43/1169948643.db2.gz HUSOPYYDHHBOHT-DZGCQCFKSA-N 2 1 285.407 1.433 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001496452976 972928375 /nfs/dbraw/zinc/92/83/75/972928375.db2.gz WSNXXCGYFGQPPZ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001498504661 973952781 /nfs/dbraw/zinc/95/27/81/973952781.db2.gz PASAGJVTNXRCHN-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)CCCn1cc[nH+]c1C ZINC001499082301 974180936 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C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507026233 975298944 /nfs/dbraw/zinc/29/89/44/975298944.db2.gz ARUOXRUFRJMBMI-UKRRQHHQSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001507329561 975418954 /nfs/dbraw/zinc/41/89/54/975418954.db2.gz WAFCHPNEFXZRBL-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001388686536 975551702 /nfs/dbraw/zinc/55/17/02/975551702.db2.gz QXEXSLBJZLRJFJ-BETUJISGSA-N 2 1 296.802 1.428 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)C1)C(C)C ZINC001507863151 975552955 /nfs/dbraw/zinc/55/29/55/975552955.db2.gz PCKNUROODSTDMO-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC001507863151 975552963 /nfs/dbraw/zinc/55/29/63/975552963.db2.gz PCKNUROODSTDMO-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001507863151 975552974 /nfs/dbraw/zinc/55/29/74/975552974.db2.gz PCKNUROODSTDMO-HNNXBMFYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001379250384 975729536 /nfs/dbraw/zinc/72/95/36/975729536.db2.gz ROWPAIVODIGFGY-QWHCGFSZSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001392065101 977211389 /nfs/dbraw/zinc/21/13/89/977211389.db2.gz OLQZTXZVXSXDCV-JHJVBQTASA-N 2 1 287.835 1.516 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001571322345 1170365029 /nfs/dbraw/zinc/36/50/29/1170365029.db2.gz ODLXXNIKEWTIKB-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001571348711 1170377957 /nfs/dbraw/zinc/37/79/57/1170377957.db2.gz MTUAONOORWQAGX-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001571348711 1170377966 /nfs/dbraw/zinc/37/79/66/1170377966.db2.gz MTUAONOORWQAGX-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001656763635 1171874264 /nfs/dbraw/zinc/87/42/64/1171874264.db2.gz JJMMVDMIZYHDKH-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CC[C@@H](C#N)C1)CCO2 ZINC000592184283 342679740 /nfs/dbraw/zinc/67/97/40/342679740.db2.gz IHTAEDMDVSEGLJ-KGLIPLIRSA-N 2 1 263.385 1.475 10 30 CDEEMP Cc1[nH+]ccn1CCCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437779 342905814 /nfs/dbraw/zinc/90/58/14/342905814.db2.gz FJPXHOJHUOJZLZ-CQSZACIVSA-N 2 1 291.399 1.499 10 30 CDEEMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594439247 342906548 /nfs/dbraw/zinc/90/65/48/342906548.db2.gz UMHGTAMISBUNAV-MGPQQGTHSA-N 2 1 278.400 1.093 10 30 CDEEMP C[N@H+]1CCC[C@@H](CNCc2cnc3ccc(C#N)cn23)C1 ZINC000123696555 347659693 /nfs/dbraw/zinc/65/96/93/347659693.db2.gz XWOYZSRLUQOUNF-AWEZNQCLSA-N 2 1 283.379 1.637 10 30 CDEEMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc3ccc(C#N)cn23)C1 ZINC000123696555 347659695 /nfs/dbraw/zinc/65/96/95/347659695.db2.gz XWOYZSRLUQOUNF-AWEZNQCLSA-N 2 1 283.379 1.637 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001660476877 1172218136 /nfs/dbraw/zinc/21/81/36/1172218136.db2.gz ZOVBFXLSPAEQOW-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCNC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759610 364821086 /nfs/dbraw/zinc/82/10/86/364821086.db2.gz DNPWIYZUDXVGMC-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001662138329 1172486657 /nfs/dbraw/zinc/48/66/57/1172486657.db2.gz HCFOVRLXFKOKBG-QQFBHYJXSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001664443093 1172854688 /nfs/dbraw/zinc/85/46/88/1172854688.db2.gz RNQPSIYAUOVZEE-AWEZNQCLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000662672438 413289233 /nfs/dbraw/zinc/28/92/33/413289233.db2.gz ASZRZXLCRWYIOV-HNNXBMFYSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001664836209 1172918541 /nfs/dbraw/zinc/91/85/41/1172918541.db2.gz QPWMHBHLAPUUST-HZPDHXFCSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[NH+]1CCC(N[C@H](C)C[NH+](CC)CC)CC1 ZINC000045692946 175382592 /nfs/dbraw/zinc/38/25/92/175382592.db2.gz DTKASKVVAZAZDL-CQSZACIVSA-N 2 1 251.418 1.404 10 30 CDEEMP C[N@H+](Cc1cccc(C#CCO)c1)C[C@H]1CC[NH+](C)C1 ZINC000071190503 176066283 /nfs/dbraw/zinc/06/62/83/176066283.db2.gz WHXBKRUGYKTAMF-KRWDZBQOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1cccc(C#CCO)c1)C[C@H]1CC[N@H+](C)C1 ZINC000071190503 176066284 /nfs/dbraw/zinc/06/62/84/176066284.db2.gz WHXBKRUGYKTAMF-KRWDZBQOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1cccc(C#CCO)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190503 176066285 /nfs/dbraw/zinc/06/62/85/176066285.db2.gz WHXBKRUGYKTAMF-KRWDZBQOSA-N 2 1 272.392 1.414 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001666355453 1173129845 /nfs/dbraw/zinc/12/98/45/1173129845.db2.gz KRDPOQCCUXVJCJ-HNNXBMFYSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001667520011 1173279841 /nfs/dbraw/zinc/27/98/41/1173279841.db2.gz RWZFSQJZTGQCHC-AWEZNQCLSA-N 2 1 278.400 1.498 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668904286 1173478301 /nfs/dbraw/zinc/47/83/01/1173478301.db2.gz ALTPIBWIFZCMDI-KJPDOMRESA-N 2 1 293.455 1.945 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001672319906 1173764816 /nfs/dbraw/zinc/76/48/16/1173764816.db2.gz BKXVMXGPQMXKKW-KBPBESRZSA-N 2 1 267.417 1.198 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001673492179 1173864710 /nfs/dbraw/zinc/86/47/10/1173864710.db2.gz ZENNKYVOELFWNJ-HZPDHXFCSA-N 2 1 293.455 1.663 10 30 CDEEMP C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262759747 330029594 /nfs/dbraw/zinc/02/95/94/330029594.db2.gz IHPYWFAQZBNHLE-ZYHUDNBSSA-N 2 1 250.390 1.187 10 30 CDEEMP C[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262759747 330029595 /nfs/dbraw/zinc/02/95/95/330029595.db2.gz IHPYWFAQZBNHLE-ZYHUDNBSSA-N 2 1 250.390 1.187 10 30 CDEEMP C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262759746 330029772 /nfs/dbraw/zinc/02/97/72/330029772.db2.gz IHPYWFAQZBNHLE-PWSUYJOCSA-N 2 1 250.390 1.187 10 30 CDEEMP C[NH+]=C(N[C@H]1CC1(C)C)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262759746 330029774 /nfs/dbraw/zinc/02/97/74/330029774.db2.gz IHPYWFAQZBNHLE-PWSUYJOCSA-N 2 1 250.390 1.187 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H](CC)Cn2cncn2)CC1 ZINC000438831759 330729598 /nfs/dbraw/zinc/72/95/98/330729598.db2.gz AKNYHKPPKDARJC-CQSZACIVSA-N 2 1 277.416 1.687 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001698588469 1175859719 /nfs/dbraw/zinc/85/97/19/1175859719.db2.gz PTYDHVYYGLRGPI-ZIAGYGMSSA-N 2 1 267.417 1.435 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001670793824 1159856302 /nfs/dbraw/zinc/85/63/02/1159856302.db2.gz XNUNNULPRRGFLU-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317546175 1160825404 /nfs/dbraw/zinc/82/54/04/1160825404.db2.gz OFXGVDDVNJPUDZ-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001483320225 1160900496 /nfs/dbraw/zinc/90/04/96/1160900496.db2.gz SNGZLNLUMZTHBC-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001483320225 1160900499 /nfs/dbraw/zinc/90/04/99/1160900499.db2.gz SNGZLNLUMZTHBC-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001483320225 1160900502 /nfs/dbraw/zinc/90/05/02/1160900502.db2.gz SNGZLNLUMZTHBC-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483580997 1160950104 /nfs/dbraw/zinc/95/01/04/1160950104.db2.gz WQHSMEIUXWIFPT-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001716482857 1180244349 /nfs/dbraw/zinc/24/43/49/1180244349.db2.gz SGVXSKWGGNCRJN-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001716482857 1180244355 /nfs/dbraw/zinc/24/43/55/1180244355.db2.gz SGVXSKWGGNCRJN-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001716482857 1180244362 /nfs/dbraw/zinc/24/43/62/1180244362.db2.gz SGVXSKWGGNCRJN-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725183592 1181910810 /nfs/dbraw/zinc/91/08/10/1181910810.db2.gz WCGXNMLDRQQPBQ-CQSZACIVSA-N 2 1 283.460 1.977 10 30 CDEEMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(C#N)ccn1 ZINC000902897855 625557747 /nfs/dbraw/zinc/55/77/47/625557747.db2.gz VUUOEJRJOZZHHY-LBPRGKRZSA-N 2 1 256.353 1.866 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000900241434 622822652 /nfs/dbraw/zinc/82/26/52/622822652.db2.gz STAHBPIRNSNQOQ-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903914763 626133986 /nfs/dbraw/zinc/13/39/86/626133986.db2.gz VWNYLXPDTUAXFD-GDBMZVCRSA-N 2 1 276.428 1.886 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000907764724 627822808 /nfs/dbraw/zinc/82/28/08/627822808.db2.gz ZZMBJAAVLGMLRI-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP CC[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC[C@@H]1CCCS1 ZINC000157380568 630596212 /nfs/dbraw/zinc/59/62/12/630596212.db2.gz GDIYLLLGPFNMBX-OLZOCXBDSA-N 2 1 284.473 1.531 10 30 CDEEMP C#CC[NH+]1CCC(NC(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000916164952 631930676 /nfs/dbraw/zinc/93/06/76/631930676.db2.gz LGSSZUBGRMUIGW-UHFFFAOYSA-N 2 1 294.443 1.114 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C(C)C)C1 ZINC000876734045 679450862 /nfs/dbraw/zinc/45/08/62/679450862.db2.gz NXZIQSAQFPOIJK-VXGBXAGGSA-N 2 1 273.808 1.303 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852862561 677812928 /nfs/dbraw/zinc/81/29/28/677812928.db2.gz BIXPUEHGCGRTML-INIZCTEOSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000876774603 677813646 /nfs/dbraw/zinc/81/36/46/677813646.db2.gz AWZZBSPAOFLNGD-ZIAGYGMSSA-N 2 1 299.846 1.647 10 30 CDEEMP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000819304066 677889317 /nfs/dbraw/zinc/88/93/17/677889317.db2.gz BUJSVDMLRAIKPT-WMZOPIPTSA-N 2 1 286.419 1.666 10 30 CDEEMP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000819304066 677889322 /nfs/dbraw/zinc/88/93/22/677889322.db2.gz BUJSVDMLRAIKPT-WMZOPIPTSA-N 2 1 286.419 1.666 10 30 CDEEMP CCNC(NC[C@H]1CCCC[N@H+]1C1CC1)=[NH+]CC ZINC000849023112 678073555 /nfs/dbraw/zinc/07/35/55/678073555.db2.gz MYVNKUSFVWXQHX-CYBMUJFWSA-N 2 1 252.406 1.578 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)C#CC2CC[NH2+]CC2)C[C@@H]1C ZINC000852870406 678331541 /nfs/dbraw/zinc/33/15/41/678331541.db2.gz NPBCNNZZAGZGLP-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261624142 678383442 /nfs/dbraw/zinc/38/34/42/678383442.db2.gz CAWHBUFYPMAVKH-YNEHKIRRSA-N 2 1 282.432 1.059 10 30 CDEEMP C=CC[C@@H](C(=O)OC)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000878311491 678439831 /nfs/dbraw/zinc/43/98/31/678439831.db2.gz NEJQOSLESHQIMR-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[C@@H](C(=O)OC)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000878311491 678439834 /nfs/dbraw/zinc/43/98/34/678439834.db2.gz NEJQOSLESHQIMR-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C#CCC1([NH2+]C[C@H](O)C[N@@H+](C)CCOC)CCCCC1 ZINC000933266029 678509021 /nfs/dbraw/zinc/50/90/21/678509021.db2.gz ONJGWZRZEDNJPQ-HNNXBMFYSA-N 2 1 282.428 1.241 10 30 CDEEMP C#CCC1([NH2+]C[C@H](O)C[N@H+](C)CCOC)CCCCC1 ZINC000933266029 678509024 /nfs/dbraw/zinc/50/90/24/678509024.db2.gz ONJGWZRZEDNJPQ-HNNXBMFYSA-N 2 1 282.428 1.241 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000876772506 678572701 /nfs/dbraw/zinc/57/27/01/678572701.db2.gz OKIIAXVESUJSPS-DRZSPHRISA-N 2 1 287.835 1.645 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260556 678584485 /nfs/dbraw/zinc/58/44/85/678584485.db2.gz QCRLJFQFMDXLQH-HIFRSBDPSA-N 2 1 261.369 1.529 10 30 CDEEMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[N@H+]1CCCC[C@H]1C ZINC000852859334 679021529 /nfs/dbraw/zinc/02/15/29/679021529.db2.gz SARHSNXAXIKYOK-CABCVRRESA-N 2 1 291.439 1.369 10 30 CDEEMP C[C@]12C[NH2+]C[C@H]1C[N@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000703566830 679110884 /nfs/dbraw/zinc/11/08/84/679110884.db2.gz OWKBKWBPQZDLRF-ARFHVFGLSA-N 2 1 271.364 1.133 10 30 CDEEMP C[C@]12C[NH2+]C[C@H]1C[N@@H+](C[C@@H](O)c1ccc(C#N)cc1)C2 ZINC000703566830 679110891 /nfs/dbraw/zinc/11/08/91/679110891.db2.gz OWKBKWBPQZDLRF-ARFHVFGLSA-N 2 1 271.364 1.133 10 30 CDEEMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315440 679371264 /nfs/dbraw/zinc/37/12/64/679371264.db2.gz MHWIDZSIQQFVQY-ZBFHGGJFSA-N 2 1 277.412 1.459 10 30 CDEEMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315440 679371267 /nfs/dbraw/zinc/37/12/67/679371267.db2.gz MHWIDZSIQQFVQY-ZBFHGGJFSA-N 2 1 277.412 1.459 10 30 CDEEMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)CC3(C#N)CC3)C2)C1 ZINC000859315440 679371268 /nfs/dbraw/zinc/37/12/68/679371268.db2.gz MHWIDZSIQQFVQY-ZBFHGGJFSA-N 2 1 277.412 1.459 10 30 CDEEMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000879581445 679496278 /nfs/dbraw/zinc/49/62/78/679496278.db2.gz ZTOKKJSRYHPINU-MCIONIFRSA-N 2 1 263.385 1.067 10 30 CDEEMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000879581445 679496279 /nfs/dbraw/zinc/49/62/79/679496279.db2.gz ZTOKKJSRYHPINU-MCIONIFRSA-N 2 1 263.385 1.067 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CC3)CC[C@@H]21 ZINC000879581445 679496280 /nfs/dbraw/zinc/49/62/80/679496280.db2.gz ZTOKKJSRYHPINU-MCIONIFRSA-N 2 1 263.385 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CDEEMP C#CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001698709097 1175900285 /nfs/dbraw/zinc/90/02/85/1175900285.db2.gz ANBANSFPRUCZCI-BZUAXINKSA-N 2 1 291.439 1.511 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001698935097 1175988020 /nfs/dbraw/zinc/98/80/20/1175988020.db2.gz MTFLZJLDTAGGMS-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001698988581 1176018149 /nfs/dbraw/zinc/01/81/49/1176018149.db2.gz HRPLQZGJZDZZMW-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698988581 1176018161 /nfs/dbraw/zinc/01/81/61/1176018161.db2.gz HRPLQZGJZDZZMW-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001698988581 1176018169 /nfs/dbraw/zinc/01/81/69/1176018169.db2.gz HRPLQZGJZDZZMW-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001707050590 1177924704 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CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001714883657 1179437452 /nfs/dbraw/zinc/43/74/52/1179437452.db2.gz DBLKMJYATRRXDU-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001714905916 1179447025 /nfs/dbraw/zinc/44/70/25/1179447025.db2.gz BCFBYRDZARICRJ-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714905916 1179447028 /nfs/dbraw/zinc/44/70/28/1179447028.db2.gz BCFBYRDZARICRJ-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001714905916 1179447030 /nfs/dbraw/zinc/44/70/30/1179447030.db2.gz BCFBYRDZARICRJ-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC=C)C1 ZINC001714967485 1179483069 /nfs/dbraw/zinc/48/30/69/1179483069.db2.gz SQNNMVBGZVUHAN-INIZCTEOSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCC=C)C1 ZINC001714967485 1179483075 /nfs/dbraw/zinc/48/30/75/1179483075.db2.gz SQNNMVBGZVUHAN-INIZCTEOSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001715161495 1179566903 /nfs/dbraw/zinc/56/69/03/1179566903.db2.gz ZRPATKLYELDJSP-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H](C)F ZINC001715826052 1179849861 /nfs/dbraw/zinc/84/98/61/1179849861.db2.gz ILNHJLJWFQOASQ-WFVIONGDSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC[C@H](C)F ZINC001715826052 1179849870 /nfs/dbraw/zinc/84/98/70/1179849870.db2.gz ILNHJLJWFQOASQ-WFVIONGDSA-N 2 1 295.402 1.094 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001716440765 1180211927 /nfs/dbraw/zinc/21/19/27/1180211927.db2.gz RBJJFYMBOCPZAU-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001716466171 1180225398 /nfs/dbraw/zinc/22/53/98/1180225398.db2.gz VKLKMXXNAPUHOL-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001716465802 1180226101 /nfs/dbraw/zinc/22/61/01/1180226101.db2.gz KRZRUCMVBUSYPM-HOCLYGCPSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001717084176 1180527314 /nfs/dbraw/zinc/52/73/14/1180527314.db2.gz JPCQPLKLZIMQNK-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001717376714 1180638024 /nfs/dbraw/zinc/63/80/24/1180638024.db2.gz WTMJGQVWENGMSU-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001717376714 1180638029 /nfs/dbraw/zinc/63/80/29/1180638029.db2.gz WTMJGQVWENGMSU-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001717376714 1180638032 /nfs/dbraw/zinc/63/80/32/1180638032.db2.gz WTMJGQVWENGMSU-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001717420256 1180663368 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C#CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001723297723 1181533147 /nfs/dbraw/zinc/53/31/47/1181533147.db2.gz KUPKZQIXGAIMJI-HZPDHXFCSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001724658353 1181716762 /nfs/dbraw/zinc/71/67/62/1181716762.db2.gz WDBYVSCTVYQLBZ-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001724658353 1181716770 /nfs/dbraw/zinc/71/67/70/1181716770.db2.gz WDBYVSCTVYQLBZ-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001724658353 1181716778 /nfs/dbraw/zinc/71/67/78/1181716778.db2.gz WDBYVSCTVYQLBZ-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725183592 1181910809 /nfs/dbraw/zinc/91/08/09/1181910809.db2.gz WCGXNMLDRQQPBQ-CQSZACIVSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725183592 1181910804 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10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001725637012 1182081530 /nfs/dbraw/zinc/08/15/30/1182081530.db2.gz UQQXMOHMIRMRMC-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001731239773 1182268784 /nfs/dbraw/zinc/26/87/84/1182268784.db2.gz AZKLHRFQRFAEAG-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001731333310 1182325673 /nfs/dbraw/zinc/32/56/73/1182325673.db2.gz IXXPBTCPTYLGLO-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001731333310 1182325679 /nfs/dbraw/zinc/32/56/79/1182325679.db2.gz IXXPBTCPTYLGLO-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001731333310 1182325685 /nfs/dbraw/zinc/32/56/85/1182325685.db2.gz IXXPBTCPTYLGLO-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C1CC[NH+](C)CC1)C1CC1 ZINC001731339291 1182327397 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C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001734020724 1183616443 /nfs/dbraw/zinc/61/64/43/1183616443.db2.gz TYWOUKOXYCRGTJ-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001734023746 1183616863 /nfs/dbraw/zinc/61/68/63/1183616863.db2.gz NZAVGHODBQYDNU-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C#CCC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CCC)C(C)(C)C1 ZINC001734153713 1183676989 /nfs/dbraw/zinc/67/69/89/1183676989.db2.gz JUPFUSHGYZBMDZ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001734153713 1183676990 /nfs/dbraw/zinc/67/69/90/1183676990.db2.gz JUPFUSHGYZBMDZ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)C1 ZINC001734153713 1183676992 /nfs/dbraw/zinc/67/69/92/1183676992.db2.gz JUPFUSHGYZBMDZ-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2cnc[nH]2)C1 ZINC001734215126 1183693491 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CDEEMP C#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001566497901 1168309881 /nfs/dbraw/zinc/30/98/81/1168309881.db2.gz LLQNQAOHNPREEN-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001566497901 1168309886 /nfs/dbraw/zinc/30/98/86/1168309886.db2.gz LLQNQAOHNPREEN-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001566497901 1168309889 /nfs/dbraw/zinc/30/98/89/1168309889.db2.gz LLQNQAOHNPREEN-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001566703874 1168392356 /nfs/dbraw/zinc/39/23/56/1168392356.db2.gz DAVOQDRNCVIOSU-KGLIPLIRSA-N 2 1 265.401 1.141 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567097303 1168559805 /nfs/dbraw/zinc/55/98/05/1168559805.db2.gz YLFUVKYZQHSSPF-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001567177226 1168605325 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C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001267281284 897456926 /nfs/dbraw/zinc/45/69/26/897456926.db2.gz ZCUPWHWPBYJSAW-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001267281284 897456933 /nfs/dbraw/zinc/45/69/33/897456933.db2.gz ZCUPWHWPBYJSAW-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001267281284 897456938 /nfs/dbraw/zinc/45/69/38/897456938.db2.gz ZCUPWHWPBYJSAW-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267303303 897530409 /nfs/dbraw/zinc/53/04/09/897530409.db2.gz LOQMCDLSZROADN-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001267303303 897530416 /nfs/dbraw/zinc/53/04/16/897530416.db2.gz LOQMCDLSZROADN-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001480934107 897677487 /nfs/dbraw/zinc/67/74/87/897677487.db2.gz AUITXAZOROFLNV-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001480934107 897677494 /nfs/dbraw/zinc/67/74/94/897677494.db2.gz AUITXAZOROFLNV-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001480934107 897677498 /nfs/dbraw/zinc/67/74/98/897677498.db2.gz AUITXAZOROFLNV-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267517056 898205516 /nfs/dbraw/zinc/20/55/16/898205516.db2.gz LWAWNEKBZYLOAE-DLBZAZTESA-N 2 1 299.418 1.551 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267549405 898324150 /nfs/dbraw/zinc/32/41/50/898324150.db2.gz WNRFMAULWSCPEH-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001267549405 898324161 /nfs/dbraw/zinc/32/41/61/898324161.db2.gz WNRFMAULWSCPEH-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 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10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001481751764 902013623 /nfs/dbraw/zinc/01/36/23/902013623.db2.gz OUCYCBTXWYZMSN-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268427337 902041890 /nfs/dbraw/zinc/04/18/90/902041890.db2.gz WABLLOZXBXJHFC-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001567777879 1168965516 /nfs/dbraw/zinc/96/55/16/1168965516.db2.gz XGGJEWWRQWCQCV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001481941872 902384314 /nfs/dbraw/zinc/38/43/14/902384314.db2.gz YIAQTTJVGXAOBU-CJNGLKHVSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001482012343 902470549 /nfs/dbraw/zinc/47/05/49/902470549.db2.gz HDCBDIGUBQEKSM-KKUMJFAQSA-N 2 1 277.412 1.121 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001268555802 902555986 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C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001494154926 921006854 /nfs/dbraw/zinc/00/68/54/921006854.db2.gz AAPOIFZRZUJODH-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001568367176 1169262013 /nfs/dbraw/zinc/26/20/13/1169262013.db2.gz FNWQSLASNJTZAQ-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491180627 936869967 /nfs/dbraw/zinc/86/99/67/936869967.db2.gz UKDFQLMBWJBPHW-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001273802072 925951356 /nfs/dbraw/zinc/95/13/56/925951356.db2.gz NOWWUSPTHDVADH-UHFFFAOYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001488835207 926731794 /nfs/dbraw/zinc/73/17/94/926731794.db2.gz UYXNESMKXJCMAC-BZUAXINKSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001493145874 926900270 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C#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001282652959 942735788 /nfs/dbraw/zinc/73/57/88/942735788.db2.gz CQRWKKSUZGVGOO-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001277539564 942938502 /nfs/dbraw/zinc/93/85/02/942938502.db2.gz XKDHZCHSWFIBFE-MRXNPFEDSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277539564 942938504 /nfs/dbraw/zinc/93/85/04/942938504.db2.gz XKDHZCHSWFIBFE-MRXNPFEDSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001277539564 942938507 /nfs/dbraw/zinc/93/85/07/942938507.db2.gz XKDHZCHSWFIBFE-MRXNPFEDSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001277825495 943716615 /nfs/dbraw/zinc/71/66/15/943716615.db2.gz BSDZHXIEJYGCQR-KGLIPLIRSA-N 2 1 290.411 1.466 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cncc1C ZINC001265648744 944457114 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MGQQEYDZFYIFJB-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001493592082 972087074 /nfs/dbraw/zinc/08/70/74/972087074.db2.gz RVTQANULPXGOIC-ZIAGYGMSSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001328859324 955517737 /nfs/dbraw/zinc/51/77/37/955517737.db2.gz PIXHLNWSLBUGMC-UYSNPLJNSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001492386051 955850016 /nfs/dbraw/zinc/85/00/16/955850016.db2.gz KHICJTBFWHVASK-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001492386051 955850022 /nfs/dbraw/zinc/85/00/22/955850022.db2.gz KHICJTBFWHVASK-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001492386051 955850038 /nfs/dbraw/zinc/85/00/38/955850038.db2.gz KHICJTBFWHVASK-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP 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IHXVMIIFWVCKLY-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001322305600 960177642 /nfs/dbraw/zinc/17/76/42/960177642.db2.gz FPAULZLEQMLUNM-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001419913884 962231234 /nfs/dbraw/zinc/23/12/34/962231234.db2.gz YOFIDUZZGUEIHR-NWDGAFQWSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC001544237754 967347785 /nfs/dbraw/zinc/34/77/85/967347785.db2.gz MQWYUUZBTGJXSP-AWEZNQCLSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001496639980 973004673 /nfs/dbraw/zinc/00/46/73/973004673.db2.gz WGHHMYWGJOAPPI-CQSZACIVSA-N 2 1 269.433 1.633 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001497660325 973455247 /nfs/dbraw/zinc/45/52/47/973455247.db2.gz DNLBRJGUYRRRDB-SQRWCISFSA-N 2 1 293.455 1.947 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001417982560 973513993 /nfs/dbraw/zinc/51/39/93/973513993.db2.gz JKDWXSHLZQYVPE-KGLIPLIRSA-N 2 1 299.846 1.708 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001498053775 973651084 /nfs/dbraw/zinc/65/10/84/973651084.db2.gz SAPFMKSOPVUYQZ-DZGCQCFKSA-N 2 1 277.412 1.121 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001498424304 973902077 /nfs/dbraw/zinc/90/20/77/973902077.db2.gz DRKBCZVPBGMFGI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001498424304 973902093 /nfs/dbraw/zinc/90/20/93/973902093.db2.gz DRKBCZVPBGMFGI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001498424304 973902104 /nfs/dbraw/zinc/90/21/04/973902104.db2.gz DRKBCZVPBGMFGI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498454870 973925929 /nfs/dbraw/zinc/92/59/29/973925929.db2.gz FQRSNPOSPIRHCY-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498454870 973925938 /nfs/dbraw/zinc/92/59/38/973925938.db2.gz FQRSNPOSPIRHCY-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP CC#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001569724058 1169977025 /nfs/dbraw/zinc/97/70/25/1169977025.db2.gz OVIGWEDJCIQRTM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001569724058 1169977029 /nfs/dbraw/zinc/97/70/29/1169977029.db2.gz OVIGWEDJCIQRTM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001569724058 1169977033 /nfs/dbraw/zinc/97/70/33/1169977033.db2.gz OVIGWEDJCIQRTM-KRWDZBQOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001501172011 974544576 /nfs/dbraw/zinc/54/45/76/974544576.db2.gz LPZIPBCGEVNWKF-QKPAOTATSA-N 2 1 293.455 1.872 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001502371700 974727669 /nfs/dbraw/zinc/72/76/69/974727669.db2.gz VNPLKLRYRRIKRS-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001505536042 974902513 /nfs/dbraw/zinc/90/25/13/974902513.db2.gz JNCFFDLPGXYJGX-SLTAFYQDSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1C ZINC001507289606 975400884 /nfs/dbraw/zinc/40/08/84/975400884.db2.gz SLPOGYYKWOJABG-KGLIPLIRSA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]1C ZINC001674140662 1173917693 /nfs/dbraw/zinc/91/76/93/1173917693.db2.gz HWBLMUIJBPXJQN-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001675139139 1174079331 /nfs/dbraw/zinc/07/93/31/1174079331.db2.gz AMIRRWHNUKNCAW-HZPDHXFCSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001676222655 1174193252 /nfs/dbraw/zinc/19/32/52/1174193252.db2.gz WKFOWUQALRHPKQ-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001677251863 1174340300 /nfs/dbraw/zinc/34/03/00/1174340300.db2.gz AHNFQPKQWQAXFB-KFWWJZLASA-N 2 1 293.455 1.470 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001571335352 1170370557 /nfs/dbraw/zinc/37/05/57/1170370557.db2.gz FJBTXBOHNIIPIN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001571335352 1170370570 /nfs/dbraw/zinc/37/05/70/1170370570.db2.gz FJBTXBOHNIIPIN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571335352 1170370586 /nfs/dbraw/zinc/37/05/86/1170370586.db2.gz FJBTXBOHNIIPIN-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001571658652 1170512795 /nfs/dbraw/zinc/51/27/95/1170512795.db2.gz GNERDZRWMOCMKQ-HWOWSKLDSA-N 2 1 291.439 1.463 10 30 CDEEMP CCO[C@@H]1C[N@H+](Cc2ccc(C)c(C#N)c2)C[C@H]1C[NH3+] ZINC000600711626 342243745 /nfs/dbraw/zinc/24/37/45/342243745.db2.gz STJFAVOXFLZEMI-HZPDHXFCSA-N 2 1 273.380 1.662 10 30 CDEEMP CCO[C@@H]1C[N@@H+](Cc2ccc(C)c(C#N)c2)C[C@H]1C[NH3+] ZINC000600711626 342243746 /nfs/dbraw/zinc/24/37/46/342243746.db2.gz STJFAVOXFLZEMI-HZPDHXFCSA-N 2 1 273.380 1.662 10 30 CDEEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(C#N)cc1)C2 ZINC000600745865 349878499 /nfs/dbraw/zinc/87/84/99/349878499.db2.gz QNXLXIKSBVUMFT-IYBDPMFKSA-N 2 1 255.365 1.990 10 30 CDEEMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(C#N)cc1)C2 ZINC000600745865 349878500 /nfs/dbraw/zinc/87/85/00/349878500.db2.gz QNXLXIKSBVUMFT-IYBDPMFKSA-N 2 1 255.365 1.990 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](O)CN(C)Cc1ccccc1 ZINC000682435400 482664788 /nfs/dbraw/zinc/66/47/88/482664788.db2.gz QVGKDLUUCKNUFU-INIZCTEOSA-N 2 1 262.397 1.987 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703032 357374473 /nfs/dbraw/zinc/37/44/73/357374473.db2.gz OOEQCPTVUSZHGI-HOTGVXAUSA-N 2 1 282.428 1.138 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661473996 1172396104 /nfs/dbraw/zinc/39/61/04/1172396104.db2.gz TVKBELPBEUZGSH-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001661753572 1172440917 /nfs/dbraw/zinc/44/09/17/1172440917.db2.gz YHNFRJJLHNYBMA-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663533297 1172718009 /nfs/dbraw/zinc/71/80/09/1172718009.db2.gz YNQVETUDTNLDRP-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001663533297 1172718015 /nfs/dbraw/zinc/71/80/15/1172718015.db2.gz YNQVETUDTNLDRP-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC001663991975 1172797385 /nfs/dbraw/zinc/79/73/85/1172797385.db2.gz GKUJIQMBYFROCK-VXGBXAGGSA-N 2 1 262.357 1.137 10 30 CDEEMP C=CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)COC ZINC000662298811 414623376 /nfs/dbraw/zinc/62/33/76/414623376.db2.gz HGHLBZRZHKHBJE-CHWSQXEVSA-N 2 1 254.374 1.030 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCCC[C@H]1CCO ZINC000043683554 175092418 /nfs/dbraw/zinc/09/24/18/175092418.db2.gz BDDJOORGLPLYPG-AWEZNQCLSA-N 2 1 278.421 1.795 10 30 CDEEMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(C#CC[NH3+])cc2)C1 ZINC000044560313 175204342 /nfs/dbraw/zinc/20/43/42/175204342.db2.gz RTDPMXODUUKJNZ-HNNXBMFYSA-N 2 1 285.391 1.068 10 30 CDEEMP CCC[N@@H+](CCN(C)C)Cc1cccc(C#CC[NH3+])c1 ZINC000045707168 175382732 /nfs/dbraw/zinc/38/27/32/175382732.db2.gz XMCBCCRBXQZVTR-UHFFFAOYSA-N 2 1 273.424 1.770 10 30 CDEEMP CCCN(CC[NH+](C)C)Cc1cccc(C#CC[NH3+])c1 ZINC000045707168 175382733 /nfs/dbraw/zinc/38/27/33/175382733.db2.gz XMCBCCRBXQZVTR-UHFFFAOYSA-N 2 1 273.424 1.770 10 30 CDEEMP CN(Cc1sccc1C#CC[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190472 176066844 /nfs/dbraw/zinc/06/68/44/176066844.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 2 1 277.437 1.442 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CC[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071190472 176066845 /nfs/dbraw/zinc/06/68/45/176066845.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C[N@H+](Cc1sccc1C#CC[NH3+])C[C@@H]1CC[NH+](C)C1 ZINC000071190472 176066847 /nfs/dbraw/zinc/06/68/47/176066847.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1sccc1C#CC[NH3+])C[C@@H]1CC[N@H+](C)C1 ZINC000071190472 176066848 /nfs/dbraw/zinc/06/68/48/176066848.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C[NH+](Cc1sccc1C#CC[NH3+])C[C@@H]1CC[N@@H+](C)C1 ZINC000071190472 176066849 /nfs/dbraw/zinc/06/68/49/176066849.db2.gz HIIHPZSOVULISQ-CYBMUJFWSA-N 3 1 277.437 1.442 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564864 1173690056 /nfs/dbraw/zinc/69/00/56/1173690056.db2.gz ZDGQLBZEUIKBLC-HOCLYGCPSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001671675079 1173701604 /nfs/dbraw/zinc/70/16/04/1173701604.db2.gz SPLTYFJOVDYMCM-ZBFHGGJFSA-N 2 1 288.395 1.438 10 30 CDEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001671672037 1173701801 /nfs/dbraw/zinc/70/18/01/1173701801.db2.gz CZEIEIICOFOLGD-NVXWUHKLSA-N 2 1 293.455 1.875 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(C)C(NC[C@@H]1CCC[C@@H]1O)=[NH+]C ZINC000262776428 330030924 /nfs/dbraw/zinc/03/09/24/330030924.db2.gz JLRCPEYKZKFELK-ZNMIVQPWSA-N 2 1 296.459 1.139 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422979705 330162555 /nfs/dbraw/zinc/16/25/55/330162555.db2.gz NLNJRGNGMMUREM-DLBZAZTESA-N 2 1 293.455 1.384 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001690946904 1175623842 /nfs/dbraw/zinc/62/38/42/1175623842.db2.gz TYBKGUABHMVHDS-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001690946904 1175623844 /nfs/dbraw/zinc/62/38/44/1175623844.db2.gz TYBKGUABHMVHDS-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1CCC ZINC001690946904 1175623850 /nfs/dbraw/zinc/62/38/50/1175623850.db2.gz TYBKGUABHMVHDS-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001670793823 1159856819 /nfs/dbraw/zinc/85/68/19/1159856819.db2.gz XNUNNULPRRGFLU-AWEZNQCLSA-N 2 1 277.412 1.123 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC001700920841 1160103006 /nfs/dbraw/zinc/10/30/06/1160103006.db2.gz BSEHDDGJHARWLT-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001733336173 1161238261 /nfs/dbraw/zinc/23/82/61/1161238261.db2.gz RIFILJVAFQNXMO-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)Cn1ccnc1)C(C)C ZINC001713694970 1178713889 /nfs/dbraw/zinc/71/38/89/1178713889.db2.gz BLJXOWLGKMLOQH-UHFFFAOYSA-N 2 1 264.373 1.286 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001716022803 1179996723 /nfs/dbraw/zinc/99/67/23/1179996723.db2.gz GSFGAKJTRISOHU-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001716022803 1179996729 /nfs/dbraw/zinc/99/67/29/1179996729.db2.gz GSFGAKJTRISOHU-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001716022803 1179996739 /nfs/dbraw/zinc/99/67/39/1179996739.db2.gz GSFGAKJTRISOHU-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001716022803 1179996744 /nfs/dbraw/zinc/99/67/44/1179996744.db2.gz GSFGAKJTRISOHU-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001717376038 1180635048 /nfs/dbraw/zinc/63/50/48/1180635048.db2.gz IZIWHHVPTXGUCL-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001734063636 1183643805 /nfs/dbraw/zinc/64/38/05/1183643805.db2.gz AEEODBBOGJZUEK-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001688896646 1175059379 /nfs/dbraw/zinc/05/93/79/1175059379.db2.gz HSTKAUMVAJGLBP-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939237048 612969129 /nfs/dbraw/zinc/96/91/29/612969129.db2.gz UEMKPAJCZAABBS-UONOGXRCSA-N 2 1 288.395 1.076 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032276 613225571 /nfs/dbraw/zinc/22/55/71/613225571.db2.gz GWWNSBTYONPDSZ-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032276 613225572 /nfs/dbraw/zinc/22/55/72/613225572.db2.gz GWWNSBTYONPDSZ-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C(C)(C)C1 ZINC000941032276 613225573 /nfs/dbraw/zinc/22/55/73/613225573.db2.gz GWWNSBTYONPDSZ-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941217302 613328485 /nfs/dbraw/zinc/32/84/85/613328485.db2.gz MGBSUOMEOYNDIL-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217302 613328487 /nfs/dbraw/zinc/32/84/87/613328487.db2.gz MGBSUOMEOYNDIL-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217302 613328489 /nfs/dbraw/zinc/32/84/89/613328489.db2.gz MGBSUOMEOYNDIL-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000900241436 622822912 /nfs/dbraw/zinc/82/29/12/622822912.db2.gz STAHBPIRNSNQOQ-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000900802561 623554122 /nfs/dbraw/zinc/55/41/22/623554122.db2.gz WFHPRZNXXCREQY-LSDHHAIUSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[N@H+](C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903913164 626145296 /nfs/dbraw/zinc/14/52/96/626145296.db2.gz AGGZJCHPEFFULU-CYBMUJFWSA-N 2 1 262.401 1.496 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905097000 626637508 /nfs/dbraw/zinc/63/75/08/626637508.db2.gz NRKDVHSNCOATPE-MRXNPFEDSA-N 2 1 296.455 1.673 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905271191 626726978 /nfs/dbraw/zinc/72/69/78/626726978.db2.gz ACUOOJFVKGPXEV-NSHDSACASA-N 2 1 266.307 1.235 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CCC ZINC000908176868 628052687 /nfs/dbraw/zinc/05/26/87/628052687.db2.gz FZWJCTOFAWMLJT-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001690977579 1158511366 /nfs/dbraw/zinc/51/13/66/1158511366.db2.gz FEPHCUWBQNVGAD-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001690977579 1158511370 /nfs/dbraw/zinc/51/13/70/1158511370.db2.gz FEPHCUWBQNVGAD-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCCCC(=O)OC ZINC000303770385 681817409 /nfs/dbraw/zinc/81/74/09/681817409.db2.gz BXNRSYDTVQSGMV-CYBMUJFWSA-N 2 1 298.431 1.108 10 30 CDEEMP C[C@@H](CNC(=[NH2+])NC1CCCCC1)C[NH+]1CCOCC1 ZINC000304742185 682305131 /nfs/dbraw/zinc/30/51/31/682305131.db2.gz CLFFEOKUQLGZFS-ZDUSSCGKSA-N 2 1 282.432 1.192 10 30 CDEEMP C=CC[C@@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000878337382 682590644 /nfs/dbraw/zinc/59/06/44/682590644.db2.gz ATQMOMCKEXEFHR-CQSZACIVSA-N 2 1 268.401 1.110 10 30 CDEEMP N#CCCCC[NH+]1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931291122 683059431 /nfs/dbraw/zinc/05/94/31/683059431.db2.gz XANTUZSKKWYGEN-UHFFFAOYSA-N 2 1 265.401 1.867 10 30 CDEEMP N#CCCCC[NH+]1CCC([N@H+]2CCCOCC2)CC1 ZINC000931291122 683059438 /nfs/dbraw/zinc/05/94/38/683059438.db2.gz XANTUZSKKWYGEN-UHFFFAOYSA-N 2 1 265.401 1.867 10 30 CDEEMP C=CCN1CC[C@@H]([N@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709384 683893341 /nfs/dbraw/zinc/89/33/41/683893341.db2.gz XACQRUCUWFQTKA-CJNGLKHVSA-N 2 1 279.428 1.470 10 30 CDEEMP C[NH+]=C(NC[C@]1(C)CCOC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261997678 684022471 /nfs/dbraw/zinc/02/24/71/684022471.db2.gz SWAJGAVYTRNPHU-FMKPAKJESA-N 2 1 296.459 1.307 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000819023285 684051405 /nfs/dbraw/zinc/05/14/05/684051405.db2.gz CXZAHRXAFKRROJ-MRXNPFEDSA-N 2 1 293.386 1.884 10 30 CDEEMP C#CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000863540510 684247167 /nfs/dbraw/zinc/24/71/67/684247167.db2.gz FDBGJRKXGUMSFT-AWEZNQCLSA-N 2 1 288.391 1.857 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001691370225 1159041769 /nfs/dbraw/zinc/04/17/69/1159041769.db2.gz INKVFHUGDAANGG-OAGGEKHMSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001266445001 1158546577 /nfs/dbraw/zinc/54/65/77/1158546577.db2.gz IWYYQZDQIIYZOX-JKSUJKDBSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001567415625 1168743405 /nfs/dbraw/zinc/74/34/05/1168743405.db2.gz PIABYBOOZRQQFG-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC001567450466 1168771121 /nfs/dbraw/zinc/77/11/21/1168771121.db2.gz HCINNUBVJAQSBW-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001568392350 1169272489 /nfs/dbraw/zinc/27/24/89/1169272489.db2.gz NRSRFSRKIDDFRC-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001568506825 1169339305 /nfs/dbraw/zinc/33/93/05/1169339305.db2.gz WQQPBCVUVBVVMK-UHFFFAOYSA-N 2 1 289.423 1.938 10 30 CDEEMP C=CCC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]21 ZINC001568514730 1169342010 /nfs/dbraw/zinc/34/20/10/1169342010.db2.gz BEEHKTNNUMDCRZ-HOTGVXAUSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001569118813 1169668221 /nfs/dbraw/zinc/66/82/21/1169668221.db2.gz WIFBNIAUFTWGEO-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001571463891 1170439581 /nfs/dbraw/zinc/43/95/81/1170439581.db2.gz CZUMHIQNOGEKCI-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001657101907 1171930089 /nfs/dbraw/zinc/93/00/89/1171930089.db2.gz KJFWHRPOFOEHSY-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001665192292 1172960451 /nfs/dbraw/zinc/96/04/51/1172960451.db2.gz XIZMACRWWGIHAT-OCCSQVGLSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690951765 1175625411 /nfs/dbraw/zinc/62/54/11/1175625411.db2.gz YGKMNAVUPGIUPZ-UHFFFAOYSA-N 2 1 265.401 1.096 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001698693565 1175896812 /nfs/dbraw/zinc/89/68/12/1175896812.db2.gz DWZBWBLNBSGGFG-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001699472625 1176433610 /nfs/dbraw/zinc/43/36/10/1176433610.db2.gz VWXGUUHFWFXYSR-KBPBESRZSA-N 2 1 269.433 1.585 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634602 1176530711 /nfs/dbraw/zinc/53/07/11/1176530711.db2.gz SHRJCLHVJAIGTB-HOCLYGCPSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC001699675219 1176564842 /nfs/dbraw/zinc/56/48/42/1176564842.db2.gz CYQNUJXGIZYOKF-UHFFFAOYSA-N 2 1 287.407 1.543 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)Cc2ccccc2)CC1 ZINC001699675219 1176564849 /nfs/dbraw/zinc/56/48/49/1176564849.db2.gz CYQNUJXGIZYOKF-UHFFFAOYSA-N 2 1 287.407 1.543 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C1CCCC1 ZINC001699802251 1176626977 /nfs/dbraw/zinc/62/69/77/1176626977.db2.gz WUNGHIQQOSSKNH-OAHLLOKOSA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001700409931 1176912861 /nfs/dbraw/zinc/91/28/61/1176912861.db2.gz RPRZMAGLIYACAG-ZIAGYGMSSA-N 2 1 278.400 1.641 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001700888963 1177179563 /nfs/dbraw/zinc/17/95/63/1177179563.db2.gz RUYJZPASHCZLDB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001700888963 1177179567 /nfs/dbraw/zinc/17/95/67/1177179567.db2.gz RUYJZPASHCZLDB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001700888963 1177179574 /nfs/dbraw/zinc/17/95/74/1177179574.db2.gz RUYJZPASHCZLDB-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001707067095 1177937858 /nfs/dbraw/zinc/93/78/58/1177937858.db2.gz ZUXIZIYEJJIPOE-OWCLPIDISA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1C ZINC001707252812 1177983533 /nfs/dbraw/zinc/98/35/33/1177983533.db2.gz REZVVJHCOCZLNZ-FRRDWIJNSA-N 2 1 253.390 1.092 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001707402290 1178023166 /nfs/dbraw/zinc/02/31/66/1178023166.db2.gz IXYNVDYZYPAPJS-UHFFFAOYSA-N 2 1 261.797 1.129 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001707402290 1178023174 /nfs/dbraw/zinc/02/31/74/1178023174.db2.gz IXYNVDYZYPAPJS-UHFFFAOYSA-N 2 1 261.797 1.129 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001712960405 1178269570 /nfs/dbraw/zinc/26/95/70/1178269570.db2.gz SHCLALICAPJAJF-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001712960405 1178269576 /nfs/dbraw/zinc/26/95/76/1178269576.db2.gz SHCLALICAPJAJF-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)C)C1CC1 ZINC001713113176 1178376218 /nfs/dbraw/zinc/37/62/18/1178376218.db2.gz NJKZVMAQHMUTRW-CVEARBPZSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)C)C1CC1 ZINC001713113176 1178376231 /nfs/dbraw/zinc/37/62/31/1178376231.db2.gz NJKZVMAQHMUTRW-CVEARBPZSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001713117001 1178377665 /nfs/dbraw/zinc/37/76/65/1178377665.db2.gz NUPMWLJPLJRNHX-CVEARBPZSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001713220922 1178440841 /nfs/dbraw/zinc/44/08/41/1178440841.db2.gz VZELUMJLQWIHGO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220922 1178440844 /nfs/dbraw/zinc/44/08/44/1178440844.db2.gz VZELUMJLQWIHGO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001713220922 1178440846 /nfs/dbraw/zinc/44/08/46/1178440846.db2.gz VZELUMJLQWIHGO-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713452952 1178573465 /nfs/dbraw/zinc/57/34/65/1178573465.db2.gz JBRPALRYOHKLOM-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001713478192 1178594103 /nfs/dbraw/zinc/59/41/03/1178594103.db2.gz RXJOSELXRATVEE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713478192 1178594107 /nfs/dbraw/zinc/59/41/07/1178594107.db2.gz RXJOSELXRATVEE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001713478192 1178594114 /nfs/dbraw/zinc/59/41/14/1178594114.db2.gz RXJOSELXRATVEE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713739566 1178731175 /nfs/dbraw/zinc/73/11/75/1178731175.db2.gz FSNOMRMXCUBVPR-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001713739566 1178731183 /nfs/dbraw/zinc/73/11/83/1178731183.db2.gz FSNOMRMXCUBVPR-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001713739566 1178731188 /nfs/dbraw/zinc/73/11/88/1178731188.db2.gz FSNOMRMXCUBVPR-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001714048192 1178945562 /nfs/dbraw/zinc/94/55/62/1178945562.db2.gz FLSQSRPROUKYMR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001714048192 1178945565 /nfs/dbraw/zinc/94/55/65/1178945565.db2.gz FLSQSRPROUKYMR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001714048192 1178945568 /nfs/dbraw/zinc/94/55/68/1178945568.db2.gz FLSQSRPROUKYMR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001714080125 1178963899 /nfs/dbraw/zinc/96/38/99/1178963899.db2.gz SVACSBPGPKURCS-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714118667 1178981100 /nfs/dbraw/zinc/98/11/00/1178981100.db2.gz WYBGULQCCZEEJI-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001714118667 1178981106 /nfs/dbraw/zinc/98/11/06/1178981106.db2.gz WYBGULQCCZEEJI-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714384966 1179115952 /nfs/dbraw/zinc/11/59/52/1179115952.db2.gz KCUWZHNLOWQKSP-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001714412864 1179128682 /nfs/dbraw/zinc/12/86/82/1179128682.db2.gz SUXJGNHGONKNBC-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001714798875 1179402732 /nfs/dbraw/zinc/40/27/32/1179402732.db2.gz YQZYBHIDIWZNSD-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001714866309 1179429208 /nfs/dbraw/zinc/42/92/08/1179429208.db2.gz LZLNLKWUNIRUEG-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714866309 1179429210 /nfs/dbraw/zinc/42/92/10/1179429210.db2.gz LZLNLKWUNIRUEG-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001714866309 1179429215 /nfs/dbraw/zinc/42/92/15/1179429215.db2.gz LZLNLKWUNIRUEG-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001714935212 1179462537 /nfs/dbraw/zinc/46/25/37/1179462537.db2.gz QWSIHBMZVXHYMW-OAHLLOKOSA-N 2 1 277.412 1.095 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001715258227 1179599830 /nfs/dbraw/zinc/59/98/30/1179599830.db2.gz ZZOCBZXSMGUSJB-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001715422911 1179662446 /nfs/dbraw/zinc/66/24/46/1179662446.db2.gz VOQWNXSIDWYACX-UONOGXRCSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715441614 1179668263 /nfs/dbraw/zinc/66/82/63/1179668263.db2.gz ZOULQXXIJCXPBF-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001715547747 1179711804 /nfs/dbraw/zinc/71/18/04/1179711804.db2.gz ACGKUZFQDHAIDF-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H](F)CC ZINC001716222103 1180108631 /nfs/dbraw/zinc/10/86/31/1180108631.db2.gz OCWLPYNHEVAKMJ-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@H](F)CC ZINC001716222103 1180108632 /nfs/dbraw/zinc/10/86/32/1180108632.db2.gz OCWLPYNHEVAKMJ-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CC(C)C ZINC001716482343 1180245426 /nfs/dbraw/zinc/24/54/26/1180245426.db2.gz IUAYUGVXVFIVHO-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC(C)C ZINC001716482343 1180245430 /nfs/dbraw/zinc/24/54/30/1180245430.db2.gz IUAYUGVXVFIVHO-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(C)C ZINC001716482343 1180245435 /nfs/dbraw/zinc/24/54/35/1180245435.db2.gz IUAYUGVXVFIVHO-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC(C)C ZINC001716482343 1180245440 /nfs/dbraw/zinc/24/54/40/1180245440.db2.gz IUAYUGVXVFIVHO-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001716673712 1180358986 /nfs/dbraw/zinc/35/89/86/1180358986.db2.gz YSSJTFBOTBLISV-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001716673712 1180358993 /nfs/dbraw/zinc/35/89/93/1180358993.db2.gz YSSJTFBOTBLISV-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001716849082 1180439280 /nfs/dbraw/zinc/43/92/80/1180439280.db2.gz QNWBNRVRMTVQQQ-QGZVFWFLSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716849082 1180439285 /nfs/dbraw/zinc/43/92/85/1180439285.db2.gz QNWBNRVRMTVQQQ-QGZVFWFLSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001716849082 1180439289 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C#CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001732089074 1182758586 /nfs/dbraw/zinc/75/85/86/1182758586.db2.gz WWHPGEIHGMQZDS-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001732097767 1182766299 /nfs/dbraw/zinc/76/62/99/1182766299.db2.gz LAEBSUMHRTXOSD-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001732097767 1182766304 /nfs/dbraw/zinc/76/63/04/1182766304.db2.gz LAEBSUMHRTXOSD-HNNXBMFYSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCC1 ZINC001732234326 1182874282 /nfs/dbraw/zinc/87/42/82/1182874282.db2.gz LERBFZUJVSVYAP-UHFFFAOYSA-N 2 1 281.444 1.923 10 30 CDEEMP C=C(C)C[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001732324482 1182906147 /nfs/dbraw/zinc/90/61/47/1182906147.db2.gz DNUPHDMCICGLED-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001732999174 1183230454 /nfs/dbraw/zinc/23/04/54/1183230454.db2.gz RNJIIGSJHPUGGR-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001733122380 1183297918 /nfs/dbraw/zinc/29/79/18/1183297918.db2.gz SOBNVJUXFLTSOC-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001733777766 1183530055 /nfs/dbraw/zinc/53/00/55/1183530055.db2.gz QXWGEBYYMUAWRO-UHFFFAOYSA-N 2 1 264.373 1.227 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733809672 1183537052 /nfs/dbraw/zinc/53/70/52/1183537052.db2.gz POTKALDKEAYKPL-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001733948714 1183580269 /nfs/dbraw/zinc/58/02/69/1183580269.db2.gz JZMJSATUNAGWPB-PFSRBDOWSA-N 2 1 279.428 1.387 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001734219941 1183695215 /nfs/dbraw/zinc/69/52/15/1183695215.db2.gz LXCKAKVVFLXELP-XIRDDKMYSA-N 2 1 299.418 1.407 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001734456757 1183785893 /nfs/dbraw/zinc/78/58/93/1183785893.db2.gz HNLWMPJUXOUHMO-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001734456757 1183785895 /nfs/dbraw/zinc/78/58/95/1183785895.db2.gz HNLWMPJUXOUHMO-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001734456757 1183785899 /nfs/dbraw/zinc/78/58/99/1183785899.db2.gz HNLWMPJUXOUHMO-ZBFHGGJFSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001750929808 1184783995 /nfs/dbraw/zinc/78/39/95/1184783995.db2.gz PXIVASRWDCFNJN-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001275168472 1166661361 /nfs/dbraw/zinc/66/13/61/1166661361.db2.gz XOXJCIYYNHQNBO-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001275168472 1166661367 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C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCC=C ZINC001266394514 894669718 /nfs/dbraw/zinc/66/97/18/894669718.db2.gz SELUMCZZNOBVBR-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC=C ZINC001266394514 894669721 /nfs/dbraw/zinc/66/97/21/894669721.db2.gz SELUMCZZNOBVBR-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001266425438 894805110 /nfs/dbraw/zinc/80/51/10/894805110.db2.gz OPBKMZYGHLPMMQ-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266431357 894844378 /nfs/dbraw/zinc/84/43/78/894844378.db2.gz FJDKJSQDKLECNH-CQSZACIVSA-N 2 1 269.433 1.587 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001266479741 895026060 /nfs/dbraw/zinc/02/60/60/895026060.db2.gz BXKCNMMSIRUKGM-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266517819 895195463 /nfs/dbraw/zinc/19/54/63/895195463.db2.gz 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1 281.444 1.826 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001485921739 920579094 /nfs/dbraw/zinc/57/90/94/920579094.db2.gz CUDOJEWFYFLZAP-CYBMUJFWSA-N 2 1 267.417 1.034 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001491334572 936895577 /nfs/dbraw/zinc/89/55/77/936895577.db2.gz QKXALZRLDLTIMG-RFBLXINOSA-N 2 1 291.439 1.339 10 30 CDEEMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491334572 936895580 /nfs/dbraw/zinc/89/55/80/936895580.db2.gz QKXALZRLDLTIMG-RFBLXINOSA-N 2 1 291.439 1.339 10 30 CDEEMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491334572 936895583 /nfs/dbraw/zinc/89/55/83/936895583.db2.gz QKXALZRLDLTIMG-RFBLXINOSA-N 2 1 291.439 1.339 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001488683885 926647142 /nfs/dbraw/zinc/64/71/42/926647142.db2.gz PBUDIORITCOOPO-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001488683885 926647145 /nfs/dbraw/zinc/64/71/45/926647145.db2.gz PBUDIORITCOOPO-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001488683885 926647151 /nfs/dbraw/zinc/64/71/51/926647151.db2.gz PBUDIORITCOOPO-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001568458799 1169298590 /nfs/dbraw/zinc/29/85/90/1169298590.db2.gz DEVTZRUCBANLIM-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001490665762 927277647 /nfs/dbraw/zinc/27/76/47/927277647.db2.gz TXNGOPDOKGALGJ-ARFHVFGLSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490775322 927337317 /nfs/dbraw/zinc/33/73/17/927337317.db2.gz AWUDIYDAYSKHAG-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490775322 927337330 /nfs/dbraw/zinc/33/73/30/927337330.db2.gz AWUDIYDAYSKHAG-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490775322 927337343 /nfs/dbraw/zinc/33/73/43/927337343.db2.gz AWUDIYDAYSKHAG-HUUCEWRRSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+](C)C1CCC1 ZINC001568554474 1169366884 /nfs/dbraw/zinc/36/68/84/1169366884.db2.gz RDCUKBGPFIJVDT-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@H+](C)C1CCC1 ZINC001568554474 1169366893 /nfs/dbraw/zinc/36/68/93/1169366893.db2.gz RDCUKBGPFIJVDT-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+](C)C1CCC1 ZINC001568554474 1169366903 /nfs/dbraw/zinc/36/69/03/1169366903.db2.gz RDCUKBGPFIJVDT-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001273444350 932825881 /nfs/dbraw/zinc/82/58/81/932825881.db2.gz AVUXIVWHMYYKNY-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001280848930 941861019 /nfs/dbraw/zinc/86/10/19/941861019.db2.gz VSHNDQSZWSMVFH-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001277058925 941888332 /nfs/dbraw/zinc/88/83/32/941888332.db2.gz QHYBEIBBLNMGQQ-YHUYYLMFSA-N 2 1 291.439 1.674 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001280546331 942461145 /nfs/dbraw/zinc/46/11/45/942461145.db2.gz YLKGZQNHKWHYOI-UHFFFAOYSA-N 2 1 262.357 1.006 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)CCC)CC1 ZINC001281526896 942588459 /nfs/dbraw/zinc/58/84/59/942588459.db2.gz OFVOKDADSYTLSF-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001281897580 942628225 /nfs/dbraw/zinc/62/82/25/942628225.db2.gz RCMZKRMNPWAUDL-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316629138 942975759 /nfs/dbraw/zinc/97/57/59/942975759.db2.gz ZZOADCJODBDDLV-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001284959015 943302245 /nfs/dbraw/zinc/30/22/45/943302245.db2.gz FIRSYGLHGIZAJI-UHFFFAOYSA-N 2 1 265.401 1.263 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001264175807 944092979 /nfs/dbraw/zinc/09/29/79/944092979.db2.gz ZTDGKBLIMJJOKT-OWCLPIDISA-N 2 1 291.439 1.319 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001264175807 944092983 /nfs/dbraw/zinc/09/29/83/944092983.db2.gz ZTDGKBLIMJJOKT-OWCLPIDISA-N 2 1 291.439 1.319 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001264188792 944096130 /nfs/dbraw/zinc/09/61/30/944096130.db2.gz WNNILAKYMREFSM-HNNXBMFYSA-N 2 1 290.411 1.772 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001264376240 944119557 /nfs/dbraw/zinc/11/95/57/944119557.db2.gz FKDSOQYNJIROBJ-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001265731199 944482008 /nfs/dbraw/zinc/48/20/08/944482008.db2.gz HDCBDIGUBQEKSM-NRXISQOPSA-N 2 1 277.412 1.121 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001265907714 944568851 /nfs/dbraw/zinc/56/88/51/944568851.db2.gz AEUDNUCMXAUOLH-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001265907714 944568856 /nfs/dbraw/zinc/56/88/56/944568856.db2.gz AEUDNUCMXAUOLH-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001265907714 944568861 /nfs/dbraw/zinc/56/88/61/944568861.db2.gz AEUDNUCMXAUOLH-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001265978726 944610452 /nfs/dbraw/zinc/61/04/52/944610452.db2.gz WBSXWCZJVDRIJA-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001266011435 944628236 /nfs/dbraw/zinc/62/82/36/944628236.db2.gz WDVBHJLUHIURJL-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266040987 944651504 /nfs/dbraw/zinc/65/15/04/944651504.db2.gz PTGXPASQCXABJQ-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001568865380 1169525174 /nfs/dbraw/zinc/52/51/74/1169525174.db2.gz BYHDAQJGORCMMS-FOSCPCJNSA-N 2 1 279.428 1.699 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001332199149 945908994 /nfs/dbraw/zinc/90/89/94/945908994.db2.gz NLHXUHBPTXVETK-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001479724524 971383535 /nfs/dbraw/zinc/38/35/35/971383535.db2.gz OGAGOPMSCQDWFM-ILXRZTDVSA-N 2 1 281.444 1.728 10 30 CDEEMP C=CCC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278443887 948140491 /nfs/dbraw/zinc/14/04/91/948140491.db2.gz KDVZYQRVGCWPEO-OAHLLOKOSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001278443887 948140496 /nfs/dbraw/zinc/14/04/96/948140496.db2.gz KDVZYQRVGCWPEO-OAHLLOKOSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001278450083 948199541 /nfs/dbraw/zinc/19/95/41/948199541.db2.gz BAFXJEYANWIIMD-YCPHGPKFSA-N 2 1 277.412 1.073 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279033864 948627116 /nfs/dbraw/zinc/62/71/16/948627116.db2.gz GTJPSMNQRHHKLT-KBPBESRZSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279033864 948627120 /nfs/dbraw/zinc/62/71/20/948627120.db2.gz GTJPSMNQRHHKLT-KBPBESRZSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001480464290 971742541 /nfs/dbraw/zinc/74/25/41/971742541.db2.gz RGOGABSDMGKXJA-STQMWFEESA-N 2 1 278.400 1.677 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001480536326 971773755 /nfs/dbraw/zinc/77/37/55/971773755.db2.gz FMCCMZAIQZVAIM-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001493061647 971935115 /nfs/dbraw/zinc/93/51/15/971935115.db2.gz HCWIKGUJVQVMMN-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325434308 953901441 /nfs/dbraw/zinc/90/14/41/953901441.db2.gz AGMGUNAZLNLIHF-LSDHHAIUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325920732 954141710 /nfs/dbraw/zinc/14/17/10/954141710.db2.gz MBNRJSKYCJXDTA-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001327164502 954744600 /nfs/dbraw/zinc/74/46/00/954744600.db2.gz UPTHYJSLVLOVFQ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001327164502 954744616 /nfs/dbraw/zinc/74/46/16/954744616.db2.gz UPTHYJSLVLOVFQ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001327164502 954744620 /nfs/dbraw/zinc/74/46/20/954744620.db2.gz UPTHYJSLVLOVFQ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001327283812 954811388 /nfs/dbraw/zinc/81/13/88/954811388.db2.gz DCFZZWDYFXRHFW-HNNXBMFYSA-N 2 1 281.444 1.376 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001327945932 955125765 /nfs/dbraw/zinc/12/57/65/955125765.db2.gz YWLZMOMTJLOOPE-ZFWWWQNUSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001491685039 955357219 /nfs/dbraw/zinc/35/72/19/955357219.db2.gz XAZHFYBBPRPWCJ-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001491684529 955358241 /nfs/dbraw/zinc/35/82/41/955358241.db2.gz WIUDJSDHJBNZTB-CYBMUJFWSA-N 2 1 255.406 1.387 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001421762156 955530734 /nfs/dbraw/zinc/53/07/34/955530734.db2.gz BGSUCEJYNBEKBU-LLVKDONJSA-N 2 1 275.824 1.421 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051440 955651893 /nfs/dbraw/zinc/65/18/93/955651893.db2.gz BQICRFDUYGDDRJ-VXGBXAGGSA-N 2 1 253.390 1.140 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001329575482 955995770 /nfs/dbraw/zinc/99/57/70/955995770.db2.gz TYIHLOIFQKQHHU-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001493997696 972157729 /nfs/dbraw/zinc/15/77/29/972157729.db2.gz OLDFUOHUUDRWKT-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493997696 972157733 /nfs/dbraw/zinc/15/77/33/972157733.db2.gz OLDFUOHUUDRWKT-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493997696 972157738 /nfs/dbraw/zinc/15/77/38/972157738.db2.gz OLDFUOHUUDRWKT-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001317384281 956241550 /nfs/dbraw/zinc/24/15/50/956241550.db2.gz VEJKUAGOURHAJU-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001330229072 956339839 /nfs/dbraw/zinc/33/98/39/956339839.db2.gz BLHLDSAQKFHCDA-HUUCEWRRSA-N 2 1 295.471 1.975 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001480683572 956535882 /nfs/dbraw/zinc/53/58/82/956535882.db2.gz OQRQINQGGCBXQE-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001317113084 957279572 /nfs/dbraw/zinc/27/95/72/957279572.db2.gz LOIBCKMAOSXLNF-XHSDSOJGSA-N 2 1 289.423 1.287 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1 ZINC001317113084 957279578 /nfs/dbraw/zinc/27/95/78/957279578.db2.gz LOIBCKMAOSXLNF-XHSDSOJGSA-N 2 1 289.423 1.287 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001317559345 957553585 /nfs/dbraw/zinc/55/35/85/957553585.db2.gz WQXWBSBGPWVESA-UHFFFAOYSA-N 2 1 293.455 1.875 10 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CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=C)C ZINC001497404179 973334420 /nfs/dbraw/zinc/33/44/20/973334420.db2.gz SFLWOZLPZBJRFY-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586693 973421273 /nfs/dbraw/zinc/42/12/73/973421273.db2.gz XTSQAJWRIKUGKX-QAMKJQMISA-N 2 1 265.401 1.165 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001498118550 973693175 /nfs/dbraw/zinc/69/31/75/973693175.db2.gz RMSNPFPMQBUDMB-BBRMVZONSA-N 2 1 297.418 1.317 10 30 CDEEMP C=C(C)CC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498457418 973928037 /nfs/dbraw/zinc/92/80/37/973928037.db2.gz NJCAHPVEPGLGIJ-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498457418 973928048 /nfs/dbraw/zinc/92/80/48/973928048.db2.gz NJCAHPVEPGLGIJ-CYBMUJFWSA-N 2 1 278.400 1.594 10 30 CDEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001498526232 973967835 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C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001507327258 975417386 /nfs/dbraw/zinc/41/73/86/975417386.db2.gz IRFKUMRYLDORFH-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001401691993 975799771 /nfs/dbraw/zinc/79/97/71/975799771.db2.gz YHLFBTHSKXKEID-JTQLQIEISA-N 2 1 270.764 1.038 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001391324179 976817373 /nfs/dbraw/zinc/81/73/73/976817373.db2.gz DRBQKOUAGYQWJD-UONOGXRCSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001391324179 976817383 /nfs/dbraw/zinc/81/73/83/976817383.db2.gz DRBQKOUAGYQWJD-UONOGXRCSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001391324179 976817393 /nfs/dbraw/zinc/81/73/93/976817393.db2.gz DRBQKOUAGYQWJD-UONOGXRCSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001403458827 976967245 /nfs/dbraw/zinc/96/72/45/976967245.db2.gz NIZVQUPSSMYBGY-JOCQHMNTSA-N 2 1 287.835 1.565 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001675008223 1174059147 /nfs/dbraw/zinc/05/91/47/1174059147.db2.gz FOZWKOYATRKNRD-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001675008223 1174059154 /nfs/dbraw/zinc/05/91/54/1174059154.db2.gz FOZWKOYATRKNRD-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C=CCC[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001676386812 1174217811 /nfs/dbraw/zinc/21/78/11/1174217811.db2.gz LEVSDZFHNMZHDM-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001569920547 1170038074 /nfs/dbraw/zinc/03/80/74/1170038074.db2.gz SXTBIYLDCAJQQR-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001570676923 1170229074 /nfs/dbraw/zinc/22/90/74/1170229074.db2.gz MPDFTZVTYXGSFW-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001570736374 1170261882 /nfs/dbraw/zinc/26/18/82/1170261882.db2.gz WNWXXPIYUBPDNM-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570736374 1170261888 /nfs/dbraw/zinc/26/18/88/1170261888.db2.gz WNWXXPIYUBPDNM-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001570736374 1170261894 /nfs/dbraw/zinc/26/18/94/1170261894.db2.gz WNWXXPIYUBPDNM-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]CCC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001571322343 1170365389 /nfs/dbraw/zinc/36/53/89/1170365389.db2.gz ODLXXNIKEWTIKB-GJZGRUSLSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCOc1cccc(C[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629388569 361906144 /nfs/dbraw/zinc/90/61/44/361906144.db2.gz UHYAXZKQDMRBRY-UHFFFAOYSA-N 2 1 276.380 1.849 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000594439421 342906586 /nfs/dbraw/zinc/90/65/86/342906586.db2.gz VTOPSCASUCYWMT-UONOGXRCSA-N 2 1 278.400 1.094 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000594439421 342906588 /nfs/dbraw/zinc/90/65/88/342906588.db2.gz VTOPSCASUCYWMT-UONOGXRCSA-N 2 1 278.400 1.094 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1cccc(C#N)n1 ZINC000596425838 343311933 /nfs/dbraw/zinc/31/19/33/343311933.db2.gz WOBUQUUMZYNGOH-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cccc(C#N)n1 ZINC000596425838 343311934 /nfs/dbraw/zinc/31/19/34/343311934.db2.gz WOBUQUUMZYNGOH-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)CC1(C)C ZINC000598961865 343929993 /nfs/dbraw/zinc/92/99/93/343929993.db2.gz ZUEGXPFOEBOTDL-AWEZNQCLSA-N 2 1 264.417 1.437 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)CC2(C#N)CC2)CCO1 ZINC000599477885 344069094 /nfs/dbraw/zinc/06/90/94/344069094.db2.gz KOCCNLHHQPBOHC-LSDHHAIUSA-N 2 1 295.427 1.084 10 30 CDEEMP N#C[C@@H]1CCC[C@@H]1NC[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964630 344297755 /nfs/dbraw/zinc/29/77/55/344297755.db2.gz JQJXBNNGNQLUOO-OKZBNKHCSA-N 2 1 299.418 1.905 10 30 CDEEMP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166192 198188507 /nfs/dbraw/zinc/18/85/07/198188507.db2.gz PAJCQONYXSTJCS-SJORKVTESA-N 2 1 285.391 1.619 10 30 CDEEMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166192 198188508 /nfs/dbraw/zinc/18/85/08/198188508.db2.gz PAJCQONYXSTJCS-SJORKVTESA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166192 198188510 /nfs/dbraw/zinc/18/85/10/198188510.db2.gz PAJCQONYXSTJCS-SJORKVTESA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166192 198188511 /nfs/dbraw/zinc/18/85/11/198188511.db2.gz PAJCQONYXSTJCS-SJORKVTESA-N 2 1 285.391 1.619 10 30 CDEEMP CCCCN(C)C(NC[C@@H]1CCC[N@H+]1CCOC)=[NH+]C ZINC000073112785 360272206 /nfs/dbraw/zinc/27/22/06/360272206.db2.gz SWTSUGOXDYQMSH-AWEZNQCLSA-N 2 1 284.448 1.405 10 30 CDEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001662872741 1172606153 /nfs/dbraw/zinc/60/61/53/1172606153.db2.gz RXPJYBHVMUOREP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662872741 1172606157 /nfs/dbraw/zinc/60/61/57/1172606157.db2.gz RXPJYBHVMUOREP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001662872741 1172606167 /nfs/dbraw/zinc/60/61/67/1172606167.db2.gz RXPJYBHVMUOREP-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001663363389 1172679887 /nfs/dbraw/zinc/67/98/87/1172679887.db2.gz IFANUZGFTYMWRF-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001663363389 1172679895 /nfs/dbraw/zinc/67/98/95/1172679895.db2.gz IFANUZGFTYMWRF-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001663363389 1172679902 /nfs/dbraw/zinc/67/99/02/1172679902.db2.gz IFANUZGFTYMWRF-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299617 414623893 /nfs/dbraw/zinc/62/38/93/414623893.db2.gz SHZAKRCOTBITGH-ZIAGYGMSSA-N 2 1 250.386 1.796 10 30 CDEEMP CCC[N@H+](CC(=O)N(C)C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689065 175096093 /nfs/dbraw/zinc/09/60/93/175096093.db2.gz AQPYLZQXLMREKR-UHFFFAOYSA-N 2 1 293.436 1.359 10 30 CDEEMP CCC[N@@H+](CC(=O)N(C)C)Cc1cc(C#CC[NH3+])cs1 ZINC000043689065 175096094 /nfs/dbraw/zinc/09/60/94/175096094.db2.gz AQPYLZQXLMREKR-UHFFFAOYSA-N 2 1 293.436 1.359 10 30 CDEEMP C[N@H+](CC[C@](C)(C#N)NC1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000071190753 176068199 /nfs/dbraw/zinc/06/81/99/176068199.db2.gz TYOZCJHMRUGLIG-UKRRQHHQSA-N 2 1 264.417 1.294 10 30 CDEEMP C[N@@H+](CC[C@](C)(C#N)NC1CC1)C[C@@H]1CC[NH+](C)C1 ZINC000071190753 176068200 /nfs/dbraw/zinc/06/82/00/176068200.db2.gz TYOZCJHMRUGLIG-UKRRQHHQSA-N 2 1 264.417 1.294 10 30 CDEEMP C[NH+](CC[C@](C)(C#N)NC1CC1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190753 176068202 /nfs/dbraw/zinc/06/82/02/176068202.db2.gz TYOZCJHMRUGLIG-UKRRQHHQSA-N 2 1 264.417 1.294 10 30 CDEEMP C[NH+](CC[C@](C)(C#N)NC1CC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190753 176068203 /nfs/dbraw/zinc/06/82/03/176068203.db2.gz TYOZCJHMRUGLIG-UKRRQHHQSA-N 2 1 264.417 1.294 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001666585397 1173156428 /nfs/dbraw/zinc/15/64/28/1173156428.db2.gz XWFJUNXHDZOCHS-LBPRGKRZSA-N 2 1 264.373 1.110 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001667701759 1173311719 /nfs/dbraw/zinc/31/17/19/1173311719.db2.gz PNIHBZAJFHVYKM-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001667701759 1173311725 /nfs/dbraw/zinc/31/17/25/1173311725.db2.gz PNIHBZAJFHVYKM-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001667701759 1173311732 /nfs/dbraw/zinc/31/17/32/1173311732.db2.gz PNIHBZAJFHVYKM-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C#CC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105862823 275379799 /nfs/dbraw/zinc/37/97/99/275379799.db2.gz DVMMSEKXJDHDOW-GOSISDBHSA-N 2 1 286.419 1.997 10 30 CDEEMP C#CCC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001671810097 1173714218 /nfs/dbraw/zinc/71/42/18/1173714218.db2.gz NQGMIVNIINMKBP-MRXNPFEDSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CCC1 ZINC001673151527 1173830689 /nfs/dbraw/zinc/83/06/89/1173830689.db2.gz BWFZYRLDVIZXEF-AWEZNQCLSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001267142763 1159136299 /nfs/dbraw/zinc/13/62/99/1159136299.db2.gz VYMRNXUBIOQDSM-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262472911 330015825 /nfs/dbraw/zinc/01/58/25/330015825.db2.gz PHVQVHHDEOOEOK-CABCVRRESA-N 2 1 296.459 1.390 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001699403421 1176368651 /nfs/dbraw/zinc/36/86/51/1176368651.db2.gz XIEHXLNMZLGGEJ-KBPBESRZSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001700479162 1176969558 /nfs/dbraw/zinc/96/95/58/1176969558.db2.gz UYCOADSVROASKS-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001700479162 1176969562 /nfs/dbraw/zinc/96/95/62/1176969562.db2.gz UYCOADSVROASKS-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CCC ZINC001732631220 1160159890 /nfs/dbraw/zinc/15/98/90/1160159890.db2.gz RCEDBXMIMULQKI-LSDHHAIUSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001483512104 1160932709 /nfs/dbraw/zinc/93/27/09/1160932709.db2.gz OYQDMICSVDVQDU-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483580994 1160949970 /nfs/dbraw/zinc/94/99/70/1160949970.db2.gz WQHSMEIUXWIFPT-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001670903781 1161347317 /nfs/dbraw/zinc/34/73/17/1161347317.db2.gz RUEXKYLPHGCSNO-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP CCC[NH+]1CCC([NH2+]Cc2ccnc(C#N)c2)CC1 ZINC000068754025 519846880 /nfs/dbraw/zinc/84/68/80/519846880.db2.gz RNSVTRZDEHGCRU-UHFFFAOYSA-N 2 1 258.369 1.917 10 30 CDEEMP CC(C)CCNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000104168112 617985825 /nfs/dbraw/zinc/98/58/25/617985825.db2.gz RKWVGNABJJRMFV-CYBMUJFWSA-N 2 1 254.422 1.811 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000900908749 623642037 /nfs/dbraw/zinc/64/20/37/623642037.db2.gz GLRSSNDRUGBHFG-CVEARBPZSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000917136340 632159819 /nfs/dbraw/zinc/15/98/19/632159819.db2.gz AJTMCWSCRQZFAI-TZMCWYRMSA-N 2 1 280.416 1.029 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001691968114 1158506980 /nfs/dbraw/zinc/50/69/80/1158506980.db2.gz BPYOTVTZJJGSSD-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[C@@]1(C(=O)NCCn2cc[nH+]c2C(C)C)CCC[NH2+]1 ZINC000852861633 685375773 /nfs/dbraw/zinc/37/57/73/685375773.db2.gz YIVRNLHAWXKXJB-INIZCTEOSA-N 2 1 290.411 1.821 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001671308516 1158725442 /nfs/dbraw/zinc/72/54/42/1158725442.db2.gz GZRWKMMJUUVFQX-CABCVRRESA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCF ZINC001671308516 1158725444 /nfs/dbraw/zinc/72/54/44/1158725444.db2.gz GZRWKMMJUUVFQX-CABCVRRESA-N 2 1 295.402 1.024 10 30 CDEEMP c1cn(CCCNN=C2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000848416498 684756264 /nfs/dbraw/zinc/75/62/64/684756264.db2.gz NFXDWCUXTQTNNP-OAHLLOKOSA-N 2 1 275.400 1.867 10 30 CDEEMP COCC#CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785953 684761693 /nfs/dbraw/zinc/76/16/93/684761693.db2.gz OVOMQKMVJZEGRI-YHWZYXNKSA-N 2 1 265.357 1.007 10 30 CDEEMP COCC#CCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785953 684761696 /nfs/dbraw/zinc/76/16/96/684761696.db2.gz OVOMQKMVJZEGRI-YHWZYXNKSA-N 2 1 265.357 1.007 10 30 CDEEMP N#Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000923413756 684994721 /nfs/dbraw/zinc/99/47/21/684994721.db2.gz GUPVYRTVWJWCEB-BRWVUGGUSA-N 2 1 285.391 1.666 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876729218 685837034 /nfs/dbraw/zinc/83/70/34/685837034.db2.gz HTNAXFXTPHUWHW-TUAOUCFPSA-N 2 1 271.792 1.199 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000876737393 685987226 /nfs/dbraw/zinc/98/72/26/685987226.db2.gz SPTRZBKIDWGGHN-CQSZACIVSA-N 2 1 295.814 1.705 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001691208691 1158956035 /nfs/dbraw/zinc/95/60/35/1158956035.db2.gz GFPFWMHTYBYRAR-OAHLLOKOSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)C1CC1 ZINC001691208691 1158956042 /nfs/dbraw/zinc/95/60/42/1158956042.db2.gz GFPFWMHTYBYRAR-OAHLLOKOSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001691968114 1158506976 /nfs/dbraw/zinc/50/69/76/1158506976.db2.gz BPYOTVTZJJGSSD-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691968114 1158506974 /nfs/dbraw/zinc/50/69/74/1158506974.db2.gz BPYOTVTZJJGSSD-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC001630911659 1166242593 /nfs/dbraw/zinc/24/25/93/1166242593.db2.gz QJDPHUAXEGREDC-ZBFHGGJFSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001566587755 1168347449 /nfs/dbraw/zinc/34/74/49/1168347449.db2.gz QSRQADMBELOHIG-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001566587755 1168347455 /nfs/dbraw/zinc/34/74/55/1168347455.db2.gz QSRQADMBELOHIG-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001566587755 1168347461 /nfs/dbraw/zinc/34/74/61/1168347461.db2.gz QSRQADMBELOHIG-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001567732750 1168939035 /nfs/dbraw/zinc/93/90/35/1168939035.db2.gz DCQLXLPXIUESEA-CQSZACIVSA-N 2 1 276.384 1.158 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001567732750 1168939038 /nfs/dbraw/zinc/93/90/38/1168939038.db2.gz DCQLXLPXIUESEA-CQSZACIVSA-N 2 1 276.384 1.158 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001567735265 1168941621 /nfs/dbraw/zinc/94/16/21/1168941621.db2.gz BPHBPMNXSXJPMH-CQSZACIVSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)CC[NH+]1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001567844667 1169011471 /nfs/dbraw/zinc/01/14/71/1169011471.db2.gz XXTHEHJVSPHELP-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001568544611 1169358126 /nfs/dbraw/zinc/35/81/26/1169358126.db2.gz FGDJSHIVTBWJDW-KGLIPLIRSA-N 2 1 276.384 1.252 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCC1 ZINC001570123086 1170087405 /nfs/dbraw/zinc/08/74/05/1170087405.db2.gz JZNCBVCLGPHUFQ-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)CC[N@H+](C)CC ZINC001571412041 1170418131 /nfs/dbraw/zinc/41/81/31/1170418131.db2.gz RBOZHICFPKNZFQ-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)C1CC1 ZINC001663761283 1172757529 /nfs/dbraw/zinc/75/75/29/1172757529.db2.gz OTXHSRBOOBYURG-UHFFFAOYSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001667085544 1173232420 /nfs/dbraw/zinc/23/24/20/1173232420.db2.gz AOCHOPPBYGJCID-RBSFLKMASA-N 2 1 279.428 1.080 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001669411769 1173547600 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CDEEMP C#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700487524 1176978873 /nfs/dbraw/zinc/97/88/73/1176978873.db2.gz KZHWNOIVGIYLHU-HOCLYGCPSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001700487524 1176978878 /nfs/dbraw/zinc/97/88/78/1176978878.db2.gz KZHWNOIVGIYLHU-HOCLYGCPSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001700887624 1177180257 /nfs/dbraw/zinc/18/02/57/1177180257.db2.gz JXDAGXNSJNGJDA-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001700887624 1177180261 /nfs/dbraw/zinc/18/02/61/1177180261.db2.gz JXDAGXNSJNGJDA-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001700887624 1177180267 /nfs/dbraw/zinc/18/02/67/1177180267.db2.gz JXDAGXNSJNGJDA-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001713161686 1178405969 /nfs/dbraw/zinc/40/59/69/1178405969.db2.gz DOJAUQZTFDVEKI-TUVASFSCSA-N 2 1 295.402 1.069 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC[C@@H](C)F)C1 ZINC001713161686 1178405973 /nfs/dbraw/zinc/40/59/73/1178405973.db2.gz DOJAUQZTFDVEKI-TUVASFSCSA-N 2 1 295.402 1.069 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713310459 1178489039 /nfs/dbraw/zinc/48/90/39/1178489039.db2.gz VAWXONWIJMJZDS-UONOGXRCSA-N 2 1 267.417 1.530 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713463324 1178580757 /nfs/dbraw/zinc/58/07/57/1178580757.db2.gz YIQYZLHZPLQKCB-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713485034 1178601539 /nfs/dbraw/zinc/60/15/39/1178601539.db2.gz DZXPOKRKXZJFHE-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713485034 1178601540 /nfs/dbraw/zinc/60/15/40/1178601540.db2.gz DZXPOKRKXZJFHE-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713485034 1178601541 /nfs/dbraw/zinc/60/15/41/1178601541.db2.gz DZXPOKRKXZJFHE-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1CN(C)CCO1 ZINC001713544165 1178636137 /nfs/dbraw/zinc/63/61/37/1178636137.db2.gz HZALDNXBXWUMCD-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001713544165 1178636142 /nfs/dbraw/zinc/63/61/42/1178636142.db2.gz HZALDNXBXWUMCD-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001713544165 1178636145 /nfs/dbraw/zinc/63/61/45/1178636145.db2.gz HZALDNXBXWUMCD-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001713544165 1178636147 /nfs/dbraw/zinc/63/61/47/1178636147.db2.gz HZALDNXBXWUMCD-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001713544165 1178636150 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C=CC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714054306 1178949982 /nfs/dbraw/zinc/94/99/82/1178949982.db2.gz VAPJXBRQIBRGAP-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[NH+]1CCCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001714114905 1178979459 /nfs/dbraw/zinc/97/94/59/1178979459.db2.gz KAQZEOQVHONHIU-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001714829601 1179414685 /nfs/dbraw/zinc/41/46/85/1179414685.db2.gz KRYOLRYTFMQLKZ-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001714906511 1179447397 /nfs/dbraw/zinc/44/73/97/1179447397.db2.gz ROEGKHPWPZALSH-HOTGVXAUSA-N 2 1 293.455 1.376 10 30 CDEEMP C=CC[NH+]1CCC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001715217919 1179580264 /nfs/dbraw/zinc/58/02/64/1179580264.db2.gz RUEPXHHZNXNNDY-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001715217919 1179580268 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CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001691866707 1164289367 /nfs/dbraw/zinc/28/93/67/1164289367.db2.gz FCKACYILBCAOEV-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 ZINC001691866707 1164289376 /nfs/dbraw/zinc/28/93/76/1164289376.db2.gz FCKACYILBCAOEV-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[NH+]1CC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001671089956 1164415264 /nfs/dbraw/zinc/41/52/64/1164415264.db2.gz DYWQDEZPYDCXJY-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001671089956 1164415270 /nfs/dbraw/zinc/41/52/70/1164415270.db2.gz DYWQDEZPYDCXJY-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001671089956 1164415274 /nfs/dbraw/zinc/41/52/74/1164415274.db2.gz DYWQDEZPYDCXJY-QGZVFWFLSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001490805025 1164866239 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CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001567307089 1168051160 /nfs/dbraw/zinc/05/11/60/1168051160.db2.gz NCPJCGYVOCZWNW-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001567307089 1168051173 /nfs/dbraw/zinc/05/11/73/1168051173.db2.gz NCPJCGYVOCZWNW-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001567307089 1168051178 /nfs/dbraw/zinc/05/11/78/1168051178.db2.gz NCPJCGYVOCZWNW-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567188294 1168610364 /nfs/dbraw/zinc/61/03/64/1168610364.db2.gz KQCRQNODNSNECG-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567188294 1168610368 /nfs/dbraw/zinc/61/03/68/1168610368.db2.gz KQCRQNODNSNECG-HUUCEWRRSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001567188294 1168610372 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C=CC[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001266362615 894569854 /nfs/dbraw/zinc/56/98/54/894569854.db2.gz NMQSQPWSRIDTOK-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001266439688 894907899 /nfs/dbraw/zinc/90/78/99/894907899.db2.gz UOAUFWLUAZHHMA-DZGCQCFKSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266702090 895862863 /nfs/dbraw/zinc/86/28/63/895862863.db2.gz OUUJJHTYQSBZHM-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001266880819 896268165 /nfs/dbraw/zinc/26/81/65/896268165.db2.gz OWZPQKRFNURMMJ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001267048527 896631766 /nfs/dbraw/zinc/63/17/66/896631766.db2.gz XUUTZFLTYBEMMR-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001267283126 897462279 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/nfs/dbraw/zinc/83/10/36/971831036.db2.gz RJAPAUDFVUZVBW-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001493297239 972009978 /nfs/dbraw/zinc/00/99/78/972009978.db2.gz KHVAEIWWYHLYJW-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001493297239 972009983 /nfs/dbraw/zinc/00/99/83/972009983.db2.gz KHVAEIWWYHLYJW-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001493297239 972009986 /nfs/dbraw/zinc/00/99/86/972009986.db2.gz KHVAEIWWYHLYJW-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317176738 955291762 /nfs/dbraw/zinc/29/17/62/955291762.db2.gz DMTGLQGFKBHEJF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317176738 955291767 /nfs/dbraw/zinc/29/17/67/955291767.db2.gz DMTGLQGFKBHEJF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317176738 955291774 /nfs/dbraw/zinc/29/17/74/955291774.db2.gz DMTGLQGFKBHEJF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001491761984 955410082 /nfs/dbraw/zinc/41/00/82/955410082.db2.gz SDRXTNPUOWYLAP-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)C1CCC1 ZINC001328732962 955449621 /nfs/dbraw/zinc/44/96/21/955449621.db2.gz LIYVPZBFHOEDBZ-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001328732962 955449629 /nfs/dbraw/zinc/44/96/29/955449629.db2.gz LIYVPZBFHOEDBZ-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001328732962 955449637 /nfs/dbraw/zinc/44/96/37/955449637.db2.gz LIYVPZBFHOEDBZ-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001328859183 955516594 /nfs/dbraw/zinc/51/65/94/955516594.db2.gz KAWYHDRPSXFWBH-SSHXOBKSSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492303818 955789230 /nfs/dbraw/zinc/78/92/30/955789230.db2.gz PPWSMJXWPVJILA-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001492303818 955789233 /nfs/dbraw/zinc/78/92/33/955789233.db2.gz PPWSMJXWPVJILA-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001492303818 955789245 /nfs/dbraw/zinc/78/92/45/955789245.db2.gz PPWSMJXWPVJILA-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001493255471 955890314 /nfs/dbraw/zinc/89/03/14/955890314.db2.gz UQDLPHCYQGEJLN-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480651723 955891075 /nfs/dbraw/zinc/89/10/75/955891075.db2.gz METXIEAYPVPOTH-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001329439732 955916043 /nfs/dbraw/zinc/91/60/43/955916043.db2.gz BURITCJKTDOZTG-UKRRQHHQSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317467507 956341286 /nfs/dbraw/zinc/34/12/86/956341286.db2.gz UXGWIIFCEQMRBI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317467507 956341301 /nfs/dbraw/zinc/34/13/01/956341301.db2.gz UXGWIIFCEQMRBI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317467507 956341317 /nfs/dbraw/zinc/34/13/17/956341317.db2.gz UXGWIIFCEQMRBI-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001330610936 956515172 /nfs/dbraw/zinc/51/51/72/956515172.db2.gz UIVQFXMFWOHUMN-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001331001570 956753373 /nfs/dbraw/zinc/75/33/73/956753373.db2.gz OYULDOASONOYMB-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001331001570 956753383 /nfs/dbraw/zinc/75/33/83/956753383.db2.gz OYULDOASONOYMB-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001331001570 956753391 /nfs/dbraw/zinc/75/33/91/956753391.db2.gz OYULDOASONOYMB-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317512979 956765216 /nfs/dbraw/zinc/76/52/16/956765216.db2.gz GCOLJNAPPDTOCA-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317512979 956765226 /nfs/dbraw/zinc/76/52/26/956765226.db2.gz GCOLJNAPPDTOCA-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001316771670 957007004 /nfs/dbraw/zinc/00/70/04/957007004.db2.gz LRSJSSOEUFZTQS-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001317177399 957325496 /nfs/dbraw/zinc/32/54/96/957325496.db2.gz UOAWWVAKQDHHMH-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317177399 957325505 /nfs/dbraw/zinc/32/55/05/957325505.db2.gz UOAWWVAKQDHHMH-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@H]1CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001317177399 957325517 /nfs/dbraw/zinc/32/55/17/957325517.db2.gz UOAWWVAKQDHHMH-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001317322267 957422463 /nfs/dbraw/zinc/42/24/63/957422463.db2.gz NAZDVEXASSBZJE-OWCLPIDISA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317452944 957487148 /nfs/dbraw/zinc/48/71/48/957487148.db2.gz KCYSBCMMAGBEDL-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317452944 957487153 /nfs/dbraw/zinc/48/71/53/957487153.db2.gz KCYSBCMMAGBEDL-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317452944 957487156 /nfs/dbraw/zinc/48/71/56/957487156.db2.gz KCYSBCMMAGBEDL-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001317533717 957534285 /nfs/dbraw/zinc/53/42/85/957534285.db2.gz WWLFOHYLTZUVHL-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317533717 957534293 /nfs/dbraw/zinc/53/42/93/957534293.db2.gz WWLFOHYLTZUVHL-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001317533717 957534298 /nfs/dbraw/zinc/53/42/98/957534298.db2.gz WWLFOHYLTZUVHL-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001317807697 957671030 /nfs/dbraw/zinc/67/10/30/957671030.db2.gz AYICXSVPWUUWMW-CQSZACIVSA-N 2 1 277.412 1.096 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001317883876 957810469 /nfs/dbraw/zinc/81/04/69/957810469.db2.gz GWVUKIVJZQBAJF-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318061600 957893662 /nfs/dbraw/zinc/89/36/62/957893662.db2.gz ZMZXSHGRWKMHRM-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318061600 957893677 /nfs/dbraw/zinc/89/36/77/957893677.db2.gz ZMZXSHGRWKMHRM-KBPBESRZSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)CCc1cnc[nH]1)C1CC1 ZINC001318698451 958237708 /nfs/dbraw/zinc/23/77/08/958237708.db2.gz LCRAMUWVLASNOV-OAHLLOKOSA-N 2 1 276.384 1.403 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001319478206 958585184 /nfs/dbraw/zinc/58/51/84/958585184.db2.gz SELXGDKXNNPGAJ-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001320020229 958869507 /nfs/dbraw/zinc/86/95/07/958869507.db2.gz GZABDFHMIYRCRJ-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001320020229 958869527 /nfs/dbraw/zinc/86/95/27/958869527.db2.gz GZABDFHMIYRCRJ-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001320020229 958869537 /nfs/dbraw/zinc/86/95/37/958869537.db2.gz GZABDFHMIYRCRJ-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001320067666 958919316 /nfs/dbraw/zinc/91/93/16/958919316.db2.gz AWIDRQZSXVUNAZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320067666 958919329 /nfs/dbraw/zinc/91/93/29/958919329.db2.gz AWIDRQZSXVUNAZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320067666 958919339 /nfs/dbraw/zinc/91/93/39/958919339.db2.gz AWIDRQZSXVUNAZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1C ZINC001320694587 959332362 /nfs/dbraw/zinc/33/23/62/959332362.db2.gz QXHVDRBDKLRETE-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1CC ZINC001569343106 1169772934 /nfs/dbraw/zinc/77/29/34/1169772934.db2.gz PCTTVYYXCWRYQO-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001322998439 960397924 /nfs/dbraw/zinc/39/79/24/960397924.db2.gz AHRFXNLOCFLPKB-ARFHVFGLSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001420014251 962367252 /nfs/dbraw/zinc/36/72/52/962367252.db2.gz MALXCKFNRGRMMA-CHWSQXEVSA-N 2 1 285.819 1.129 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001445395795 966185073 /nfs/dbraw/zinc/18/50/73/966185073.db2.gz PPZDXXIGERPBMT-VXGBXAGGSA-N 2 1 273.808 1.318 10 30 CDEEMP C=CCC[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC001460886594 969559637 /nfs/dbraw/zinc/55/96/37/969559637.db2.gz OACFBRWLDJOEOD-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001496097968 972792749 /nfs/dbraw/zinc/79/27/49/972792749.db2.gz JSSRKLNKNDZXRJ-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001569651464 1169953767 /nfs/dbraw/zinc/95/37/67/1169953767.db2.gz RWKKMXMIKMWPJG-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001569651464 1169953773 /nfs/dbraw/zinc/95/37/73/1169953773.db2.gz RWKKMXMIKMWPJG-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[NH+]1CC[C@@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001569651464 1169953762 /nfs/dbraw/zinc/95/37/62/1169953762.db2.gz RWKKMXMIKMWPJG-MRXNPFEDSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001496915884 973143343 /nfs/dbraw/zinc/14/33/43/973143343.db2.gz NKWMUOKEFBMVPZ-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001498421882 973901303 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CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001393523257 977817399 /nfs/dbraw/zinc/81/73/99/977817399.db2.gz HAWLFPDWTLQYCA-KGLIPLIRSA-N 2 1 299.846 1.804 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001570740077 1170264418 /nfs/dbraw/zinc/26/44/18/1170264418.db2.gz LDOZWOACSZZRBM-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571257193 1170355650 /nfs/dbraw/zinc/35/56/50/1170355650.db2.gz MAYGWDSULURLPB-RBSFLKMASA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001571493991 1170453360 /nfs/dbraw/zinc/45/33/60/1170453360.db2.gz YDBQHEPCGTWFLD-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C[N@H+]1CCC[C@H]2CN(Cc3ccncc3C#N)CC[C@@H]21 ZINC000592073549 342663736 /nfs/dbraw/zinc/66/37/36/342663736.db2.gz GVLSZHQHIKUDSX-HOCLYGCPSA-N 2 1 270.380 1.869 10 30 CDEEMP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435768 342899130 /nfs/dbraw/zinc/89/91/30/342899130.db2.gz CUKWHMKEHYEHCF-KGLIPLIRSA-N 2 1 280.416 1.196 10 30 CDEEMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]([NH3+])CCCCC#N ZINC000594435768 342899131 /nfs/dbraw/zinc/89/91/31/342899131.db2.gz CUKWHMKEHYEHCF-KGLIPLIRSA-N 2 1 280.416 1.196 10 30 CDEEMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437770 342905999 /nfs/dbraw/zinc/90/59/99/342905999.db2.gz PFICNWILOPWIGX-RRFJBIMHSA-N 2 1 292.427 1.340 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000600720260 342244585 /nfs/dbraw/zinc/24/45/85/342244585.db2.gz XXBINQWZJUXYCT-AWEZNQCLSA-N 2 1 263.385 1.258 10 30 CDEEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCSCC#N)CCO1 ZINC000595907747 343188888 /nfs/dbraw/zinc/18/88/88/343188888.db2.gz XOLBKDOXMRWRFM-AWEZNQCLSA-N 2 1 285.457 1.676 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(C#N)cc1F ZINC000596363229 343311211 /nfs/dbraw/zinc/31/12/11/343311211.db2.gz RFKIIGQDOPAEAB-LBPRGKRZSA-N 2 1 293.390 1.776 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(C#N)cc1F ZINC000596363229 343311213 /nfs/dbraw/zinc/31/12/13/343311213.db2.gz RFKIIGQDOPAEAB-LBPRGKRZSA-N 2 1 293.390 1.776 10 30 CDEEMP C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657078 351314855 /nfs/dbraw/zinc/31/48/55/351314855.db2.gz ZYYSZONAQOFUFK-UONOGXRCSA-N 2 1 271.368 1.821 10 30 CDEEMP C[N@@H+](C[C@H](C#N)CCC#N)C[C@H]1CCc2[nH+]ccn2C1 ZINC000328657078 351314857 /nfs/dbraw/zinc/31/48/57/351314857.db2.gz ZYYSZONAQOFUFK-UONOGXRCSA-N 2 1 271.368 1.821 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)C1CC1 ZINC001660691327 1172257452 /nfs/dbraw/zinc/25/74/52/1172257452.db2.gz NSEWWQWUHJPNBK-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)C1CC1 ZINC001660691327 1172257460 /nfs/dbraw/zinc/25/74/60/1172257460.db2.gz NSEWWQWUHJPNBK-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C1CC1 ZINC001660691327 1172257470 /nfs/dbraw/zinc/25/74/70/1172257470.db2.gz NSEWWQWUHJPNBK-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)C1CC1 ZINC001660691327 1172257478 /nfs/dbraw/zinc/25/74/78/1172257478.db2.gz NSEWWQWUHJPNBK-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001661045436 1172328606 /nfs/dbraw/zinc/32/86/06/1172328606.db2.gz JLDWQLFLLHCIDF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001661045436 1172328617 /nfs/dbraw/zinc/32/86/17/1172328617.db2.gz JLDWQLFLLHCIDF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001661045436 1172328626 /nfs/dbraw/zinc/32/86/26/1172328626.db2.gz JLDWQLFLLHCIDF-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC(CC[NH3+])CC2)nn1 ZINC000655942243 412957269 /nfs/dbraw/zinc/95/72/69/412957269.db2.gz NWYFGRFAEOZGJV-UHFFFAOYSA-N 2 1 263.389 1.415 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001663040853 1172632987 /nfs/dbraw/zinc/63/29/87/1172632987.db2.gz UUTNEZLTGAOOHJ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001663040853 1172632991 /nfs/dbraw/zinc/63/29/91/1172632991.db2.gz UUTNEZLTGAOOHJ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001663040853 1172632993 /nfs/dbraw/zinc/63/29/93/1172632993.db2.gz UUTNEZLTGAOOHJ-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001663547162 1172720902 /nfs/dbraw/zinc/72/09/02/1172720902.db2.gz AMPKREHEEVAWRY-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001663547162 1172720909 /nfs/dbraw/zinc/72/09/09/1172720909.db2.gz AMPKREHEEVAWRY-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001663547162 1172720915 /nfs/dbraw/zinc/72/09/15/1172720915.db2.gz AMPKREHEEVAWRY-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001664394667 1172849652 /nfs/dbraw/zinc/84/96/52/1172849652.db2.gz FTRHIZSLHXLOFT-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP COCC[N@@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H](C)COC ZINC000043689110 175096080 /nfs/dbraw/zinc/09/60/80/175096080.db2.gz MKSWQQXCVRDWAG-ZDUSSCGKSA-N 2 1 296.436 1.542 10 30 CDEEMP CC[NH+]1CCC([N@H+](C)CCC[C@@](C)(C#N)NC)CC1 ZINC000045317130 175358443 /nfs/dbraw/zinc/35/84/43/175358443.db2.gz WBUDJBUQXBRUBX-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@@](C)(C#N)NC)CC1 ZINC000045317130 175358445 /nfs/dbraw/zinc/35/84/45/175358445.db2.gz WBUDJBUQXBRUBX-HNNXBMFYSA-N 2 1 266.433 1.684 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001667085543 1173232540 /nfs/dbraw/zinc/23/25/40/1173232540.db2.gz AOCHOPPBYGJCID-QLFBSQMISA-N 2 1 279.428 1.080 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001670275492 1173669911 /nfs/dbraw/zinc/66/99/11/1173669911.db2.gz NZPGOPARUVZMIH-CYBMUJFWSA-N 2 1 276.384 1.050 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001672863492 1173805560 /nfs/dbraw/zinc/80/55/60/1173805560.db2.gz MXKBTBVJNUCWDM-CABCVRRESA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)[C@H]1C ZINC001692214285 1159157362 /nfs/dbraw/zinc/15/73/62/1159157362.db2.gz WAQRQQPMSZVPNQ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001692214285 1159157372 /nfs/dbraw/zinc/15/73/72/1159157372.db2.gz WAQRQQPMSZVPNQ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)[C@H]1C ZINC001692214285 1159157377 /nfs/dbraw/zinc/15/73/77/1159157377.db2.gz WAQRQQPMSZVPNQ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCCC[N@H+]2C2CC2)CCO1 ZINC000262440438 330013136 /nfs/dbraw/zinc/01/31/36/330013136.db2.gz HMGVJYXYXCIKIK-OCCSQVGLSA-N 2 1 280.416 1.039 10 30 CDEEMP CC[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H]1C[C@H]1C ZINC000262759101 330029619 /nfs/dbraw/zinc/02/96/19/330029619.db2.gz FMSWKIQDSIKRMS-YRGRVCCFSA-N 2 1 284.473 1.387 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001699440884 1159643367 /nfs/dbraw/zinc/64/33/67/1159643367.db2.gz HSOFFROPCRWHFY-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699440884 1159643374 /nfs/dbraw/zinc/64/33/74/1159643374.db2.gz HSOFFROPCRWHFY-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699440884 1159643379 /nfs/dbraw/zinc/64/33/79/1159643379.db2.gz HSOFFROPCRWHFY-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001732359327 1159784712 /nfs/dbraw/zinc/78/47/12/1159784712.db2.gz BMKWEKZWUBZDRW-UONOGXRCSA-N 2 1 267.417 1.246 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268716954 1160007756 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UFVSKVGDYISUKL-CQSZACIVSA-N 2 1 265.401 1.191 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001691670862 1161487189 /nfs/dbraw/zinc/48/71/89/1161487189.db2.gz VFLDUWFUQSAKBT-OAHLLOKOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001691670862 1161487190 /nfs/dbraw/zinc/48/71/90/1161487190.db2.gz VFLDUWFUQSAKBT-OAHLLOKOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)CCC)C1 ZINC001732187188 1182842135 /nfs/dbraw/zinc/84/21/35/1182842135.db2.gz YJSAWCPMEZTUAI-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001732187188 1182842141 /nfs/dbraw/zinc/84/21/41/1182842141.db2.gz YJSAWCPMEZTUAI-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CCC)C1 ZINC001732187188 1182842146 /nfs/dbraw/zinc/84/21/46/1182842146.db2.gz YJSAWCPMEZTUAI-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP CC[C@@H](C)[NH+]1CCN(CCCC[C@](C)([NH3+])C#N)CC1 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1.627 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C)C1 ZINC001690317324 1175435313 /nfs/dbraw/zinc/43/53/13/1175435313.db2.gz GBFXZXZXAKHHGN-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876728249 693963413 /nfs/dbraw/zinc/96/34/13/693963413.db2.gz ZAUMIELEDJPYBU-TUAOUCFPSA-N 2 1 271.792 1.199 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000876967321 688332373 /nfs/dbraw/zinc/33/23/73/688332373.db2.gz FBUVVPIEUZGDBS-JSGCOSHPSA-N 2 1 299.846 1.980 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001691068482 1158880109 /nfs/dbraw/zinc/88/01/09/1158880109.db2.gz NIPBLVBZLGKXLQ-LSDHHAIUSA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001691068482 1158880118 /nfs/dbraw/zinc/88/01/18/1158880118.db2.gz NIPBLVBZLGKXLQ-LSDHHAIUSA-N 2 1 281.444 1.681 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCCNc1ccc(C)c[nH+]1 ZINC000876766418 694420017 /nfs/dbraw/zinc/42/00/17/694420017.db2.gz KAHFUAVAYFZRSD-LBPRGKRZSA-N 2 1 296.802 1.778 10 30 CDEEMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000866698499 692594364 /nfs/dbraw/zinc/59/43/64/692594364.db2.gz WOCFRAOIOLAHQP-INIZCTEOSA-N 2 1 285.391 1.554 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000854094117 692836169 /nfs/dbraw/zinc/83/61/69/692836169.db2.gz FCADHMLVFLRZTB-HNNXBMFYSA-N 2 1 294.443 1.067 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+](CC)C1 ZINC000854094117 692836170 /nfs/dbraw/zinc/83/61/70/692836170.db2.gz FCADHMLVFLRZTB-HNNXBMFYSA-N 2 1 294.443 1.067 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)N(CC)[C@H]1CC[NH+](CC)C1 ZINC000854094117 692836171 /nfs/dbraw/zinc/83/61/71/692836171.db2.gz FCADHMLVFLRZTB-HNNXBMFYSA-N 2 1 294.443 1.067 10 30 CDEEMP COC[C@@H](C)NC(=[NH2+])NCC[N@@H+](C)C1CCCCC1 ZINC000303897655 694870629 /nfs/dbraw/zinc/87/06/29/694870629.db2.gz QTHCFHFXRAIMQF-GFCCVEGCSA-N 2 1 270.421 1.190 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001670556413 1158644676 /nfs/dbraw/zinc/64/46/76/1158644676.db2.gz LFNVHRWETQYBSL-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001691347965 1159029179 /nfs/dbraw/zinc/02/91/79/1159029179.db2.gz VJHYFVOJEAKIIR-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481059935 1159507889 /nfs/dbraw/zinc/50/78/89/1159507889.db2.gz WLPPZRUJDKJYTA-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481059935 1159507893 /nfs/dbraw/zinc/50/78/93/1159507893.db2.gz WLPPZRUJDKJYTA-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481059935 1159507894 /nfs/dbraw/zinc/50/78/94/1159507894.db2.gz WLPPZRUJDKJYTA-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1 ZINC001481683998 1159876217 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1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001567415629 1168742310 /nfs/dbraw/zinc/74/23/10/1168742310.db2.gz PIABYBOOZRQQFG-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)CCCn1cc[nH+]c1C)C(C)C ZINC001568466484 1169302031 /nfs/dbraw/zinc/30/20/31/1169302031.db2.gz ZWAPSVHEVXMXDA-HNNXBMFYSA-N 2 1 290.411 1.335 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001660826813 1172284728 /nfs/dbraw/zinc/28/47/28/1172284728.db2.gz ZZSXDRSXMRNWHZ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001660826813 1172284736 /nfs/dbraw/zinc/28/47/36/1172284736.db2.gz ZZSXDRSXMRNWHZ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001660826813 1172284741 /nfs/dbraw/zinc/28/47/41/1172284741.db2.gz ZZSXDRSXMRNWHZ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=C)C ZINC001668092133 1173368320 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CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)CC(C)C ZINC001698871440 1175972588 /nfs/dbraw/zinc/97/25/88/1175972588.db2.gz STHPQRWRKLHQAJ-CVEARBPZSA-N 2 1 293.455 1.613 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)CC(C)C ZINC001698871440 1175972593 /nfs/dbraw/zinc/97/25/93/1175972593.db2.gz STHPQRWRKLHQAJ-CVEARBPZSA-N 2 1 293.455 1.613 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699310482 1176212640 /nfs/dbraw/zinc/21/26/40/1176212640.db2.gz YKQHDIKAHBURNC-MOEXGYKKSA-N 2 1 295.402 1.094 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001699482729 1176439908 /nfs/dbraw/zinc/43/99/08/1176439908.db2.gz FINBLSCJNHVAKC-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001699742801 1176600591 /nfs/dbraw/zinc/60/05/91/1176600591.db2.gz JLAQAVQTOGUGEZ-KGLIPLIRSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001699751312 1176607111 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CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725469995 1182011312 /nfs/dbraw/zinc/01/13/12/1182011312.db2.gz KKGRCGWGYKMOHP-GOEBONIOSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)C(C)(C)n1cnc(C)c1 ZINC001731249491 1182276934 /nfs/dbraw/zinc/27/69/34/1182276934.db2.gz YSDFHTXJDBVQQH-UHFFFAOYSA-N 2 1 290.411 1.388 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731271755 1182288699 /nfs/dbraw/zinc/28/86/99/1182288699.db2.gz UFFRFVXTMIQWRV-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731271755 1182288704 /nfs/dbraw/zinc/28/87/04/1182288704.db2.gz UFFRFVXTMIQWRV-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001731271755 1182288710 /nfs/dbraw/zinc/28/87/10/1182288710.db2.gz UFFRFVXTMIQWRV-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001731399237 1182360663 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CDEEMP C=C(C)C[NH2+][C@@H](CC)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001732203614 1182855105 /nfs/dbraw/zinc/85/51/05/1182855105.db2.gz QCIOFJRXABWGCP-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC001732501697 1182991346 /nfs/dbraw/zinc/99/13/46/1182991346.db2.gz VBDJNVFUYZWOPV-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001732738501 1183104388 /nfs/dbraw/zinc/10/43/88/1183104388.db2.gz NTXOGZVHCDVGOW-CYBMUJFWSA-N 2 1 276.384 1.089 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001733122153 1183297541 /nfs/dbraw/zinc/29/75/41/1183297541.db2.gz OTGOGKQEWQQWDV-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001733413414 1183425953 /nfs/dbraw/zinc/42/59/53/1183425953.db2.gz RNYSXBCPGDDQNN-DOTOQJQBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001733413414 1183425954 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1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733778483 1183530588 /nfs/dbraw/zinc/53/05/88/1183530588.db2.gz MCUDJZPXDPKJKH-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001733778483 1183530591 /nfs/dbraw/zinc/53/05/91/1183530591.db2.gz MCUDJZPXDPKJKH-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733869176 1183555054 /nfs/dbraw/zinc/55/50/54/1183555054.db2.gz YAAXPZDQCORWRZ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001733899532 1183563664 /nfs/dbraw/zinc/56/36/64/1183563664.db2.gz JILPIKVBQUTOFX-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001733899532 1183563668 /nfs/dbraw/zinc/56/36/68/1183563668.db2.gz JILPIKVBQUTOFX-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001733899532 1183563672 /nfs/dbraw/zinc/56/36/72/1183563672.db2.gz JILPIKVBQUTOFX-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001733904170 1183563740 /nfs/dbraw/zinc/56/37/40/1183563740.db2.gz ZIUSAHHNKXLSDJ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001733904170 1183563744 /nfs/dbraw/zinc/56/37/44/1183563744.db2.gz ZIUSAHHNKXLSDJ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001733904170 1183563747 /nfs/dbraw/zinc/56/37/47/1183563747.db2.gz ZIUSAHHNKXLSDJ-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001734326515 1183733295 /nfs/dbraw/zinc/73/32/95/1183733295.db2.gz GVEYSYDOLFAUSX-HZSPNIEDSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)C1)C(C)C ZINC001734554568 1183823550 /nfs/dbraw/zinc/82/35/50/1183823550.db2.gz NRLDJPRAWPAKGR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC001734554568 1183823559 /nfs/dbraw/zinc/82/35/59/1183823559.db2.gz NRLDJPRAWPAKGR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001734554568 1183823569 /nfs/dbraw/zinc/82/35/69/1183823569.db2.gz NRLDJPRAWPAKGR-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001734596664 1183839575 /nfs/dbraw/zinc/83/95/75/1183839575.db2.gz BQVOXYUWTNQTFV-UHFFFAOYSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+](C)C1CC1 ZINC000876751701 723088105 /nfs/dbraw/zinc/08/81/05/723088105.db2.gz VTIBXVCMLBZNBS-KOLCDFICSA-N 2 1 259.781 1.055 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000934473287 723357121 /nfs/dbraw/zinc/35/71/21/723357121.db2.gz ZIVXVYWTPHIBER-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CCSC(C)(C)C1 ZINC000261918439 723519747 /nfs/dbraw/zinc/51/97/47/723519747.db2.gz KCTQUNFAWJTBMW-LBPRGKRZSA-N 2 1 284.473 1.483 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C[NH+]1CCCC1 ZINC000852686506 723682053 /nfs/dbraw/zinc/68/20/53/723682053.db2.gz WFBTVPVKVBYCEJ-QLFBSQMISA-N 2 1 250.386 1.626 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C[NH+]1CCCC1 ZINC000852686506 723682055 /nfs/dbraw/zinc/68/20/55/723682055.db2.gz WFBTVPVKVBYCEJ-QLFBSQMISA-N 2 1 250.386 1.626 10 30 CDEEMP N#Cc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)C2 ZINC000925729004 723683083 /nfs/dbraw/zinc/68/30/83/723683083.db2.gz NIRZSOLIMKGBRW-HZPDHXFCSA-N 2 1 267.376 1.900 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N1CC[C@@]2(CCOC2)C1 ZINC000261941690 723072382 /nfs/dbraw/zinc/07/23/82/723072382.db2.gz DQWMFZGJMJFSSY-GOEBONIOSA-N 2 1 294.443 1.159 10 30 CDEEMP CC(C)C[N@H+]1CC[C@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000305038101 723334773 /nfs/dbraw/zinc/33/47/73/723334773.db2.gz UFFPBNSDSIQXFQ-KGLIPLIRSA-N 2 1 282.432 1.048 10 30 CDEEMP C#C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000827566711 723336459 /nfs/dbraw/zinc/33/64/59/723336459.db2.gz ZIBGEUUENPWMEF-MRXNPFEDSA-N 2 1 264.413 1.877 10 30 CDEEMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC1CC[NH2+]CC1 ZINC000852871671 723451223 /nfs/dbraw/zinc/45/12/23/723451223.db2.gz ANHDUBKDENQFLY-CVEARBPZSA-N 2 1 289.423 1.075 10 30 CDEEMP C[N@H+]1CC[C@@H]2C[NH+](C[C@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442975 723566300 /nfs/dbraw/zinc/56/63/00/723566300.db2.gz RFGKMNRQQWWWIP-QLFBSQMISA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@H+](C[C@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442975 723566308 /nfs/dbraw/zinc/56/63/08/723566308.db2.gz RFGKMNRQQWWWIP-QLFBSQMISA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@H](O)CC3(C#N)CCC3)C[C@@H]2C1 ZINC000931442975 723566309 /nfs/dbraw/zinc/56/63/09/723566309.db2.gz RFGKMNRQQWWWIP-QLFBSQMISA-N 2 1 277.412 1.315 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+](C)CC(C)(C)C ZINC001634645600 1166525146 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C=CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001567612801 1168065916 /nfs/dbraw/zinc/06/59/16/1168065916.db2.gz JXZYEZREUOFHIF-HNNXBMFYSA-N 2 1 275.396 1.523 10 30 CDEEMP C=CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001566699158 1168390892 /nfs/dbraw/zinc/39/08/92/1168390892.db2.gz DUNUMEWPWKTIKW-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567303288 1168668628 /nfs/dbraw/zinc/66/86/28/1168668628.db2.gz GMICMFHALWFLIQ-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001567303288 1168668630 /nfs/dbraw/zinc/66/86/30/1168668630.db2.gz GMICMFHALWFLIQ-CQSZACIVSA-N 2 1 290.411 1.378 10 30 CDEEMP CC#CC[N@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001266577444 895418696 /nfs/dbraw/zinc/41/86/96/895418696.db2.gz KVPFBIXYRPJXOC-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C ZINC001266577444 895418706 /nfs/dbraw/zinc/41/87/06/895418706.db2.gz KVPFBIXYRPJXOC-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001266734931 895942015 /nfs/dbraw/zinc/94/20/15/895942015.db2.gz CXCHCMCYUCBKDZ-QLFBSQMISA-N 2 1 277.412 1.121 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266734895 895942169 /nfs/dbraw/zinc/94/21/69/895942169.db2.gz BTVVQVPFQKGRFI-OKILXGFUSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(C)C ZINC001266949217 896414747 /nfs/dbraw/zinc/41/47/47/896414747.db2.gz IEMPUKFQDHQBFJ-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC(C)C ZINC001266949217 896414757 /nfs/dbraw/zinc/41/47/57/896414757.db2.gz IEMPUKFQDHQBFJ-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001267155306 896943564 /nfs/dbraw/zinc/94/35/64/896943564.db2.gz QHDPLJOFKWJZMT-GDBMZVCRSA-N 2 1 287.407 1.407 10 30 CDEEMP 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BGDGLFWACBQIIY-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1CC ZINC001268258400 901686608 /nfs/dbraw/zinc/68/66/08/901686608.db2.gz BGDGLFWACBQIIY-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481706389 901864151 /nfs/dbraw/zinc/86/41/51/901864151.db2.gz VOQIUVBPWPQAFA-KFWWJZLASA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001268696308 902975114 /nfs/dbraw/zinc/97/51/14/902975114.db2.gz MDTIJCUQFVPUDU-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001270187679 904427735 /nfs/dbraw/zinc/42/77/35/904427735.db2.gz JZHNLIUUJBJJDM-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001270421135 904623658 /nfs/dbraw/zinc/62/36/58/904623658.db2.gz AETJUCVVLNMWII-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 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10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001505625400 908091428 /nfs/dbraw/zinc/09/14/28/908091428.db2.gz JRRZQCNJGYAWIQ-KBPBESRZSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCCC[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482945014 908527878 /nfs/dbraw/zinc/52/78/78/908527878.db2.gz WARAGZMEROSSGF-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483580428 911291345 /nfs/dbraw/zinc/29/13/45/911291345.db2.gz CJKSTUNAJAEDCU-GJZGRUSLSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001483584280 911294262 /nfs/dbraw/zinc/29/42/62/911294262.db2.gz WLNDLXMQWQFLTC-CVEARBPZSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483790627 915067555 /nfs/dbraw/zinc/06/75/55/915067555.db2.gz JWQJUGYFBBEWTG-CYBMUJFWSA-N 2 1 265.401 1.143 10 30 CDEEMP C#CC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[N@H+](C)CCC ZINC001484466505 915793231 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C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001486183858 920791412 /nfs/dbraw/zinc/79/14/12/920791412.db2.gz NDXACYPUHOLQDD-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001493119248 925953556 /nfs/dbraw/zinc/95/35/56/925953556.db2.gz WDEXKYICMXFHKY-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001493119248 925953562 /nfs/dbraw/zinc/95/35/62/925953562.db2.gz WDEXKYICMXFHKY-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001488835019 926731614 /nfs/dbraw/zinc/73/16/14/926731614.db2.gz RHJMLSQIIZIGEB-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001275827980 932072428 /nfs/dbraw/zinc/07/24/28/932072428.db2.gz QETCCMBLZHJWQT-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001275827980 932072431 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C=CC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001265794568 944511411 /nfs/dbraw/zinc/51/14/11/944511411.db2.gz QXYLFZJGDIGVHS-ZIAGYGMSSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[N@@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CC1 ZINC001266171424 944733368 /nfs/dbraw/zinc/73/33/68/944733368.db2.gz ACQYBGQQQJGLJH-KRWDZBQOSA-N 2 1 291.439 1.629 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC1 ZINC001266171424 944733369 /nfs/dbraw/zinc/73/33/69/944733369.db2.gz ACQYBGQQQJGLJH-KRWDZBQOSA-N 2 1 291.439 1.629 10 30 CDEEMP C=CC[NH+](CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001266171424 944733370 /nfs/dbraw/zinc/73/33/70/944733370.db2.gz ACQYBGQQQJGLJH-KRWDZBQOSA-N 2 1 291.439 1.629 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001278405869 947654612 /nfs/dbraw/zinc/65/46/12/947654612.db2.gz QBWPAQRRVMOKRW-MRXNPFEDSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001278405869 947654621 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C=C(C)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001480486733 971751201 /nfs/dbraw/zinc/75/12/01/971751201.db2.gz OMVGGRSTLHSMFP-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001324658693 953499720 /nfs/dbraw/zinc/49/97/20/953499720.db2.gz WWMLMEXWHOUZLQ-GOEBONIOSA-N 2 1 290.411 1.991 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCOCC1 ZINC001325036384 953692442 /nfs/dbraw/zinc/69/24/42/953692442.db2.gz CQJFHPRVSCJAJV-UHFFFAOYSA-N 2 1 297.443 1.158 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001493112390 971951999 /nfs/dbraw/zinc/95/19/99/971951999.db2.gz XJSIKBICIGJFPW-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001493151692 971963026 /nfs/dbraw/zinc/96/30/26/971963026.db2.gz PGTHCKFFAKOFJX-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001325679418 954021736 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C=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001329763933 956103740 /nfs/dbraw/zinc/10/37/40/956103740.db2.gz BPDIECFNDVLZLB-HUUCEWRRSA-N 2 1 281.444 1.587 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001494048373 972166705 /nfs/dbraw/zinc/16/67/05/972166705.db2.gz NQISLCFZMNUWKJ-CQSZACIVSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317933795 957823760 /nfs/dbraw/zinc/82/37/60/957823760.db2.gz IBLXOIDOUGLVGY-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001319101893 958374885 /nfs/dbraw/zinc/37/48/85/958374885.db2.gz HVKOVXWNSXORJU-HRCADAONSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001494988416 972365016 /nfs/dbraw/zinc/36/50/16/972365016.db2.gz ZDWXPEOQGIBSRZ-ZIAGYGMSSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCCC1 ZINC001495205292 972436539 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C=C(C)[C@@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000649334337 392054501 /nfs/dbraw/zinc/05/45/01/392054501.db2.gz KYIBMXZIXGCXGG-LSDHHAIUSA-N 2 1 252.402 1.587 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663602636 1172732871 /nfs/dbraw/zinc/73/28/71/1172732871.db2.gz BSUZHOMZHABCRP-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001663602636 1172732876 /nfs/dbraw/zinc/73/28/76/1172732876.db2.gz BSUZHOMZHABCRP-CQSZACIVSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001663644367 1172737494 /nfs/dbraw/zinc/73/74/94/1172737494.db2.gz GHPDEIDUADBRSE-MRXNPFEDSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CCOCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658208195 413280406 /nfs/dbraw/zinc/28/04/06/413280406.db2.gz YQQFIVWYDWXHJY-MRXNPFEDSA-N 2 1 282.428 1.812 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690638 413317573 /nfs/dbraw/zinc/31/75/73/413317573.db2.gz CGHSXKNHPITEPV-GDBMZVCRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291932 414618308 /nfs/dbraw/zinc/61/83/08/414618308.db2.gz ATGPHWHNLGPFKI-CVEARBPZSA-N 2 1 291.439 1.485 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCCSCC1 ZINC000043684043 175091893 /nfs/dbraw/zinc/09/18/93/175091893.db2.gz NFXCMLYAONIOMA-UHFFFAOYSA-N 2 1 266.435 1.997 10 30 CDEEMP CCCC[N@H+](CC(N)=O)Cc1ccc(C#CC[NH3+])s1 ZINC000043684241 175093129 /nfs/dbraw/zinc/09/31/29/175093129.db2.gz JRWZHRDDXNOYFJ-UHFFFAOYSA-N 2 1 279.409 1.146 10 30 CDEEMP CCCC[N@@H+](CC(N)=O)Cc1ccc(C#CC[NH3+])s1 ZINC000043684241 175093130 /nfs/dbraw/zinc/09/31/30/175093130.db2.gz JRWZHRDDXNOYFJ-UHFFFAOYSA-N 2 1 279.409 1.146 10 30 CDEEMP C#CC[NH+]1CCC(N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000045692949 175382846 /nfs/dbraw/zinc/38/28/46/175382846.db2.gz DTKASKVVAZAZDL-AWEZNQCLSA-N 2 1 251.418 1.404 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000249446304 261253101 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1.270 10 30 CDEEMP CC1=CC[N@H+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000262257932 330003053 /nfs/dbraw/zinc/00/30/53/330003053.db2.gz DDECZNDCRROIKF-CQSZACIVSA-N 2 1 264.417 1.685 10 30 CDEEMP CC1=CC[N@@H+](CCNC(=[NH2+])N2CCC[C@@H](C)C2)CC1 ZINC000262257932 330003054 /nfs/dbraw/zinc/00/30/54/330003054.db2.gz DDECZNDCRROIKF-CQSZACIVSA-N 2 1 264.417 1.685 10 30 CDEEMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000528416121 333435289 /nfs/dbraw/zinc/43/52/89/333435289.db2.gz WNASWZDBRRUXDT-AWEZNQCLSA-N 2 1 265.401 1.504 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC001699642993 1176540955 /nfs/dbraw/zinc/54/09/55/1176540955.db2.gz SENFYDGHKCSVAI-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001699642993 1176540965 /nfs/dbraw/zinc/54/09/65/1176540965.db2.gz SENFYDGHKCSVAI-CYBMUJFWSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001699642993 1176540974 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CDEEMP C=CCCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001717497662 1180710558 /nfs/dbraw/zinc/71/05/58/1180710558.db2.gz HJGXSHFKXUUMSH-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001717497662 1180710568 /nfs/dbraw/zinc/71/05/68/1180710568.db2.gz HJGXSHFKXUUMSH-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[C@@H](O)C[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000923427163 618331908 /nfs/dbraw/zinc/33/19/08/618331908.db2.gz HWRPBWIRZFJBDM-HUUCEWRRSA-N 2 1 252.402 1.779 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091479 625823809 /nfs/dbraw/zinc/82/38/09/625823809.db2.gz UTFSLRSGAHUHOE-HZPDHXFCSA-N 2 1 280.412 1.565 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(CC)[C@H]1CC[N@@H+](CC)C1 ZINC000912400982 629987465 /nfs/dbraw/zinc/98/74/65/629987465.db2.gz PZKJAMPIWPNABR-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001772514630 1158535377 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C#CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000829815009 696097311 /nfs/dbraw/zinc/09/73/11/696097311.db2.gz DNZJHMINWGLNMV-HIFRSBDPSA-N 2 1 250.386 1.177 10 30 CDEEMP C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000829815009 696097316 /nfs/dbraw/zinc/09/73/16/696097316.db2.gz DNZJHMINWGLNMV-HIFRSBDPSA-N 2 1 250.386 1.177 10 30 CDEEMP C#CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000829815009 696097319 /nfs/dbraw/zinc/09/73/19/696097319.db2.gz DNZJHMINWGLNMV-HIFRSBDPSA-N 2 1 250.386 1.177 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001691097606 1158907536 /nfs/dbraw/zinc/90/75/36/1158907536.db2.gz ORLKNDGTAFMFAS-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001502796849 1160355027 /nfs/dbraw/zinc/35/50/27/1160355027.db2.gz ABPZBAUCDZXUHE-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000876713598 1165899281 /nfs/dbraw/zinc/89/92/81/1165899281.db2.gz RMHYSZUOJNVARD-OLZOCXBDSA-N 2 1 287.835 1.837 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC000876838229 1165925904 /nfs/dbraw/zinc/92/59/04/1165925904.db2.gz KDDLUPJAHALWPF-STQMWFEESA-N 2 1 294.786 1.024 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001567063284 1168540977 /nfs/dbraw/zinc/54/09/77/1168540977.db2.gz ZTXYXTIDEXJABB-CYBMUJFWSA-N 2 1 276.384 1.089 10 30 CDEEMP C#CC[N@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001567434815 1168759053 /nfs/dbraw/zinc/75/90/53/1168759053.db2.gz PMOSJVPNTRTFDD-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001567434815 1168759061 /nfs/dbraw/zinc/75/90/61/1168759061.db2.gz PMOSJVPNTRTFDD-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)Cn2c[nH+]cc2C)cc1 ZINC001568118976 1169140435 /nfs/dbraw/zinc/14/04/35/1169140435.db2.gz LDPIQTCMPKYUTA-UHFFFAOYSA-N 2 1 296.374 1.231 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569308329 1169757133 /nfs/dbraw/zinc/75/71/33/1169757133.db2.gz ZMKAPIQOZUBVMT-CVEARBPZSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569308332 1169757828 /nfs/dbraw/zinc/75/78/28/1169757828.db2.gz ZMKAPIQOZUBVMT-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001569693407 1169968711 /nfs/dbraw/zinc/96/87/11/1169968711.db2.gz GCCCSINOLQQSGR-OAHLLOKOSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001570863544 1170305481 /nfs/dbraw/zinc/30/54/81/1170305481.db2.gz HBMPFHFGDTWRGC-ZDUSSCGKSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001656994451 1171912172 /nfs/dbraw/zinc/91/21/72/1171912172.db2.gz ORKTXIPFLLQBRS-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]12 ZINC001659901274 1172143419 /nfs/dbraw/zinc/14/34/19/1172143419.db2.gz VRCQMWLIJVDSQD-BYNSBNAKSA-N 2 1 278.396 1.119 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@@H]12 ZINC001659901274 1172143425 /nfs/dbraw/zinc/14/34/25/1172143425.db2.gz VRCQMWLIJVDSQD-BYNSBNAKSA-N 2 1 278.396 1.119 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001660988249 1172315266 /nfs/dbraw/zinc/31/52/66/1172315266.db2.gz KRGXWRNSIYWJGD-KGLIPLIRSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC001660988249 1172315278 /nfs/dbraw/zinc/31/52/78/1172315278.db2.gz KRGXWRNSIYWJGD-KGLIPLIRSA-N 2 1 290.411 1.773 10 30 CDEEMP C=CC[NH+]1CCC2(C[C@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001661072647 1172331886 /nfs/dbraw/zinc/33/18/86/1172331886.db2.gz BJLSKSYPCYPKPJ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001662303035 1172524420 /nfs/dbraw/zinc/52/44/20/1172524420.db2.gz HQCXXZQPNZKHND-DOTOQJQBSA-N 2 1 299.418 1.227 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001664722245 1172897148 /nfs/dbraw/zinc/89/71/48/1172897148.db2.gz RLUIFLSDYGQLSW-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+]CCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001666227918 1173119278 /nfs/dbraw/zinc/11/92/78/1173119278.db2.gz WVNXMFSJNXAVGY-UHFFFAOYSA-N 2 1 290.411 1.596 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001671648421 1173700660 /nfs/dbraw/zinc/70/06/60/1173700660.db2.gz HHTJWKZXBSLFLP-GDBMZVCRSA-N 2 1 297.418 1.270 10 30 CDEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001691942120 1175654033 /nfs/dbraw/zinc/65/40/33/1175654033.db2.gz NTCGZKZCICUKOR-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001698574199 1175851856 /nfs/dbraw/zinc/85/18/56/1175851856.db2.gz FRLJVKZPUQLSHD-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001698574199 1175851863 /nfs/dbraw/zinc/85/18/63/1175851863.db2.gz FRLJVKZPUQLSHD-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001698574199 1175851869 /nfs/dbraw/zinc/85/18/69/1175851869.db2.gz FRLJVKZPUQLSHD-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP CC#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001698597385 1175864504 /nfs/dbraw/zinc/86/45/04/1175864504.db2.gz QCSGPIGHLPGMGV-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001698620645 1175874568 /nfs/dbraw/zinc/87/45/68/1175874568.db2.gz HHTSKXLYTNACHY-GJZGRUSLSA-N 2 1 281.444 1.920 10 30 CDEEMP CC#CC[NH2+]CCC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001698700968 1175897860 /nfs/dbraw/zinc/89/78/60/1175897860.db2.gz FALWTYPDDXZNFQ-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001698703258 1175898723 /nfs/dbraw/zinc/89/87/23/1175898723.db2.gz XEGXLJQBMNSQQQ-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCCC ZINC001699449138 1176413910 /nfs/dbraw/zinc/41/39/10/1176413910.db2.gz YDFKADQDQKIQMT-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCCC ZINC001699449138 1176413907 /nfs/dbraw/zinc/41/39/07/1176413907.db2.gz YDFKADQDQKIQMT-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCCC ZINC001699449138 1176413914 /nfs/dbraw/zinc/41/39/14/1176413914.db2.gz YDFKADQDQKIQMT-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCCC ZINC001699449138 1176413917 /nfs/dbraw/zinc/41/39/17/1176413917.db2.gz YDFKADQDQKIQMT-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)CCC1 ZINC001700157215 1176775822 /nfs/dbraw/zinc/77/58/22/1176775822.db2.gz QXXFCHPUBHGNNG-CABCVRRESA-N 2 1 291.439 1.818 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001700319494 1176848831 /nfs/dbraw/zinc/84/88/31/1176848831.db2.gz AUVLPFFNQUNAGO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700319494 1176848840 /nfs/dbraw/zinc/84/88/40/1176848840.db2.gz AUVLPFFNQUNAGO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C[C@H]1C ZINC001700319494 1176848852 /nfs/dbraw/zinc/84/88/52/1176848852.db2.gz AUVLPFFNQUNAGO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700377985 1176885252 /nfs/dbraw/zinc/88/52/52/1176885252.db2.gz ZPQMSQAURBXEPY-UHFFFAOYSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001700753437 1177115108 /nfs/dbraw/zinc/11/51/08/1177115108.db2.gz XQRHCOWGOKBTKK-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001707401316 1178017832 /nfs/dbraw/zinc/01/78/32/1178017832.db2.gz UAICZCLIBJTAKB-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001707401316 1178017839 /nfs/dbraw/zinc/01/78/39/1178017839.db2.gz UAICZCLIBJTAKB-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001713012564 1178302920 /nfs/dbraw/zinc/30/29/20/1178302920.db2.gz PWGKXHFKFYIYGR-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001713012564 1178302928 /nfs/dbraw/zinc/30/29/28/1178302928.db2.gz PWGKXHFKFYIYGR-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001713012564 1178302936 /nfs/dbraw/zinc/30/29/36/1178302936.db2.gz PWGKXHFKFYIYGR-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001713125953 1178383147 /nfs/dbraw/zinc/38/31/47/1178383147.db2.gz XEDFYGJSJSLHLJ-AWEZNQCLSA-N 2 1 276.384 1.252 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713391616 1178535794 /nfs/dbraw/zinc/53/57/94/1178535794.db2.gz HKBGDTQOQUSHNM-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001713391616 1178535799 /nfs/dbraw/zinc/53/57/99/1178535799.db2.gz HKBGDTQOQUSHNM-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713391616 1178535801 /nfs/dbraw/zinc/53/58/01/1178535801.db2.gz HKBGDTQOQUSHNM-OWCLPIDISA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001713541292 1178634278 /nfs/dbraw/zinc/63/42/78/1178634278.db2.gz KBJSBTOPGKGQHK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001713541292 1178634281 /nfs/dbraw/zinc/63/42/81/1178634281.db2.gz KBJSBTOPGKGQHK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001713541292 1178634285 /nfs/dbraw/zinc/63/42/85/1178634285.db2.gz KBJSBTOPGKGQHK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+](CCC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713548564 1178639873 /nfs/dbraw/zinc/63/98/73/1178639873.db2.gz MQULYNMBXROTAV-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001713767085 1178743538 /nfs/dbraw/zinc/74/35/38/1178743538.db2.gz YHKMIPJCWOWPPL-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001713767085 1178743546 /nfs/dbraw/zinc/74/35/46/1178743546.db2.gz YHKMIPJCWOWPPL-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001713767085 1178743548 /nfs/dbraw/zinc/74/35/48/1178743548.db2.gz YHKMIPJCWOWPPL-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001714493097 1179168611 /nfs/dbraw/zinc/16/86/11/1179168611.db2.gz HEOOPIMPTKIIEK-OAHLLOKOSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001714563367 1179219250 /nfs/dbraw/zinc/21/92/50/1179219250.db2.gz 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/nfs/dbraw/zinc/91/42/51/1180914251.db2.gz DMBZRXNNQFJKRM-GJZGRUSLSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001723939164 1181624975 /nfs/dbraw/zinc/62/49/75/1181624975.db2.gz CMFJPDLIGGSTTJ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001724963979 1181808845 /nfs/dbraw/zinc/80/88/45/1181808845.db2.gz XZQJWPCRNFMTCU-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001725056990 1181837348 /nfs/dbraw/zinc/83/73/48/1181837348.db2.gz IFIKWPRDDXBXKM-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001725115197 1181869729 /nfs/dbraw/zinc/86/97/29/1181869729.db2.gz RPJLALYWKFTXHD-UONOGXRCSA-N 2 1 290.411 1.478 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001725391183 1181986690 /nfs/dbraw/zinc/98/66/90/1181986690.db2.gz DELXEJKUYGRKKF-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 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C=CC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001266120073 944686459 /nfs/dbraw/zinc/68/64/59/944686459.db2.gz SEQOFRVZNIWBDG-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001266120073 944686462 /nfs/dbraw/zinc/68/64/62/944686462.db2.gz SEQOFRVZNIWBDG-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001266120073 944686468 /nfs/dbraw/zinc/68/64/68/944686468.db2.gz SEQOFRVZNIWBDG-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116341 944691096 /nfs/dbraw/zinc/69/10/96/944691096.db2.gz JQCSQSLXMGXKAI-HZPDHXFCSA-N 2 1 293.455 1.519 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CC1 ZINC001266145214 944713004 /nfs/dbraw/zinc/71/30/04/944713004.db2.gz NFWWDLHMWUHLGK-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001266145214 944713008 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CXJUMGLFLMMCLD-CYBMUJFWSA-N 2 1 268.405 1.102 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)CC1 ZINC000594919954 342986879 /nfs/dbraw/zinc/98/68/79/342986879.db2.gz KSVUQJAUTRUUGG-YUELXQCFSA-N 2 1 280.412 1.814 10 30 CDEEMP Cc1ccc(C#N)c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n1 ZINC000596362799 343310732 /nfs/dbraw/zinc/31/07/32/343310732.db2.gz OIYYMOLOXCLQJM-AWEZNQCLSA-N 2 1 289.427 1.946 10 30 CDEEMP Cc1ccc(C#N)c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596362799 343310734 /nfs/dbraw/zinc/31/07/34/343310734.db2.gz OIYYMOLOXCLQJM-AWEZNQCLSA-N 2 1 289.427 1.946 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1cnccc1C#N ZINC000596425232 343312063 /nfs/dbraw/zinc/31/20/63/343312063.db2.gz RECFXVUBJNPEHG-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1cnccc1C#N ZINC000596425232 343312066 /nfs/dbraw/zinc/31/20/66/343312066.db2.gz RECFXVUBJNPEHG-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C=CCN1CC[C@@H]([N@H+]2CCC3(C2)CC[NH+](C)CC3)C1=O ZINC000639754558 364747270 /nfs/dbraw/zinc/74/72/70/364747270.db2.gz CESXYEMJVRTQHN-CQSZACIVSA-N 2 1 277.412 1.191 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001661817819 1172450749 /nfs/dbraw/zinc/45/07/49/1172450749.db2.gz CBAJEPFEJHVMBU-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCn1cc(C[NH2+]C[C@H]2CC[N@H+](CC=C)C2)c(C)n1 ZINC000055211641 374300314 /nfs/dbraw/zinc/30/03/14/374300314.db2.gz JQDSISWCNPCQJZ-OAHLLOKOSA-N 2 1 274.412 1.975 10 30 CDEEMP C=CCn1cc(C[NH2+]C[C@H]2CC[N@@H+](CC=C)C2)c(C)n1 ZINC000055211641 374300317 /nfs/dbraw/zinc/30/03/17/374300317.db2.gz JQDSISWCNPCQJZ-OAHLLOKOSA-N 2 1 274.412 1.975 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001662334992 1172532922 /nfs/dbraw/zinc/53/29/22/1172532922.db2.gz QYGXETXCCGWBSI-LBPRGKRZSA-N 2 1 292.383 1.164 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335589 412903296 /nfs/dbraw/zinc/90/32/96/412903296.db2.gz ORPPPTIAXOXDKR-CYBMUJFWSA-N 2 1 275.400 1.185 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662754963 413437564 /nfs/dbraw/zinc/43/75/64/413437564.db2.gz WLLKTMXWWMSFEN-HEHGZKQESA-N 2 1 277.412 1.426 10 30 CDEEMP Cn1cc(C[N@H+](C)Cc2cc(C#CC[NH3+])cs2)cn1 ZINC000043689012 175095259 /nfs/dbraw/zinc/09/52/59/175095259.db2.gz SCVOEUYKCLMBMS-UHFFFAOYSA-N 2 1 274.393 1.424 10 30 CDEEMP Cn1cc(C[N@@H+](C)Cc2cc(C#CC[NH3+])cs2)cn1 ZINC000043689012 175095261 /nfs/dbraw/zinc/09/52/61/175095261.db2.gz SCVOEUYKCLMBMS-UHFFFAOYSA-N 2 1 274.393 1.424 10 30 CDEEMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689079 175095734 /nfs/dbraw/zinc/09/57/34/175095734.db2.gz UNZHJZPKDCALFK-DGCLKSJQSA-N 2 1 291.420 1.144 10 30 CDEEMP N#CCCOCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339006018 262580201 /nfs/dbraw/zinc/58/02/01/262580201.db2.gz NQZXQWKZQABEGX-OAHLLOKOSA-N 2 1 265.401 1.724 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339006018 262580203 /nfs/dbraw/zinc/58/02/03/262580203.db2.gz NQZXQWKZQABEGX-OAHLLOKOSA-N 2 1 265.401 1.724 10 30 CDEEMP Cc1nccc(N2CC[NH+]([C@@H]3CC[C@@H](C#N)C3)CC2)n1 ZINC000294638173 263165443 /nfs/dbraw/zinc/16/54/43/263165443.db2.gz PTPLZRYSDSZWIT-ZIAGYGMSSA-N 2 1 271.368 1.599 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001667344543 1173256311 /nfs/dbraw/zinc/25/63/11/1173256311.db2.gz DHYRANGVAQHSRA-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001667520048 1173279739 /nfs/dbraw/zinc/27/97/39/1173279739.db2.gz SRPUGUNEOAKZCZ-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001667520048 1173279744 /nfs/dbraw/zinc/27/97/44/1173279744.db2.gz SRPUGUNEOAKZCZ-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001668151868 1173374746 /nfs/dbraw/zinc/37/47/46/1173374746.db2.gz BVPVPNCRDMDCLK-OAHLLOKOSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001669838039 1173617821 /nfs/dbraw/zinc/61/78/21/1173617821.db2.gz GROZPFYAFRIHMW-GFCCVEGCSA-N 2 1 294.399 1.362 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001669838039 1173617824 /nfs/dbraw/zinc/61/78/24/1173617824.db2.gz GROZPFYAFRIHMW-GFCCVEGCSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001669877111 1173622831 /nfs/dbraw/zinc/62/28/31/1173622831.db2.gz CAJPQIQAIHMHJR-ZIAGYGMSSA-N 2 1 269.433 1.585 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669887123 1173624106 /nfs/dbraw/zinc/62/41/06/1173624106.db2.gz AOXCJRUVRUCTNT-CQSZACIVSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001669887123 1173624109 /nfs/dbraw/zinc/62/41/09/1173624109.db2.gz AOXCJRUVRUCTNT-CQSZACIVSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001731806475 1159345186 /nfs/dbraw/zinc/34/51/86/1159345186.db2.gz ABLMBPIFFPEKSE-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001699742803 1176600703 /nfs/dbraw/zinc/60/07/03/1176600703.db2.gz JLAQAVQTOGUGEZ-ZIAGYGMSSA-N 2 1 267.417 1.482 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001268427560 1159935391 /nfs/dbraw/zinc/93/53/91/1159935391.db2.gz FLSDPTMICAZFRN-HNNXBMFYSA-N 2 1 287.407 1.236 10 30 CDEEMP C#CC[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001268427560 1159935395 /nfs/dbraw/zinc/93/53/95/1159935395.db2.gz FLSDPTMICAZFRN-HNNXBMFYSA-N 2 1 287.407 1.236 10 30 CDEEMP C=CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001700275163 1176828539 /nfs/dbraw/zinc/82/85/39/1176828539.db2.gz RNVUSPXZUPJHAA-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320070 1160899058 /nfs/dbraw/zinc/89/90/58/1160899058.db2.gz QUXRAGOVUFTMFI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483320070 1160899063 /nfs/dbraw/zinc/89/90/63/1160899063.db2.gz QUXRAGOVUFTMFI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483320070 1160899065 /nfs/dbraw/zinc/89/90/65/1160899065.db2.gz QUXRAGOVUFTMFI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001671695191 1161402108 /nfs/dbraw/zinc/40/21/08/1161402108.db2.gz ZWHTWCIIVCWZAZ-INIZCTEOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671695191 1161402112 /nfs/dbraw/zinc/40/21/12/1161402112.db2.gz ZWHTWCIIVCWZAZ-INIZCTEOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001671695191 1161402113 /nfs/dbraw/zinc/40/21/13/1161402113.db2.gz ZWHTWCIIVCWZAZ-INIZCTEOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714547057 1179203391 /nfs/dbraw/zinc/20/33/91/1179203391.db2.gz DZNOPYZUTUUZRN-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714547057 1179203396 /nfs/dbraw/zinc/20/33/96/1179203396.db2.gz DZNOPYZUTUUZRN-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714547057 1179203404 /nfs/dbraw/zinc/20/34/04/1179203404.db2.gz DZNOPYZUTUUZRN-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001688919002 1175066975 /nfs/dbraw/zinc/06/69/75/1175066975.db2.gz TZLBKEPIQYOGFR-OWCLPIDISA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001690278313 1175421833 /nfs/dbraw/zinc/42/18/33/1175421833.db2.gz DBZMVOKWVQHTIN-KKUMJFAQSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218755 613746043 /nfs/dbraw/zinc/74/60/43/613746043.db2.gz YYVXXHGXGUPCHO-ZIAGYGMSSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218755 613746047 /nfs/dbraw/zinc/74/60/47/613746047.db2.gz YYVXXHGXGUPCHO-ZIAGYGMSSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218755 613746049 /nfs/dbraw/zinc/74/60/49/613746049.db2.gz YYVXXHGXGUPCHO-ZIAGYGMSSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000939237600 613869194 /nfs/dbraw/zinc/86/91/94/613869194.db2.gz WDWQUCITOCBSCZ-UONOGXRCSA-N 2 1 290.411 1.629 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926491673 617899162 /nfs/dbraw/zinc/89/91/62/617899162.db2.gz YWWZSAPGSZPLKW-HOTGVXAUSA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C1CC1)[C@H]1CCCOC1 ZINC000926491673 617899166 /nfs/dbraw/zinc/89/91/66/617899166.db2.gz YWWZSAPGSZPLKW-HOTGVXAUSA-N 2 1 264.413 1.736 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000900994102 623810904 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C=C(C)CC[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001698862158 1159133704 /nfs/dbraw/zinc/13/37/04/1159133704.db2.gz VIJLYRMZYRZAAN-AWEZNQCLSA-N 2 1 269.433 1.729 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001566461380 1168287489 /nfs/dbraw/zinc/28/74/89/1168287489.db2.gz XYASOCPHYDNKNW-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755401 1168409280 /nfs/dbraw/zinc/40/92/80/1168409280.db2.gz GCRVVKVGRHGLCP-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001567336283 1168688501 /nfs/dbraw/zinc/68/85/01/1168688501.db2.gz VDIOWYTUWWGWRT-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001567336283 1168688508 /nfs/dbraw/zinc/68/85/08/1168688508.db2.gz VDIOWYTUWWGWRT-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001567336283 1168688513 /nfs/dbraw/zinc/68/85/13/1168688513.db2.gz 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C=CC[NH+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001714867249 1179428816 /nfs/dbraw/zinc/42/88/16/1179428816.db2.gz NMCCZHCESKUSQU-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714867249 1179428819 /nfs/dbraw/zinc/42/88/19/1179428819.db2.gz NMCCZHCESKUSQU-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714867249 1179428821 /nfs/dbraw/zinc/42/88/21/1179428821.db2.gz NMCCZHCESKUSQU-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714912526 1179450218 /nfs/dbraw/zinc/45/02/18/1179450218.db2.gz GHJBBPIEEJAUQF-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001715023659 1179515026 /nfs/dbraw/zinc/51/50/26/1179515026.db2.gz PLNXHQACKHRENB-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001715400487 1179657299 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C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001733227315 1183353424 /nfs/dbraw/zinc/35/34/24/1183353424.db2.gz WYMOMHUCVNFPMS-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001733227315 1183353430 /nfs/dbraw/zinc/35/34/30/1183353430.db2.gz WYMOMHUCVNFPMS-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001733378533 1183413168 /nfs/dbraw/zinc/41/31/68/1183413168.db2.gz AETJUCVVLNMWII-HZPDHXFCSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001733410669 1183424659 /nfs/dbraw/zinc/42/46/59/1183424659.db2.gz JDLLJFOYLGARLD-ZBFHGGJFSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001733469235 1183440839 /nfs/dbraw/zinc/44/08/39/1183440839.db2.gz VRHXPRVNUDGXIB-INIZCTEOSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001733469235 1183440841 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C=CC[N@H+](C)C[C@H]1CCCN1C(=O)Cn1ccnc1C ZINC001733938589 1183575124 /nfs/dbraw/zinc/57/51/24/1183575124.db2.gz IVMGWMVZQZMKBM-CQSZACIVSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001733938589 1183575128 /nfs/dbraw/zinc/57/51/28/1183575128.db2.gz IVMGWMVZQZMKBM-CQSZACIVSA-N 2 1 276.384 1.300 10 30 CDEEMP C=C(C)C[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734117127 1183665589 /nfs/dbraw/zinc/66/55/89/1183665589.db2.gz MNKKYFYCIYLJAU-ZDUSSCGKSA-N 2 1 279.428 1.483 10 30 CDEEMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852869668 726956887 /nfs/dbraw/zinc/95/68/87/726956887.db2.gz JVSZQERYFURXNM-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746990 727086123 /nfs/dbraw/zinc/08/61/23/727086123.db2.gz GGLJKPCDALNKKX-HNNXBMFYSA-N 2 1 289.379 1.711 10 30 CDEEMP C=CC[C@@H](C(=O)OC)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746990 727086125 /nfs/dbraw/zinc/08/61/25/727086125.db2.gz GGLJKPCDALNKKX-HNNXBMFYSA-N 2 1 289.379 1.711 10 30 CDEEMP C[N@H+]1CCCN(CCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000104183165 727363194 /nfs/dbraw/zinc/36/31/94/727363194.db2.gz YVPFUXSDUMVNIY-UHFFFAOYSA-N 2 1 295.475 1.251 10 30 CDEEMP CN1CCC[N@H+](CCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000104183165 727363196 /nfs/dbraw/zinc/36/31/96/727363196.db2.gz YVPFUXSDUMVNIY-UHFFFAOYSA-N 2 1 295.475 1.251 10 30 CDEEMP CN1CCC[N@@H+](CCCNC(=[NH2+])NC2CCCCC2)CC1 ZINC000104183165 727363199 /nfs/dbraw/zinc/36/31/99/727363199.db2.gz YVPFUXSDUMVNIY-UHFFFAOYSA-N 2 1 295.475 1.251 10 30 CDEEMP C=CCOCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784813 727443951 /nfs/dbraw/zinc/44/39/51/727443951.db2.gz MPZVLGXSCONPCU-YHWZYXNKSA-N 2 1 267.373 1.560 10 30 CDEEMP C=CCOCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784813 727443952 /nfs/dbraw/zinc/44/39/52/727443952.db2.gz MPZVLGXSCONPCU-YHWZYXNKSA-N 2 1 267.373 1.560 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCCSC ZINC000304755780 728098571 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C=C(C)C[NH+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914161 1168072515 /nfs/dbraw/zinc/07/25/15/1168072515.db2.gz AADZTNNCRAUCOM-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001566516681 1168318465 /nfs/dbraw/zinc/31/84/65/1168318465.db2.gz URIKRSHDUVRCHZ-UHFFFAOYSA-N 2 1 253.390 1.096 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001566825798 1168433278 /nfs/dbraw/zinc/43/32/78/1168433278.db2.gz BEZAROFWUVHQOW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001566825798 1168433280 /nfs/dbraw/zinc/43/32/80/1168433280.db2.gz BEZAROFWUVHQOW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001566825798 1168433282 /nfs/dbraw/zinc/43/32/82/1168433282.db2.gz BEZAROFWUVHQOW-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001566871389 1168453357 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C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272566620 913454549 /nfs/dbraw/zinc/45/45/49/913454549.db2.gz ZZJOICJFLXIUFS-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001266280619 894084408 /nfs/dbraw/zinc/08/44/08/894084408.db2.gz MCTZRIMCWMMFSA-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001266280619 894084427 /nfs/dbraw/zinc/08/44/27/894084427.db2.gz MCTZRIMCWMMFSA-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001266280619 894084446 /nfs/dbraw/zinc/08/44/46/894084446.db2.gz MCTZRIMCWMMFSA-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)CC[NH+]1CCCCC1 ZINC001266440609 894909810 /nfs/dbraw/zinc/90/98/10/894909810.db2.gz ZSRHUVKTLGJSAE-UHFFFAOYSA-N 2 1 279.428 1.324 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266545635 895302010 /nfs/dbraw/zinc/30/20/10/895302010.db2.gz XTUOCHAPKATNKQ-JYJNAYRXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267303719 897533873 /nfs/dbraw/zinc/53/38/73/897533873.db2.gz AHCQHRIVIKCEJV-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001481121018 898930573 /nfs/dbraw/zinc/93/05/73/898930573.db2.gz RDRQWAQJGDCXNH-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001481121018 898930578 /nfs/dbraw/zinc/93/05/78/898930578.db2.gz RDRQWAQJGDCXNH-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001481121018 898930585 /nfs/dbraw/zinc/93/05/85/898930585.db2.gz RDRQWAQJGDCXNH-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001496366386 899921935 /nfs/dbraw/zinc/92/19/35/899921935.db2.gz BVNJBSQQMHHZRC-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001481768299 902100729 /nfs/dbraw/zinc/10/07/29/902100729.db2.gz NFYUXBFZABPVGO-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001481768299 902100737 /nfs/dbraw/zinc/10/07/37/902100737.db2.gz NFYUXBFZABPVGO-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001481768299 902100741 /nfs/dbraw/zinc/10/07/41/902100741.db2.gz NFYUXBFZABPVGO-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001268648978 902892127 /nfs/dbraw/zinc/89/21/27/902892127.db2.gz AQPFNKSGTXIMNI-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001269629087 903995406 /nfs/dbraw/zinc/99/54/06/903995406.db2.gz ARMUTQJJSLXBCP-GRDNDAEWSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001270071277 904324559 /nfs/dbraw/zinc/32/45/59/904324559.db2.gz QRTHSUNKLKLAQR-QGZVFWFLSA-N 2 1 299.418 1.510 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001270840370 905126850 /nfs/dbraw/zinc/12/68/50/905126850.db2.gz NNAUYXRKEZTPET-HOCLYGCPSA-N 2 1 279.428 1.342 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482392892 905289637 /nfs/dbraw/zinc/28/96/37/905289637.db2.gz JXPGFXFBKVGMAB-CVEARBPZSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001482499405 906675220 /nfs/dbraw/zinc/67/52/20/906675220.db2.gz QAXRBZVGTQGLSG-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482831290 908410382 /nfs/dbraw/zinc/41/03/82/908410382.db2.gz JSMQYEYJKJKNKK-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482865406 908443826 /nfs/dbraw/zinc/44/38/26/908443826.db2.gz ODLNQPJJOVXPHA-KKUMJFAQSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001482899491 908465508 /nfs/dbraw/zinc/46/55/08/908465508.db2.gz QICORTMCZZKVDI-VXGBXAGGSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001483781980 915062071 /nfs/dbraw/zinc/06/20/71/915062071.db2.gz WXPBBHVKOCOPOF-UHFFFAOYSA-N 2 1 253.390 1.143 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001484910899 916263242 /nfs/dbraw/zinc/26/32/42/916263242.db2.gz YLCNVHDUYDHLMV-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485387101 916938764 /nfs/dbraw/zinc/93/87/64/916938764.db2.gz DAQSDWMKTALCPT-GDBMZVCRSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001485387101 916938769 /nfs/dbraw/zinc/93/87/69/916938769.db2.gz DAQSDWMKTALCPT-GDBMZVCRSA-N 2 1 289.423 1.912 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001485740213 917235186 /nfs/dbraw/zinc/23/51/86/917235186.db2.gz JFVVQPWSQXHONS-CQSZACIVSA-N 2 1 290.411 1.514 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001568398209 1169272165 /nfs/dbraw/zinc/27/21/65/1169272165.db2.gz QNQUJCIZXWMFBY-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001489213250 926830067 /nfs/dbraw/zinc/83/00/67/926830067.db2.gz PWWDRAIIBKTSDY-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)C[NH+](C)CCOCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001489213250 926830075 /nfs/dbraw/zinc/83/00/75/926830075.db2.gz PWWDRAIIBKTSDY-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001489331255 926876858 /nfs/dbraw/zinc/87/68/58/926876858.db2.gz QSXKCOHIDXMFEV-HNNXBMFYSA-N 2 1 291.439 1.581 10 30 CDEEMP C#CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000852206389 927740724 /nfs/dbraw/zinc/74/07/24/927740724.db2.gz IVZZZULAYYSVQV-LSDHHAIUSA-N 2 1 252.402 1.423 10 30 CDEEMP C#CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852206389 927740736 /nfs/dbraw/zinc/74/07/36/927740736.db2.gz IVZZZULAYYSVQV-LSDHHAIUSA-N 2 1 252.402 1.423 10 30 CDEEMP C#CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000852206389 927740750 /nfs/dbraw/zinc/74/07/50/927740750.db2.gz IVZZZULAYYSVQV-LSDHHAIUSA-N 2 1 252.402 1.423 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)CCCn1ccnc1 ZINC001568506220 1169337163 /nfs/dbraw/zinc/33/71/63/1169337163.db2.gz GCTQMDZUUIANRR-UHFFFAOYSA-N 2 1 276.384 1.077 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001274720620 931557993 /nfs/dbraw/zinc/55/79/93/931557993.db2.gz ZSMYMYOLVBCFLV-BFHYXJOUSA-N 2 1 267.417 1.387 10 30 CDEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001276146652 932566165 /nfs/dbraw/zinc/56/61/65/932566165.db2.gz HQJCAZNRHMRRNG-JKSUJKDBSA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001276686885 940698594 /nfs/dbraw/zinc/69/85/94/940698594.db2.gz NWDHRLHEDGQYNG-UKRRQHHQSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001280263883 942427018 /nfs/dbraw/zinc/42/70/18/942427018.db2.gz OBEHSAIRUMKUCA-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001281666128 942607306 /nfs/dbraw/zinc/60/73/06/942607306.db2.gz WDKYUPAGKRSKPI-HUUCEWRRSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001282561656 942730408 /nfs/dbraw/zinc/73/04/08/942730408.db2.gz HFEMMTSSUHNLPQ-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001265414238 944376230 /nfs/dbraw/zinc/37/62/30/944376230.db2.gz FMKYVYZDRMAGPU-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)CCC ZINC001265414238 944376218 /nfs/dbraw/zinc/37/62/18/944376218.db2.gz FMKYVYZDRMAGPU-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001265414238 944376225 /nfs/dbraw/zinc/37/62/25/944376225.db2.gz FMKYVYZDRMAGPU-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001265414238 944376234 /nfs/dbraw/zinc/37/62/34/944376234.db2.gz FMKYVYZDRMAGPU-GASCZTMLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001265674051 944465493 /nfs/dbraw/zinc/46/54/93/944465493.db2.gz QMMANGADUYIVNM-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001266015451 944632855 /nfs/dbraw/zinc/63/28/55/944632855.db2.gz FBFJGZQMLVKBEO-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001266120123 944692224 /nfs/dbraw/zinc/69/22/24/944692224.db2.gz UEMMPUCQTNSMDH-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001279045312 948636698 /nfs/dbraw/zinc/63/66/98/948636698.db2.gz KNMOZKFVNKHSQU-HIFRSBDPSA-N 2 1 288.395 1.041 10 30 CDEEMP CC#CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[N@H+](C)CC)CC1 ZINC001479987548 971525339 /nfs/dbraw/zinc/52/53/39/971525339.db2.gz ZXLZCYGTLLWDMD-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001480022226 971543175 /nfs/dbraw/zinc/54/31/75/971543175.db2.gz WBLLQBCRJDFSGT-FVQBIDKESA-N 2 1 293.455 1.777 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001278520303 949691503 /nfs/dbraw/zinc/69/15/03/949691503.db2.gz DLOVGCAGHLWWED-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001480158272 971606929 /nfs/dbraw/zinc/60/69/29/971606929.db2.gz WZHPPQIXQZRPSK-FZKCQIBNSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C ZINC001325920733 954142505 /nfs/dbraw/zinc/14/25/05/954142505.db2.gz MBNRJSKYCJXDTA-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C ZINC001492128885 955640529 /nfs/dbraw/zinc/64/05/29/955640529.db2.gz HWXQAJADOIRIOV-CYBMUJFWSA-N 2 1 255.406 1.387 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329150620 955719989 /nfs/dbraw/zinc/71/99/89/955719989.db2.gz YNNPHKRLBWHEDY-QWHCGFSZSA-N 2 1 278.400 1.641 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001494053554 972168121 /nfs/dbraw/zinc/16/81/21/972168121.db2.gz CZBVWSQQCUNBAL-CABCVRRESA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001330699972 956575047 /nfs/dbraw/zinc/57/50/47/956575047.db2.gz IIMVSUKHTJFVHT-RBSFLKMASA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001317103986 956960897 /nfs/dbraw/zinc/96/08/97/956960897.db2.gz CFRXBKWUIKHUOQ-APIJFGDWSA-N 2 1 279.428 1.672 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001494485299 972240112 /nfs/dbraw/zinc/24/01/12/972240112.db2.gz RJWBYJVCXHXSDO-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001331473458 957088263 /nfs/dbraw/zinc/08/82/63/957088263.db2.gz FRTMNISUPKNCRP-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001316902737 957108996 /nfs/dbraw/zinc/10/89/96/957108996.db2.gz CTXMMRCMWUIJAI-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001316902737 957109005 /nfs/dbraw/zinc/10/90/05/957109005.db2.gz CTXMMRCMWUIJAI-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001316902737 957109013 /nfs/dbraw/zinc/10/90/13/957109013.db2.gz CTXMMRCMWUIJAI-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001332205575 957476307 /nfs/dbraw/zinc/47/63/07/957476307.db2.gz KVCGXHYVWRAASI-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332205575 957476308 /nfs/dbraw/zinc/47/63/08/957476308.db2.gz KVCGXHYVWRAASI-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@@H]1C ZINC001332205575 957476310 /nfs/dbraw/zinc/47/63/10/957476310.db2.gz KVCGXHYVWRAASI-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CC)C1 ZINC001494918828 972335798 /nfs/dbraw/zinc/33/57/98/972335798.db2.gz MVJSESLRJBWTJL-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CC)C1 ZINC001494918828 972335799 /nfs/dbraw/zinc/33/57/99/972335799.db2.gz MVJSESLRJBWTJL-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)CC[N@@H+](C)CC)C1 ZINC001494918828 972335802 /nfs/dbraw/zinc/33/58/02/972335802.db2.gz MVJSESLRJBWTJL-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001494988413 972364100 /nfs/dbraw/zinc/36/41/00/972364100.db2.gz ZDWXPEOQGIBSRZ-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001319539722 958619711 /nfs/dbraw/zinc/61/97/11/958619711.db2.gz HVMFPNWUAQYBLP-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320068658 958918897 /nfs/dbraw/zinc/91/88/97/958918897.db2.gz LCYFQIXTEMBXQA-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC=C ZINC001320755164 959372652 /nfs/dbraw/zinc/37/26/52/959372652.db2.gz CLFVZXDWHRPARG-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCC=C ZINC001320755164 959372663 /nfs/dbraw/zinc/37/26/63/959372663.db2.gz CLFVZXDWHRPARG-HNNXBMFYSA-N 2 1 277.412 1.098 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001321334518 959729132 /nfs/dbraw/zinc/72/91/32/959729132.db2.gz AWGUTEGXIVKKAT-ZRUQZJFASA-N 2 1 265.401 1.166 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001495278595 972463554 /nfs/dbraw/zinc/46/35/54/972463554.db2.gz WWOTUUCWDXOCRY-YOEHRIQHSA-N 2 1 293.455 1.779 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001322192182 960126611 /nfs/dbraw/zinc/12/66/11/960126611.db2.gz FDOWGOKYUDUUMZ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322192182 960126619 /nfs/dbraw/zinc/12/66/19/960126619.db2.gz FDOWGOKYUDUUMZ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001322192182 960126622 /nfs/dbraw/zinc/12/66/22/960126622.db2.gz FDOWGOKYUDUUMZ-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001322373737 960197891 /nfs/dbraw/zinc/19/78/91/960197891.db2.gz ZXBSBWXCMKVWKU-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC001341652626 963496995 /nfs/dbraw/zinc/49/69/95/963496995.db2.gz WALOHOPGDXZDHW-UKRRQHHQSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001448773486 967250899 /nfs/dbraw/zinc/25/08/99/967250899.db2.gz OUHFXBDDVQQDIL-OLZOCXBDSA-N 2 1 287.835 1.517 10 30 CDEEMP C=CC[N@@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1CC ZINC001448872745 967287145 /nfs/dbraw/zinc/28/71/45/967287145.db2.gz LRPUVAMQHWWEIE-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CC[NH+]1CC ZINC001448872745 967287155 /nfs/dbraw/zinc/28/71/55/967287155.db2.gz LRPUVAMQHWWEIE-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[N@@H+]1CC ZINC001448872745 967287164 /nfs/dbraw/zinc/28/71/64/967287164.db2.gz LRPUVAMQHWWEIE-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)[C@@H]1CC[N@H+]1CC ZINC001448872745 967287173 /nfs/dbraw/zinc/28/71/73/967287173.db2.gz LRPUVAMQHWWEIE-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(C#N)ccn1 ZINC001459887126 969457257 /nfs/dbraw/zinc/45/72/57/969457257.db2.gz QPTSHLJZTGFYLH-UHFFFAOYSA-N 2 1 287.411 1.023 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001495744088 972619648 /nfs/dbraw/zinc/61/96/48/972619648.db2.gz VVYSXVRKAMKWFE-JSGCOSHPSA-N 2 1 290.411 1.282 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496361023 972896797 /nfs/dbraw/zinc/89/67/97/972896797.db2.gz UVWFRXAMSXTODD-LSDHHAIUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001497502313 973368460 /nfs/dbraw/zinc/36/84/60/973368460.db2.gz JMDQHXYEOAZWHZ-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001497502313 973368464 /nfs/dbraw/zinc/36/84/64/973368464.db2.gz JMDQHXYEOAZWHZ-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C ZINC001499904487 974330410 /nfs/dbraw/zinc/33/04/10/974330410.db2.gz BYSLPLZKTMEVLQ-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501091134 974531185 /nfs/dbraw/zinc/53/11/85/974531185.db2.gz LFUSTKKKDXOXBS-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001505445984 974881618 /nfs/dbraw/zinc/88/16/18/974881618.db2.gz BDSIKGCPSYMUPP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505445984 974881621 /nfs/dbraw/zinc/88/16/21/974881621.db2.gz BDSIKGCPSYMUPP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505445984 974881625 /nfs/dbraw/zinc/88/16/25/974881625.db2.gz BDSIKGCPSYMUPP-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001505640079 974947074 /nfs/dbraw/zinc/94/70/74/974947074.db2.gz AWWVFOCPNVTWCM-RYUDHWBXSA-N 2 1 294.399 1.409 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001506557810 975179322 /nfs/dbraw/zinc/17/93/22/975179322.db2.gz KDCZJLPKPSUFIG-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001507089378 975332080 /nfs/dbraw/zinc/33/20/80/975332080.db2.gz MUGFTXNNIKYGCV-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001507292904 975400579 /nfs/dbraw/zinc/40/05/79/975400579.db2.gz MSXWWMFVZQIABC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001508106028 975612982 /nfs/dbraw/zinc/61/29/82/975612982.db2.gz NUOWKWSOEJHTDH-UYSNPLJNSA-N 2 1 291.439 1.462 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001404103141 977336004 /nfs/dbraw/zinc/33/60/04/977336004.db2.gz NSDYNFCQBLRKFW-ZDUSSCGKSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001404103141 977336008 /nfs/dbraw/zinc/33/60/08/977336008.db2.gz NSDYNFCQBLRKFW-ZDUSSCGKSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001404103141 977336014 /nfs/dbraw/zinc/33/60/14/977336014.db2.gz NSDYNFCQBLRKFW-ZDUSSCGKSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001404103141 977336021 /nfs/dbraw/zinc/33/60/21/977336021.db2.gz NSDYNFCQBLRKFW-ZDUSSCGKSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001393904740 977953671 /nfs/dbraw/zinc/95/36/71/977953671.db2.gz HEMKREHLDVAPCT-UHFFFAOYSA-N 2 1 296.802 1.428 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001675909446 1174165280 /nfs/dbraw/zinc/16/52/80/1174165280.db2.gz IWWIIYPDXBQEID-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001676222654 1174193288 /nfs/dbraw/zinc/19/32/88/1174193288.db2.gz WKFOWUQALRHPKQ-HOTGVXAUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001676814596 1174276794 /nfs/dbraw/zinc/27/67/94/1174276794.db2.gz IKFSCCLDYHBKJU-HOCLYGCPSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001676893278 1174287460 /nfs/dbraw/zinc/28/74/60/1174287460.db2.gz IPRODDHWBYMQRU-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001676893278 1174287466 /nfs/dbraw/zinc/28/74/66/1174287466.db2.gz IPRODDHWBYMQRU-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001676893278 1174287468 /nfs/dbraw/zinc/28/74/68/1174287468.db2.gz IPRODDHWBYMQRU-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001571326615 1170366697 /nfs/dbraw/zinc/36/66/97/1170366697.db2.gz YAABSAHJLXFSRJ-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001571417434 1170419967 /nfs/dbraw/zinc/41/99/67/1170419967.db2.gz CXNYXVKYDOSTLY-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001571417434 1170419970 /nfs/dbraw/zinc/41/99/70/1170419970.db2.gz CXNYXVKYDOSTLY-GJZGRUSLSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001571501178 1170457179 /nfs/dbraw/zinc/45/71/79/1170457179.db2.gz NOZZXBBZSVCVHV-DOTOQJQBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001571501178 1170457184 /nfs/dbraw/zinc/45/71/84/1170457184.db2.gz NOZZXBBZSVCVHV-DOTOQJQBSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001571501178 1170457190 /nfs/dbraw/zinc/45/71/90/1170457190.db2.gz NOZZXBBZSVCVHV-DOTOQJQBSA-N 2 1 289.423 1.217 10 30 CDEEMP C=CC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571646191 1170507375 /nfs/dbraw/zinc/50/73/75/1170507375.db2.gz KXWQZLPPZKNTBB-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001656113139 1171767810 /nfs/dbraw/zinc/76/78/10/1171767810.db2.gz RFMQDIPRIKQAAI-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP CN(C)CC[N@@H+](C)CCCN(C)Cc1ccncc1C#N ZINC000592123651 342666841 /nfs/dbraw/zinc/66/68/41/342666841.db2.gz XBIUPMCAPQSCGQ-UHFFFAOYSA-N 2 1 289.427 1.269 10 30 CDEEMP CN(CCCN(C)Cc1ccncc1C#N)CC[NH+](C)C ZINC000592123651 342666842 /nfs/dbraw/zinc/66/68/42/342666842.db2.gz XBIUPMCAPQSCGQ-UHFFFAOYSA-N 2 1 289.427 1.269 10 30 CDEEMP C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C1=CC[N@@H+](C)CC1 ZINC000600736635 342244292 /nfs/dbraw/zinc/24/42/92/342244292.db2.gz SLQXRTLFMXWCDL-OCCSQVGLSA-N 2 1 263.385 1.281 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000594425005 342903893 /nfs/dbraw/zinc/90/38/93/342903893.db2.gz IRNDAWBEJRCEQX-AWEZNQCLSA-N 2 1 286.379 1.534 10 30 CDEEMP N#CCCCC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000595958739 343196080 /nfs/dbraw/zinc/19/60/80/343196080.db2.gz GYXAPQNJWJMQJB-ZNMIVQPWSA-N 2 1 292.427 1.531 10 30 CDEEMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)cc1 ZINC000600708937 349876824 /nfs/dbraw/zinc/87/68/24/349876824.db2.gz LYLZXWUSKHKSCP-LBPRGKRZSA-N 2 1 259.353 1.717 10 30 CDEEMP N#Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000091988126 283143715 /nfs/dbraw/zinc/14/37/15/283143715.db2.gz RQWHKZOBBNBULJ-QZTJIDSGSA-N 2 1 299.418 1.694 10 30 CDEEMP N#Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000091988126 283143720 /nfs/dbraw/zinc/14/37/20/283143720.db2.gz RQWHKZOBBNBULJ-QZTJIDSGSA-N 2 1 299.418 1.694 10 30 CDEEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528391860 367822072 /nfs/dbraw/zinc/82/20/72/367822072.db2.gz FTWKMNYSHOZMKO-CABCVRRESA-N 2 1 279.428 1.705 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001661748816 1172440571 /nfs/dbraw/zinc/44/05/71/1172440571.db2.gz YDIBTRSNMPOUKT-GJZGRUSLSA-N 2 1 281.444 1.587 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001662010919 1172477815 /nfs/dbraw/zinc/47/78/15/1172477815.db2.gz NSSAULDFXDLJPF-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001662010919 1172477819 /nfs/dbraw/zinc/47/78/19/1172477819.db2.gz NSSAULDFXDLJPF-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)CCC)C1 ZINC001662010919 1172477822 /nfs/dbraw/zinc/47/78/22/1172477822.db2.gz NSSAULDFXDLJPF-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000076734215 377489104 /nfs/dbraw/zinc/48/91/04/377489104.db2.gz MUUOWFNONWZXDQ-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C[N@H+](Cc1ccccc1C#N)CC1CC[NH+](CCO)CC1 ZINC000069739212 378678606 /nfs/dbraw/zinc/67/86/06/378678606.db2.gz GYOPXIVITJBWLQ-UHFFFAOYSA-N 2 1 287.407 1.694 10 30 CDEEMP C#CC[NH+]1CCC(NC[C@H](C(C)C)[NH+](C)C)CC1 ZINC000037233312 173052588 /nfs/dbraw/zinc/05/25/88/173052588.db2.gz CPALLDLASCIJOA-OAHLLOKOSA-N 2 1 251.418 1.260 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319789 414638003 /nfs/dbraw/zinc/63/80/03/414638003.db2.gz MLLQBTNWDYBQMU-GJZGRUSLSA-N 2 1 270.417 1.356 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)s1 ZINC000043683552 175091974 /nfs/dbraw/zinc/09/19/74/175091974.db2.gz NAKXUNZQFJCMNW-ZDUSSCGKSA-N 2 1 278.421 1.795 10 30 CDEEMP C[C@H]1C[NH+](Cc2cc(C#CC[NH3+])cs2)C[C@H](C)O1 ZINC000043688798 175095881 /nfs/dbraw/zinc/09/58/81/175095881.db2.gz AMMWMKQKPPCYHA-RYUDHWBXSA-N 2 1 264.394 1.668 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CCCO)C[C@H]1CC[NH+](C)C1 ZINC000071190513 176067016 /nfs/dbraw/zinc/06/70/16/176067016.db2.gz MBDNTAGGSIWKNV-AWEZNQCLSA-N 2 1 292.448 1.866 10 30 CDEEMP C[N@H+](Cc1sccc1C#CCCO)C[C@H]1CC[NH+](C)C1 ZINC000071190513 176067017 /nfs/dbraw/zinc/06/70/17/176067017.db2.gz MBDNTAGGSIWKNV-AWEZNQCLSA-N 2 1 292.448 1.866 10 30 CDEEMP C[NH+](Cc1sccc1C#CCCO)C[C@H]1CC[N@H+](C)C1 ZINC000071190513 176067018 /nfs/dbraw/zinc/06/70/18/176067018.db2.gz MBDNTAGGSIWKNV-AWEZNQCLSA-N 2 1 292.448 1.866 10 30 CDEEMP C[NH+](Cc1sccc1C#CCCO)C[C@H]1CC[N@@H+](C)C1 ZINC000071190513 176067019 /nfs/dbraw/zinc/06/70/19/176067019.db2.gz MBDNTAGGSIWKNV-AWEZNQCLSA-N 2 1 292.448 1.866 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCO)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071190498 176067070 /nfs/dbraw/zinc/06/70/70/176067070.db2.gz OLZMATALTUUUSI-QGZVFWFLSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071190498 176067072 /nfs/dbraw/zinc/06/70/72/176067072.db2.gz OLZMATALTUUUSI-QGZVFWFLSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190498 176067073 /nfs/dbraw/zinc/06/70/73/176067073.db2.gz OLZMATALTUUUSI-QGZVFWFLSA-N 2 1 272.392 1.414 10 30 CDEEMP C=CCOc1ccc(C[N@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000415057302 263258971 /nfs/dbraw/zinc/25/89/71/263258971.db2.gz PSWFOQOVNDLXSR-ZDUSSCGKSA-N 2 1 250.342 1.003 10 30 CDEEMP C=CCOc1ccc(C[N@@H+](C)C[C@@H](O)C[NH3+])cc1 ZINC000415057302 263258972 /nfs/dbraw/zinc/25/89/72/263258972.db2.gz PSWFOQOVNDLXSR-ZDUSSCGKSA-N 2 1 250.342 1.003 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)Cc1cccn1C ZINC000160921157 264268098 /nfs/dbraw/zinc/26/80/98/264268098.db2.gz UWJOMUQBRWNHEU-ZDUSSCGKSA-N 2 1 277.416 1.127 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662703808 424348657 /nfs/dbraw/zinc/34/86/57/424348657.db2.gz UVDFYIFIOULUHJ-SWLSCSKDSA-N 2 1 263.385 1.038 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001667508243 1173278016 /nfs/dbraw/zinc/27/80/16/1173278016.db2.gz HKCSGFBXOZDYNL-HUUCEWRRSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001671805909 1173713662 /nfs/dbraw/zinc/71/36/62/1173713662.db2.gz ZSUURFJRBMWGBG-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[NH+]1C[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001672439266 1173773643 /nfs/dbraw/zinc/77/36/43/1173773643.db2.gz YEYNJPQLQZTUKB-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001672439266 1173773648 /nfs/dbraw/zinc/77/36/48/1173773648.db2.gz YEYNJPQLQZTUKB-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001672439266 1173773653 /nfs/dbraw/zinc/77/36/53/1173773653.db2.gz YEYNJPQLQZTUKB-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001690587781 1175514249 /nfs/dbraw/zinc/51/42/49/1175514249.db2.gz XYQMIPBSHHDNJR-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001691476586 1159335500 /nfs/dbraw/zinc/33/55/00/1159335500.db2.gz MXIMQLCYIRGJGH-MRXNPFEDSA-N 2 1 299.434 1.823 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001482692178 1160626492 /nfs/dbraw/zinc/62/64/92/1160626492.db2.gz GNIUVBIELLDXAB-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001691660922 1161441949 /nfs/dbraw/zinc/44/19/49/1161441949.db2.gz IWTYHLVPWDQPBD-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001691660922 1161441952 /nfs/dbraw/zinc/44/19/52/1161441952.db2.gz IWTYHLVPWDQPBD-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001691660922 1161441955 /nfs/dbraw/zinc/44/19/55/1161441955.db2.gz IWTYHLVPWDQPBD-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC000939755524 613351436 /nfs/dbraw/zinc/35/14/36/613351436.db2.gz QNEHWLTWJBVWLJ-OCCSQVGLSA-N 2 1 276.384 1.204 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002976 613781070 /nfs/dbraw/zinc/78/10/70/613781070.db2.gz RKKDMQSZBIZURD-HNNXBMFYSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)C(C)(C)C[NH+]1CCOCC1 ZINC000910573818 618276826 /nfs/dbraw/zinc/27/68/26/618276826.db2.gz ZVDPARWECGCXOW-UHFFFAOYSA-N 2 1 297.443 1.064 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903001072 625763608 /nfs/dbraw/zinc/76/36/08/625763608.db2.gz PPRBCZZIPQORSO-AALSBFMBSA-N 2 1 262.397 1.345 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903001072 625763614 /nfs/dbraw/zinc/76/36/14/625763614.db2.gz PPRBCZZIPQORSO-AALSBFMBSA-N 2 1 262.397 1.345 10 30 CDEEMP C=C(C)CNC(NC[C@@H]1CCC[N@@H+]1C)=[NH+]C(C)(C)C ZINC000912499278 630042254 /nfs/dbraw/zinc/04/22/54/630042254.db2.gz OMHFJNOQVLHBCL-ZDUSSCGKSA-N 2 1 266.433 1.990 10 30 CDEEMP CC#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001266741278 1158797403 /nfs/dbraw/zinc/79/74/03/1158797403.db2.gz PJXKAGVMEUVPIL-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001691097711 1158908066 /nfs/dbraw/zinc/90/80/66/1158908066.db2.gz QTKCNKWJNNETKN-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691097711 1158908071 /nfs/dbraw/zinc/90/80/71/1158908071.db2.gz QTKCNKWJNNETKN-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001691097711 1158908073 /nfs/dbraw/zinc/90/80/73/1158908073.db2.gz QTKCNKWJNNETKN-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001691495987 1159754421 /nfs/dbraw/zinc/75/44/21/1159754421.db2.gz GAWKEYSOZOOYIJ-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001481530118 1159770039 /nfs/dbraw/zinc/77/00/39/1159770039.db2.gz OUJYLHPXKSSFAF-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481530118 1159770042 /nfs/dbraw/zinc/77/00/42/1159770042.db2.gz OUJYLHPXKSSFAF-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001481530118 1159770044 /nfs/dbraw/zinc/77/00/44/1159770044.db2.gz OUJYLHPXKSSFAF-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000876722854 1165901032 /nfs/dbraw/zinc/90/10/32/1165901032.db2.gz GSRLTDZLQVZTFR-RYUDHWBXSA-N 2 1 273.808 1.447 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001566755819 1168409324 /nfs/dbraw/zinc/40/93/24/1168409324.db2.gz SRSGQLPHHPFILL-HRCADAONSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001569612292 1169937227 /nfs/dbraw/zinc/93/72/27/1169937227.db2.gz ADYPMLPOWRNCFI-GDBMZVCRSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570091916 1170075517 /nfs/dbraw/zinc/07/55/17/1170075517.db2.gz RGQIJYZQXRPEHS-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001570177714 1170103148 /nfs/dbraw/zinc/10/31/48/1170103148.db2.gz QQCWCFBHNMABCQ-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001662950020 1172619502 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30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001676068771 1174178147 /nfs/dbraw/zinc/17/81/47/1174178147.db2.gz JDUDXFQOBGVXDG-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001676068771 1174178150 /nfs/dbraw/zinc/17/81/50/1174178150.db2.gz JDUDXFQOBGVXDG-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001690458942 1175475718 /nfs/dbraw/zinc/47/57/18/1175475718.db2.gz JMEQEJPAWKFCJD-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001690501586 1175483901 /nfs/dbraw/zinc/48/39/01/1175483901.db2.gz NAJUEPKGNJDTEZ-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1C ZINC001692205504 1175700263 /nfs/dbraw/zinc/70/02/63/1175700263.db2.gz IYXGPURBZYTPKR-ILXRZTDVSA-N 2 1 297.443 1.108 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC1 ZINC001698829683 1175953284 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30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001698991724 1176020012 /nfs/dbraw/zinc/02/00/12/1176020012.db2.gz UANYCXUNXJHMCO-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699387962 1176346181 /nfs/dbraw/zinc/34/61/81/1176346181.db2.gz LNYSQJKEUBQAIW-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001699634603 1176530526 /nfs/dbraw/zinc/53/05/26/1176530526.db2.gz SHRJCLHVJAIGTB-ZBFHGGJFSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001700099858 1176746698 /nfs/dbraw/zinc/74/66/98/1176746698.db2.gz RNBAMAZHJGUXGJ-YOEHRIQHSA-N 2 1 299.418 1.538 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cc1cncn1C ZINC001700194138 1176792434 /nfs/dbraw/zinc/79/24/34/1176792434.db2.gz JZRIYAYZOKKKPS-UHFFFAOYSA-N 2 1 292.427 1.709 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001700574210 1177021333 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C=CCC[C@@H](C)[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001713086487 1178357824 /nfs/dbraw/zinc/35/78/24/1178357824.db2.gz RRACXMLGTXBBSK-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001713197273 1178426868 /nfs/dbraw/zinc/42/68/68/1178426868.db2.gz ZATNXKVKQDAEHM-OKILXGFUSA-N 2 1 276.384 1.395 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713310573 1178489137 /nfs/dbraw/zinc/48/91/37/1178489137.db2.gz XJXXUTGMCUIPOO-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C#CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538699 1178633486 /nfs/dbraw/zinc/63/34/86/1178633486.db2.gz QKOOVUSBMPQCAM-CQSZACIVSA-N 2 1 288.395 1.078 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001713538699 1178633488 /nfs/dbraw/zinc/63/34/88/1178633488.db2.gz QKOOVUSBMPQCAM-CQSZACIVSA-N 2 1 288.395 1.078 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713541928 1178634904 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C#CC[NH2+][C@H](C)CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001714482650 1179163763 /nfs/dbraw/zinc/16/37/63/1179163763.db2.gz VDFRZRSWQMBZGU-OAHLLOKOSA-N 2 1 293.455 1.759 10 30 CDEEMP C=C(C)CC[N@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001714590179 1179244212 /nfs/dbraw/zinc/24/42/12/1179244212.db2.gz YCFCWKRTKDXLNC-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)Cn1c[nH+]cc1C ZINC001714590179 1179244217 /nfs/dbraw/zinc/24/42/17/1179244217.db2.gz YCFCWKRTKDXLNC-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714655219 1179301718 /nfs/dbraw/zinc/30/17/18/1179301718.db2.gz YPZSETJSCZPLGB-MRXNPFEDSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC=C(C)C ZINC001716307072 1180149639 /nfs/dbraw/zinc/14/96/39/1180149639.db2.gz UEYWWIXAHMQOLP-JFDDCEBESA-N 2 1 289.423 1.312 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC=C(C)C ZINC001716307072 1180149641 /nfs/dbraw/zinc/14/96/41/1180149641.db2.gz UEYWWIXAHMQOLP-JFDDCEBESA-N 2 1 289.423 1.312 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001716395648 1180183969 /nfs/dbraw/zinc/18/39/69/1180183969.db2.gz PDZAEQAYCUTRJL-OLZOCXBDSA-N 2 1 276.384 1.124 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001716398491 1180186822 /nfs/dbraw/zinc/18/68/22/1180186822.db2.gz XIIFFTANLZNVCS-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001716419321 1180196337 /nfs/dbraw/zinc/19/63/37/1180196337.db2.gz ZKRXCAMJJKXXDQ-ZBFHGGJFSA-N 2 1 287.407 1.407 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716777416 1180411658 /nfs/dbraw/zinc/41/16/58/1180411658.db2.gz LBGYUJZWCRGBGC-HUUCEWRRSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001717096732 1180530723 /nfs/dbraw/zinc/53/07/23/1180530723.db2.gz JHLLZUGODMJRJB-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001717111151 1180532620 /nfs/dbraw/zinc/53/26/20/1180532620.db2.gz MKHNMUCIZKGWMX-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001717412677 1180659456 /nfs/dbraw/zinc/65/94/56/1180659456.db2.gz JSRDNIFUCSPYGM-QWRGUYRKSA-N 2 1 250.346 1.011 10 30 CDEEMP C=CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001717543046 1180729886 /nfs/dbraw/zinc/72/98/86/1180729886.db2.gz QIIFDQJYZCGKQM-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001717543046 1180729889 /nfs/dbraw/zinc/72/98/89/1180729889.db2.gz QIIFDQJYZCGKQM-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001717543046 1180729894 /nfs/dbraw/zinc/72/98/94/1180729894.db2.gz QIIFDQJYZCGKQM-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724539219 1181692941 /nfs/dbraw/zinc/69/29/41/1181692941.db2.gz JVRJZLSUSKCMET-HUUCEWRRSA-N 2 1 288.395 1.041 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001724754491 1181740793 /nfs/dbraw/zinc/74/07/93/1181740793.db2.gz GRJZLAYJDZSLBE-BZUAXINKSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)[C@@H]2C1 ZINC001725315074 1181960860 /nfs/dbraw/zinc/96/08/60/1181960860.db2.gz XWQGRBWSONUFCJ-QKDCVEJESA-N 2 1 291.439 1.341 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001725427307 1181995561 /nfs/dbraw/zinc/99/55/61/1181995561.db2.gz MWYPYXVBWLBYNT-UHFFFAOYSA-N 2 1 277.412 1.028 10 30 CDEEMP C#CCC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001725629203 1182078272 /nfs/dbraw/zinc/07/82/72/1182078272.db2.gz MDDGZJNBYDTOCX-ZMSDIMECSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731394121 1182357162 /nfs/dbraw/zinc/35/71/62/1182357162.db2.gz WPVZHXFXWBJUSU-KBPBESRZSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001731535480 1182438986 /nfs/dbraw/zinc/43/89/86/1182438986.db2.gz GAJWORNZKDIPKU-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001731535480 1182438992 /nfs/dbraw/zinc/43/89/92/1182438992.db2.gz GAJWORNZKDIPKU-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001731557272 1182446815 /nfs/dbraw/zinc/44/68/15/1182446815.db2.gz FJRLFPOUIHJKDH-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001731814015 1182601472 /nfs/dbraw/zinc/60/14/72/1182601472.db2.gz IZNJUGHVWAKZKA-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001731814015 1182601476 /nfs/dbraw/zinc/60/14/76/1182601476.db2.gz IZNJUGHVWAKZKA-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001731814015 1182601478 /nfs/dbraw/zinc/60/14/78/1182601478.db2.gz IZNJUGHVWAKZKA-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732437153 1182964808 /nfs/dbraw/zinc/96/48/08/1182964808.db2.gz ADHJEEIDUCKSJA-ZDUSSCGKSA-N 2 1 269.433 1.587 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001733013292 1183237039 /nfs/dbraw/zinc/23/70/39/1183237039.db2.gz AXJJZGKVMSJUHO-BBRMVZONSA-N 2 1 299.434 1.869 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001733901203 1183563249 /nfs/dbraw/zinc/56/32/49/1183563249.db2.gz NGKCJBZNSFVSEI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001733901203 1183563251 /nfs/dbraw/zinc/56/32/51/1183563251.db2.gz NGKCJBZNSFVSEI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001733901203 1183563253 /nfs/dbraw/zinc/56/32/53/1183563253.db2.gz NGKCJBZNSFVSEI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP 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C=C(C)CC[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001482652102 908121041 /nfs/dbraw/zinc/12/10/41/908121041.db2.gz PUXLNFDXLQKLSN-UHFFFAOYSA-N 2 1 269.433 1.683 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001566925762 1168471649 /nfs/dbraw/zinc/47/16/49/1168471649.db2.gz OYYBDLZWFVLUCH-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001483693970 912865627 /nfs/dbraw/zinc/86/56/27/912865627.db2.gz JDSQGTWFJILGLY-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001567265179 1168644467 /nfs/dbraw/zinc/64/44/67/1168644467.db2.gz RPJRODSPWUUTLN-HNNXBMFYSA-N 2 1 289.423 1.076 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266325451 894394595 /nfs/dbraw/zinc/39/45/95/894394595.db2.gz NNAPQXYDXVCTGP-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266325451 894394611 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ZINC001481181919 899072749 /nfs/dbraw/zinc/07/27/49/899072749.db2.gz AMZSTPHLSOAMAX-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001481181919 899072763 /nfs/dbraw/zinc/07/27/63/899072763.db2.gz AMZSTPHLSOAMAX-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001267790992 899735967 /nfs/dbraw/zinc/73/59/67/899735967.db2.gz ULBNITPGMSYELT-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001267830698 899832742 /nfs/dbraw/zinc/83/27/42/899832742.db2.gz GHVNYMDCDTUPHM-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001268002667 900249163 /nfs/dbraw/zinc/24/91/63/900249163.db2.gz BZVOIVHVWUEMJO-XJKSGUPXSA-N 2 1 297.418 1.174 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001268254893 901678687 /nfs/dbraw/zinc/67/86/87/901678687.db2.gz GMEHUDHSRUGGGD-HUUCEWRRSA-N 2 1 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CDEEMP C=CCC[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276004244 932227239 /nfs/dbraw/zinc/22/72/39/932227239.db2.gz XKSBLAHZMVFPMH-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001276004244 932227242 /nfs/dbraw/zinc/22/72/42/932227242.db2.gz XKSBLAHZMVFPMH-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001281952795 945232413 /nfs/dbraw/zinc/23/24/13/945232413.db2.gz PEUJOFORKQMVAA-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001281952795 945232416 /nfs/dbraw/zinc/23/24/16/945232416.db2.gz PEUJOFORKQMVAA-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001281952795 945232422 /nfs/dbraw/zinc/23/24/22/945232422.db2.gz PEUJOFORKQMVAA-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001276868205 941661239 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C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@H+](C)C(C)C ZINC001283558346 942933943 /nfs/dbraw/zinc/93/39/43/942933943.db2.gz YCMNHLZCNUPEMY-HNNXBMFYSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001283617681 942949919 /nfs/dbraw/zinc/94/99/19/942949919.db2.gz KFJPDUROUYPSOU-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001284070364 943067108 /nfs/dbraw/zinc/06/71/08/943067108.db2.gz SUPFOXQPKPXFRT-YOEHRIQHSA-N 2 1 289.423 1.075 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001277865091 943890824 /nfs/dbraw/zinc/89/08/24/943890824.db2.gz CWCNAYPFYQNSLS-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371081 944115044 /nfs/dbraw/zinc/11/50/44/944115044.db2.gz PCRNPOHEYLVEAS-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001265591497 944440131 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281.444 1.731 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001316823477 956986172 /nfs/dbraw/zinc/98/61/72/956986172.db2.gz DFSZIGILPJGAFJ-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001316823477 956986194 /nfs/dbraw/zinc/98/61/94/956986194.db2.gz DFSZIGILPJGAFJ-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001331559980 957137510 /nfs/dbraw/zinc/13/75/10/957137510.db2.gz IBMGFYNSMVNPLZ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001317122605 957287294 /nfs/dbraw/zinc/28/72/94/957287294.db2.gz RVVJNUJUDZJJFX-OKILXGFUSA-N 2 1 288.395 1.267 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317445689 957478771 /nfs/dbraw/zinc/47/87/71/957478771.db2.gz FEVXSPDIUKATSM-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317483335 957504255 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C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001319999815 958859524 /nfs/dbraw/zinc/85/95/24/958859524.db2.gz RTCKBERPYCWLPJ-ZIAGYGMSSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001320067665 958919858 /nfs/dbraw/zinc/91/98/58/958919858.db2.gz AWIDRQZSXVUNAZ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320067665 958919868 /nfs/dbraw/zinc/91/98/68/958919868.db2.gz AWIDRQZSXVUNAZ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320067665 958919878 /nfs/dbraw/zinc/91/98/78/958919878.db2.gz AWIDRQZSXVUNAZ-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001495209697 972436842 /nfs/dbraw/zinc/43/68/42/972436842.db2.gz MFSOENDWCWBXHO-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001321084010 959582012 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CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001496299309 972879870 /nfs/dbraw/zinc/87/98/70/972879870.db2.gz BZDRXFVCTUQTTC-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001497837555 973543918 /nfs/dbraw/zinc/54/39/18/973543918.db2.gz OORDQQUXHANDIP-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001497950377 973586312 /nfs/dbraw/zinc/58/63/12/973586312.db2.gz HDMCYAQYEIRWAM-GFCCVEGCSA-N 2 1 285.351 1.161 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001497992046 973603356 /nfs/dbraw/zinc/60/33/56/973603356.db2.gz ARLDCFPCFXNSDF-OLZOCXBDSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001505922316 975044576 /nfs/dbraw/zinc/04/45/76/975044576.db2.gz LTPLTVYAUUYUNJ-MELADBBJSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CCCC[NH+]1CC([C@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001506637917 975195402 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CC#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@H]1C ZINC001674157019 1173918866 /nfs/dbraw/zinc/91/88/66/1173918866.db2.gz YRIFCVOCMFWSAN-CVEARBPZSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001674441424 1173947083 /nfs/dbraw/zinc/94/70/83/1173947083.db2.gz ZEVKKDGHPLCLRP-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001674441424 1173947089 /nfs/dbraw/zinc/94/70/89/1173947089.db2.gz ZEVKKDGHPLCLRP-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001674441424 1173947093 /nfs/dbraw/zinc/94/70/93/1173947093.db2.gz ZEVKKDGHPLCLRP-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571559978 1170477937 /nfs/dbraw/zinc/47/79/37/1170477937.db2.gz PGZGWURFTVXOQG-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001571638645 1170504658 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C#CC[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661723869 1172435751 /nfs/dbraw/zinc/43/57/51/1172435751.db2.gz RHQYSUIKDXCYGD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001661723869 1172435741 /nfs/dbraw/zinc/43/57/41/1172435741.db2.gz RHQYSUIKDXCYGD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661723869 1172435746 /nfs/dbraw/zinc/43/57/46/1172435746.db2.gz RHQYSUIKDXCYGD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2nc(C#N)cs2)CC1 ZINC000352835253 374366360 /nfs/dbraw/zinc/36/63/60/374366360.db2.gz OGSUTTOQZQQUPX-GFCCVEGCSA-N 2 1 293.440 1.130 10 30 CDEEMP C=CCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000342724574 374462038 /nfs/dbraw/zinc/46/20/38/374462038.db2.gz DEKHITJZHONOBY-UHFFFAOYSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[NH2+]C1CCC(NC(=O)C[N@H+](C)CCC)CC1 ZINC001662138392 1172485757 /nfs/dbraw/zinc/48/57/57/1172485757.db2.gz JPRILVZSWAHVBL-UHFFFAOYSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCOCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324826 412892952 /nfs/dbraw/zinc/89/29/52/412892952.db2.gz YOVNKLQDRXJXQN-AWEZNQCLSA-N 2 1 256.390 1.232 10 30 CDEEMP C=CCOCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662324826 412892958 /nfs/dbraw/zinc/89/29/58/412892958.db2.gz YOVNKLQDRXJXQN-AWEZNQCLSA-N 2 1 256.390 1.232 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001663014561 1172629019 /nfs/dbraw/zinc/62/90/19/1172629019.db2.gz YVXRXDCMGORFCK-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665686142 1173038538 /nfs/dbraw/zinc/03/85/38/1173038538.db2.gz DKHGDWRDIIGGMN-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@@H]2CC[N@H+](CCC)C2)CCC[NH2+]1 ZINC000662910263 413691439 /nfs/dbraw/zinc/69/14/39/413691439.db2.gz MZERZCVLQOBGIZ-HIFRSBDPSA-N 2 1 265.401 1.285 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(=O)N1CC[NH+](C)CC1 ZINC000662090403 414508485 /nfs/dbraw/zinc/50/84/85/414508485.db2.gz OJFPTXQSIIOWCL-GASCZTMLSA-N 2 1 277.412 1.334 10 30 CDEEMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC(=O)N1CC[NH+](C)CC1 ZINC000662090403 414508486 /nfs/dbraw/zinc/50/84/86/414508486.db2.gz OJFPTXQSIIOWCL-GASCZTMLSA-N 2 1 277.412 1.334 10 30 CDEEMP COCCC[N@H+](CCCC[C@@](C)([NH3+])C#N)CCOC ZINC000045317042 175357976 /nfs/dbraw/zinc/35/79/76/175357976.db2.gz STHRQIOVZSQFCZ-CQSZACIVSA-N 2 1 271.405 1.383 10 30 CDEEMP COCCC[N@@H+](CCCC[C@@](C)([NH3+])C#N)CCOC ZINC000045317042 175357977 /nfs/dbraw/zinc/35/79/77/175357977.db2.gz STHRQIOVZSQFCZ-CQSZACIVSA-N 2 1 271.405 1.383 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001666314475 1173125914 /nfs/dbraw/zinc/12/59/14/1173125914.db2.gz HCFOVRLXFKOKBG-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667693964 1173311133 /nfs/dbraw/zinc/31/11/33/1173311133.db2.gz KQCCZHHVVPHLIS-LSDHHAIUSA-N 2 1 291.439 1.437 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001668326704 1173397303 /nfs/dbraw/zinc/39/73/03/1173397303.db2.gz UQNWBRIFLCBWTH-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001669399535 1173546350 /nfs/dbraw/zinc/54/63/50/1173546350.db2.gz CHUFXGRQTHUZKL-OCCSQVGLSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001691829381 1160300042 /nfs/dbraw/zinc/30/00/42/1160300042.db2.gz WVNYFGSLEKZNQK-SHTZXODSSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001732425271 1182960008 /nfs/dbraw/zinc/96/00/08/1182960008.db2.gz PGLFOZCCQYKTAT-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH+]1CC=C(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001677621743 1174379237 /nfs/dbraw/zinc/37/92/37/1174379237.db2.gz WQSYFVUTMJFIBN-MRXNPFEDSA-N 2 1 291.439 1.653 10 30 CDEEMP C=CCC[N@H+]1CC=C(CNC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001677621743 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C#CC[N@H+](C)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713765847 1178743655 /nfs/dbraw/zinc/74/36/55/1178743655.db2.gz DMDNJPJKFIRVMH-UHFFFAOYSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001714050907 1178946884 /nfs/dbraw/zinc/94/68/84/1178946884.db2.gz WMCNKTHSQMTCDK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001714050907 1178946888 /nfs/dbraw/zinc/94/68/88/1178946888.db2.gz WMCNKTHSQMTCDK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001714050907 1178946894 /nfs/dbraw/zinc/94/68/94/1178946894.db2.gz WMCNKTHSQMTCDK-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001714176599 1179004312 /nfs/dbraw/zinc/00/43/12/1179004312.db2.gz RIFGPUNNLKVRQI-HNNXBMFYSA-N 2 1 276.384 1.252 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001714236835 1179038401 /nfs/dbraw/zinc/03/84/01/1179038401.db2.gz WYVPYXYXCZKXCX-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001714674306 1179316498 /nfs/dbraw/zinc/31/64/98/1179316498.db2.gz OFWCGLPGNIIOHZ-UHFFFAOYSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001714797560 1179402093 /nfs/dbraw/zinc/40/20/93/1179402093.db2.gz LRXXZRILRZATPW-BETUJISGSA-N 2 1 253.390 1.093 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CCC[NH+](C)C)C1 ZINC001714880149 1179434970 /nfs/dbraw/zinc/43/49/70/1179434970.db2.gz YHJVQHHSAOKCKK-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CC1 ZINC001715338948 1179632904 /nfs/dbraw/zinc/63/29/04/1179632904.db2.gz OMDJSNNKIJQMSD-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CC1 ZINC001715338948 1179632907 /nfs/dbraw/zinc/63/29/07/1179632907.db2.gz OMDJSNNKIJQMSD-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001715368861 1179646076 /nfs/dbraw/zinc/64/60/76/1179646076.db2.gz KWBXRFKFMKGXCQ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001715492578 1179681941 /nfs/dbraw/zinc/68/19/41/1179681941.db2.gz QQPLEXUIGPKUSD-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001715857790 1179874920 /nfs/dbraw/zinc/87/49/20/1179874920.db2.gz GFFIBEFKVAGSGH-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715857790 1179874931 /nfs/dbraw/zinc/87/49/31/1179874931.db2.gz GFFIBEFKVAGSGH-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001715857790 1179874943 /nfs/dbraw/zinc/87/49/43/1179874943.db2.gz GFFIBEFKVAGSGH-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC=C(C)C ZINC001716307073 1180150061 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C=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001716901666 1180458401 /nfs/dbraw/zinc/45/84/01/1180458401.db2.gz NDZMOYBCZVLKFZ-ZBFHGGJFSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001716901666 1180458405 /nfs/dbraw/zinc/45/84/05/1180458405.db2.gz NDZMOYBCZVLKFZ-ZBFHGGJFSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001716901666 1180458411 /nfs/dbraw/zinc/45/84/11/1180458411.db2.gz NDZMOYBCZVLKFZ-ZBFHGGJFSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001716985518 1180491351 /nfs/dbraw/zinc/49/13/51/1180491351.db2.gz BFGYIEJOXQPABP-DZGCQCFKSA-N 2 1 290.411 1.452 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001717126126 1180538669 /nfs/dbraw/zinc/53/86/69/1180538669.db2.gz WGVWYCPRCZDWNJ-BZUAXINKSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001717240211 1180586652 /nfs/dbraw/zinc/58/66/52/1180586652.db2.gz OBAJZSFJKUCYSZ-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001717641605 1180769805 /nfs/dbraw/zinc/76/98/05/1180769805.db2.gz OTQXKSJZVTXCIS-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001717718729 1180804203 /nfs/dbraw/zinc/80/42/03/1180804203.db2.gz RXOXBNPOFJCJHA-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001724836876 1181769744 /nfs/dbraw/zinc/76/97/44/1181769744.db2.gz JMALYWCCCZLSQX-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C)C[C@@]2(C)C1 ZINC001725346922 1181967546 /nfs/dbraw/zinc/96/75/46/1181967546.db2.gz IUWSIJOWNXGIIJ-IYBDPMFKSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CC[N@H+](C)CC)C[C@@H]21 ZINC001725618174 1182073450 /nfs/dbraw/zinc/07/34/50/1182073450.db2.gz IAIWSSVGEFESQX-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001731397678 1182359269 /nfs/dbraw/zinc/35/92/69/1182359269.db2.gz URRIAVNHWSIIHE-ZIAGYGMSSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001731868967 1182639793 /nfs/dbraw/zinc/63/97/93/1182639793.db2.gz OFTOFKMWSOTCFB-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001731885485 1182652772 /nfs/dbraw/zinc/65/27/72/1182652772.db2.gz ODUJITAOFLDHFQ-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001731885485 1182652775 /nfs/dbraw/zinc/65/27/75/1182652775.db2.gz ODUJITAOFLDHFQ-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001731885485 1182652781 /nfs/dbraw/zinc/65/27/81/1182652781.db2.gz ODUJITAOFLDHFQ-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC001732073200 1182751463 /nfs/dbraw/zinc/75/14/63/1182751463.db2.gz XITCBMBVHXUTGI-ZDUSSCGKSA-N 2 1 296.374 1.590 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001732426044 1182959995 /nfs/dbraw/zinc/95/99/95/1182959995.db2.gz KMPKFQUENXIZLD-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001732571264 1183015912 /nfs/dbraw/zinc/01/59/12/1183015912.db2.gz ARANMASVYNTVRV-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)C[N@@H+](C)C1CCC1 ZINC001732778639 1183122359 /nfs/dbraw/zinc/12/23/59/1183122359.db2.gz SDZUUJPHPLCISI-UHFFFAOYSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001733043338 1183259480 /nfs/dbraw/zinc/25/94/80/1183259480.db2.gz NPAFOPOWFSQWKK-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001733043338 1183259487 /nfs/dbraw/zinc/25/94/87/1183259487.db2.gz NPAFOPOWFSQWKK-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001733069325 1183276277 /nfs/dbraw/zinc/27/62/77/1183276277.db2.gz ZUBZEYIXNMOBBZ-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001733069325 1183276280 /nfs/dbraw/zinc/27/62/80/1183276280.db2.gz ZUBZEYIXNMOBBZ-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001733069325 1183276288 /nfs/dbraw/zinc/27/62/88/1183276288.db2.gz ZUBZEYIXNMOBBZ-CYBMUJFWSA-N 2 1 255.406 1.339 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001733289833 1183379338 /nfs/dbraw/zinc/37/93/38/1183379338.db2.gz UXDLPXWYVMKPOY-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001733334594 1183400506 /nfs/dbraw/zinc/40/05/06/1183400506.db2.gz AVTGJLOMPZUJBL-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733360500 1183409256 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CC#CC[NH+]1CC[C@H](N(CCC)C(=O)C[N@@H+](C)CCC)C1 ZINC001267488921 898142173 /nfs/dbraw/zinc/14/21/73/898142173.db2.gz RZJXESJBQQDODU-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001480983166 898427538 /nfs/dbraw/zinc/42/75/38/898427538.db2.gz RIUUTDOXUVLIIO-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001480983166 898427546 /nfs/dbraw/zinc/42/75/46/898427546.db2.gz RIUUTDOXUVLIIO-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001480983166 898427556 /nfs/dbraw/zinc/42/75/56/898427556.db2.gz RIUUTDOXUVLIIO-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001481018825 898504157 /nfs/dbraw/zinc/50/41/57/898504157.db2.gz SHNFVPFAUUYEAM-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001481018825 898504169 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C#CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567688373 1168916682 /nfs/dbraw/zinc/91/66/82/1168916682.db2.gz IDGSFSHODYUYGR-HOTGVXAUSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267937126 900007877 /nfs/dbraw/zinc/00/78/77/900007877.db2.gz IDLVQBZVJZXOFL-KGLIPLIRSA-N 2 1 285.407 1.433 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC ZINC001267990708 900213418 /nfs/dbraw/zinc/21/34/18/900213418.db2.gz WTMJVEHWUQNLIS-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC ZINC001267990708 900213425 /nfs/dbraw/zinc/21/34/25/900213425.db2.gz WTMJVEHWUQNLIS-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001268205859 901567297 /nfs/dbraw/zinc/56/72/97/901567297.db2.gz SGLZQDCSKMYBNX-ZIAGYGMSSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH+]1CC(CNC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)C1 ZINC001481644208 901605202 /nfs/dbraw/zinc/60/52/02/901605202.db2.gz BNGGWBDVVLTOEI-INIZCTEOSA-N 2 1 297.418 1.433 10 30 CDEEMP C=CCCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268348077 901908771 /nfs/dbraw/zinc/90/87/71/901908771.db2.gz GBDOOICYXDRRFX-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481769083 902105273 /nfs/dbraw/zinc/10/52/73/902105273.db2.gz OTYJSOMUNRXSBM-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001481769083 902105278 /nfs/dbraw/zinc/10/52/78/902105278.db2.gz OTYJSOMUNRXSBM-GJZGRUSLSA-N 2 1 297.418 1.222 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482110194 902657545 /nfs/dbraw/zinc/65/75/45/902657545.db2.gz LXUNSTLRLCXTJW-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001482135196 902693752 /nfs/dbraw/zinc/69/37/52/902693752.db2.gz FSVMLRRKRCZZJK-JSGCOSHPSA-N 2 1 290.411 1.282 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001269254472 903614191 /nfs/dbraw/zinc/61/41/91/903614191.db2.gz AIWKNPOZYCLWFH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001269254472 903614195 /nfs/dbraw/zinc/61/41/95/903614195.db2.gz AIWKNPOZYCLWFH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001269254472 903614203 /nfs/dbraw/zinc/61/42/03/903614203.db2.gz AIWKNPOZYCLWFH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001269254472 903614205 /nfs/dbraw/zinc/61/42/05/903614205.db2.gz AIWKNPOZYCLWFH-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269338733 903714063 /nfs/dbraw/zinc/71/40/63/903714063.db2.gz GRPUEWIBPKPBMK-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001269338733 903714070 /nfs/dbraw/zinc/71/40/70/903714070.db2.gz GRPUEWIBPKPBMK-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269887187 904185602 /nfs/dbraw/zinc/18/56/02/904185602.db2.gz UXTIWGKRYWRHCD-ZDUSSCGKSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001270051362 904309504 /nfs/dbraw/zinc/30/95/04/904309504.db2.gz VMHIIRMRXZONSO-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001270298405 904515602 /nfs/dbraw/zinc/51/56/02/904515602.db2.gz GETUHFYFSDDPCU-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001270600379 904777233 /nfs/dbraw/zinc/77/72/33/904777233.db2.gz ZDQSYFKUQPJFSG-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001270600379 904777240 /nfs/dbraw/zinc/77/72/40/904777240.db2.gz ZDQSYFKUQPJFSG-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001270600379 904777245 /nfs/dbraw/zinc/77/72/45/904777245.db2.gz ZDQSYFKUQPJFSG-WBVHZDCISA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001270649789 904879319 /nfs/dbraw/zinc/87/93/19/904879319.db2.gz PUCJCXMSIAJSSU-HIFRSBDPSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001271759042 906781120 /nfs/dbraw/zinc/78/11/20/906781120.db2.gz LFAOLQLRWSZMRL-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[C@H](C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000714994623 909774929 /nfs/dbraw/zinc/77/49/29/909774929.db2.gz ACIWOJFHOXLKAU-SOUVJXGZSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001568077088 1169133173 /nfs/dbraw/zinc/13/31/73/1169133173.db2.gz WIRQGNNFOJFPQD-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001485350748 916871544 /nfs/dbraw/zinc/87/15/44/916871544.db2.gz RBVGCLDVHOSIIA-KBPBESRZSA-N 2 1 267.417 1.177 10 30 CDEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001485433751 916964293 /nfs/dbraw/zinc/96/42/93/916964293.db2.gz BUODKESNPVZBMO-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001272837620 919889615 /nfs/dbraw/zinc/88/96/15/919889615.db2.gz KACFNWUSXSICAO-LSDHHAIUSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001568281192 1169221258 /nfs/dbraw/zinc/22/12/58/1169221258.db2.gz LDVSKTHUHCSWHH-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001486392363 920975929 /nfs/dbraw/zinc/97/59/29/920975929.db2.gz ZHNHOGLYVMTOAS-UONOGXRCSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(Cl)C[NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001486484306 921060676 /nfs/dbraw/zinc/06/06/76/921060676.db2.gz YTDUSGCQJAELTP-UHFFFAOYSA-N 2 1 287.835 1.658 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329790 923741301 /nfs/dbraw/zinc/74/13/01/923741301.db2.gz OYCOFEUHNBORRN-ILXRZTDVSA-N 2 1 252.402 1.778 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000923388510 923802954 /nfs/dbraw/zinc/80/29/54/923802954.db2.gz RHRUOVVHMQKLCS-CAOSSQGBSA-N 2 1 282.428 1.674 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001488735097 926670645 /nfs/dbraw/zinc/67/06/45/926670645.db2.gz JGDMUXOCZFTAOB-OWCLPIDISA-N 2 1 291.439 1.367 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001489299823 926858551 /nfs/dbraw/zinc/85/85/51/926858551.db2.gz FAMOBHJRXBRBHR-PMPSAXMXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001489299823 926858563 /nfs/dbraw/zinc/85/85/63/926858563.db2.gz FAMOBHJRXBRBHR-PMPSAXMXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001489299823 926858575 /nfs/dbraw/zinc/85/85/75/926858575.db2.gz FAMOBHJRXBRBHR-PMPSAXMXSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001490309717 927109437 /nfs/dbraw/zinc/10/94/37/927109437.db2.gz MUTZXESPYYUTDM-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001490579520 927240537 /nfs/dbraw/zinc/24/05/37/927240537.db2.gz DLVZPBSFPBNJGR-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001490579520 927240551 /nfs/dbraw/zinc/24/05/51/927240551.db2.gz DLVZPBSFPBNJGR-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000782053633 937237100 /nfs/dbraw/zinc/23/71/00/937237100.db2.gz SXGKFRCILOTUGT-ZDUSSCGKSA-N 2 1 296.374 1.581 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568505990 1169339199 /nfs/dbraw/zinc/33/91/99/1169339199.db2.gz HSKBXRAGXVLTII-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC001293032952 931603244 /nfs/dbraw/zinc/60/32/44/931603244.db2.gz GZTOCSASQQQZCU-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001275649628 931928321 /nfs/dbraw/zinc/92/83/21/931928321.db2.gz XFRVBHPYSBKVQU-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001275649628 931928324 /nfs/dbraw/zinc/92/83/24/931928324.db2.gz XFRVBHPYSBKVQU-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001275649628 931928329 /nfs/dbraw/zinc/92/83/29/931928329.db2.gz XFRVBHPYSBKVQU-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)C(C)C ZINC000246872776 934853025 /nfs/dbraw/zinc/85/30/25/934853025.db2.gz DDIRSWGIINPOHO-QWHCGFSZSA-N 2 1 254.422 1.667 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C1CCCC1 ZINC001278283046 945252076 /nfs/dbraw/zinc/25/20/76/945252076.db2.gz SFNZIXNJXBOFMX-MRXNPFEDSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@H]2C1 ZINC001276841072 941635488 /nfs/dbraw/zinc/63/54/88/941635488.db2.gz URSQYMKHZULILF-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001276841072 941635489 /nfs/dbraw/zinc/63/54/89/941635489.db2.gz URSQYMKHZULILF-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@H]2C1 ZINC001276841072 941635493 /nfs/dbraw/zinc/63/54/93/941635493.db2.gz URSQYMKHZULILF-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001279628447 942397143 /nfs/dbraw/zinc/39/71/43/942397143.db2.gz JXEXYJUJCJOBHK-MRXNPFEDSA-N 2 1 293.455 1.897 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C ZINC001568798227 1169478617 /nfs/dbraw/zinc/47/86/17/1169478617.db2.gz YQTSBJQDBPBRTJ-UHFFFAOYSA-N 2 1 284.791 1.382 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001282402906 942706489 /nfs/dbraw/zinc/70/64/89/942706489.db2.gz RJIIQUUMYGGAOT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282402906 942706491 /nfs/dbraw/zinc/70/64/91/942706491.db2.gz RJIIQUUMYGGAOT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001282402906 942706494 /nfs/dbraw/zinc/70/64/94/942706494.db2.gz RJIIQUUMYGGAOT-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C[NH+](C)CCCN(CCC#N)C(=O)CC[N@H+]1CC[C@H](F)C1 ZINC001362158903 970956593 /nfs/dbraw/zinc/95/65/93/970956593.db2.gz HFFCTCFYWDFIFD-AWEZNQCLSA-N 2 1 298.406 1.114 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001277597980 943091890 /nfs/dbraw/zinc/09/18/90/943091890.db2.gz NFBZJZQUNVDAGD-SQWLQELKSA-N 2 1 293.455 1.824 10 30 CDEEMP C=CCC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001284544739 943205841 /nfs/dbraw/zinc/20/58/41/943205841.db2.gz KBGJRXXWGCPZOV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001284544739 943205848 /nfs/dbraw/zinc/20/58/48/943205848.db2.gz KBGJRXXWGCPZOV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCC[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001284544739 943205856 /nfs/dbraw/zinc/20/58/56/943205856.db2.gz KBGJRXXWGCPZOV-OAHLLOKOSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001277694450 943344095 /nfs/dbraw/zinc/34/40/95/943344095.db2.gz POXCKQRAJQKBKR-OAHLLOKOSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(=C)C ZINC001277846608 943801199 /nfs/dbraw/zinc/80/11/99/943801199.db2.gz UFMCIHHGCDVNTG-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC(=C)C ZINC001277846608 943801205 /nfs/dbraw/zinc/80/12/05/943801205.db2.gz UFMCIHHGCDVNTG-HOTGVXAUSA-N 2 1 291.439 1.487 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001264393974 944125756 /nfs/dbraw/zinc/12/57/56/944125756.db2.gz RTKKTEIJZCUIIK-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001265200141 944267195 /nfs/dbraw/zinc/26/71/95/944267195.db2.gz KMRPVGDMKMQMRG-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265618901 944448191 /nfs/dbraw/zinc/44/81/91/944448191.db2.gz BVNODTFFTXEUAT-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001265782422 944507067 /nfs/dbraw/zinc/50/70/67/944507067.db2.gz XQWCSCHICCHNJN-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C#CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001479694095 971369426 /nfs/dbraw/zinc/36/94/26/971369426.db2.gz LDPNLRCVESMZJX-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCCC)C1 ZINC001480142541 971599626 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1 293.455 1.873 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001325898341 954129472 /nfs/dbraw/zinc/12/94/72/954129472.db2.gz LNULZRGIFUMVEJ-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001316651823 954255604 /nfs/dbraw/zinc/25/56/04/954255604.db2.gz VVSGZPVLHLABEX-QKPAOTATSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001327212793 954774992 /nfs/dbraw/zinc/77/49/92/954774992.db2.gz JQLLFPNOVJWXPP-HUUCEWRRSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001327212793 954774998 /nfs/dbraw/zinc/77/49/98/954774998.db2.gz JQLLFPNOVJWXPP-HUUCEWRRSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001327212793 954775008 /nfs/dbraw/zinc/77/50/08/954775008.db2.gz JQLLFPNOVJWXPP-HUUCEWRRSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C 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CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498314202 973824009 /nfs/dbraw/zinc/82/40/09/973824009.db2.gz QDQIPKDDULERJC-CQSZACIVSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001501091129 974531702 /nfs/dbraw/zinc/53/17/02/974531702.db2.gz LFUSTKKKDXOXBS-CABCVRRESA-N 2 1 279.428 1.177 10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001502145795 974707462 /nfs/dbraw/zinc/70/74/62/974707462.db2.gz YSVPEFBZSHVNSI-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001502145795 974707465 /nfs/dbraw/zinc/70/74/65/974707465.db2.gz YSVPEFBZSHVNSI-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001502145795 974707469 /nfs/dbraw/zinc/70/74/69/974707469.db2.gz YSVPEFBZSHVNSI-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001502970476 974805319 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C=CC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001689809601 1174668356 /nfs/dbraw/zinc/66/83/56/1174668356.db2.gz AZXKEQZJPFHCCP-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001689809601 1174668360 /nfs/dbraw/zinc/66/83/60/1174668360.db2.gz AZXKEQZJPFHCCP-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001688919003 1175067346 /nfs/dbraw/zinc/06/73/46/1175067346.db2.gz TZLBKEPIQYOGFR-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)CC ZINC001689056015 1175089281 /nfs/dbraw/zinc/08/92/81/1175089281.db2.gz ORGDXWGQWSUDRJ-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1CC ZINC001689176528 1175106125 /nfs/dbraw/zinc/10/61/25/1175106125.db2.gz ALDFJTMXOBRGLO-UONOGXRCSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001689805382 1175264467 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C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941031510 613781246 /nfs/dbraw/zinc/78/12/46/613781246.db2.gz AFBZPIWXCVVVMP-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C(C)(C)C1 ZINC000941031510 613781249 /nfs/dbraw/zinc/78/12/49/613781249.db2.gz AFBZPIWXCVVVMP-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000900204726 622800946 /nfs/dbraw/zinc/80/09/46/622800946.db2.gz OADYZRXSLBZICV-HIFRSBDPSA-N 2 1 281.444 1.731 10 30 CDEEMP N#Cc1ccc(N[C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)nc1 ZINC000903987994 626174684 /nfs/dbraw/zinc/17/46/84/626174684.db2.gz MADRKCUONMBIMD-INIZCTEOSA-N 2 1 299.422 1.829 10 30 CDEEMP C[C@@]1(C[N@@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987746 626174954 /nfs/dbraw/zinc/17/49/54/626174954.db2.gz IHNZTVIOZZOTRF-DOTOQJQBSA-N 2 1 299.422 1.829 10 30 CDEEMP C[C@@]1(C[N@H+]2CCC[C@H](Nc3ccc(C#N)cn3)C2)CC[NH2+]C1 ZINC000903987746 626174956 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C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001671308517 1158725958 /nfs/dbraw/zinc/72/59/58/1158725958.db2.gz GZRWKMMJUUVFQX-GJZGRUSLSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCF ZINC001671308517 1158725964 /nfs/dbraw/zinc/72/59/64/1158725964.db2.gz GZRWKMMJUUVFQX-GJZGRUSLSA-N 2 1 295.402 1.024 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691114777 1158916552 /nfs/dbraw/zinc/91/65/52/1158916552.db2.gz VYJMKKMYSDDKBZ-HRCADAONSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691043680 1158689528 /nfs/dbraw/zinc/68/95/28/1158689528.db2.gz VIEMMCJSVWHYBA-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001691043680 1158689530 /nfs/dbraw/zinc/68/95/30/1158689530.db2.gz VIEMMCJSVWHYBA-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001691043680 1158689536 /nfs/dbraw/zinc/68/95/36/1158689536.db2.gz VIEMMCJSVWHYBA-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001691208948 1158955614 /nfs/dbraw/zinc/95/56/14/1158955614.db2.gz LZLIKMMMKBQPHW-INIZCTEOSA-N 2 1 291.439 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001269083901 1160029046 /nfs/dbraw/zinc/02/90/46/1160029046.db2.gz HQJJBYSETBDMQD-HOTGVXAUSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001483592226 1160953728 /nfs/dbraw/zinc/95/37/28/1160953728.db2.gz LDSQDXJKKMNRDU-HOTGVXAUSA-N 2 1 291.439 1.367 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001275039393 1166654945 /nfs/dbraw/zinc/65/49/45/1166654945.db2.gz SSBXYLKCJLULEH-UKRRQHHQSA-N 2 1 275.396 1.570 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001566625425 1168361643 /nfs/dbraw/zinc/36/16/43/1168361643.db2.gz JDWJVTUATGFKKC-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001566844858 1168442193 /nfs/dbraw/zinc/44/21/93/1168442193.db2.gz WUAYIOUKPGBKKV-QKPAOTATSA-N 2 1 291.439 1.816 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001566973076 1168484213 /nfs/dbraw/zinc/48/42/13/1168484213.db2.gz POCQIRXLFOCVOT-AALSBFMBSA-N 2 1 293.455 1.728 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001567017330 1168511429 /nfs/dbraw/zinc/51/14/29/1168511429.db2.gz YXVOMMAPGCROOI-KGLIPLIRSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567201516 1168615688 /nfs/dbraw/zinc/61/56/88/1168615688.db2.gz BUWNUFHTVSQISF-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001567201516 1168615692 /nfs/dbraw/zinc/61/56/92/1168615692.db2.gz BUWNUFHTVSQISF-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)CC)C1 ZINC001567201516 1168615698 /nfs/dbraw/zinc/61/56/98/1168615698.db2.gz BUWNUFHTVSQISF-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C(C)C)CCCC1 ZINC001568237000 1169194399 /nfs/dbraw/zinc/19/43/99/1169194399.db2.gz KRSAPYLVCOSESF-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C(C)C)CCCC1 ZINC001568237000 1169194404 /nfs/dbraw/zinc/19/44/04/1169194404.db2.gz KRSAPYLVCOSESF-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001649462818 1169265430 /nfs/dbraw/zinc/26/54/30/1169265430.db2.gz YUMMFEQOGSXREN-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001568458725 1169298350 /nfs/dbraw/zinc/29/83/50/1169298350.db2.gz CBOQTZLILZOESY-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569308331 1169757848 /nfs/dbraw/zinc/75/78/48/1169757848.db2.gz ZMKAPIQOZUBVMT-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1C ZINC001657017459 1171916568 /nfs/dbraw/zinc/91/65/68/1171916568.db2.gz GOQOTFBRUIHRSN-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001657017459 1171916581 /nfs/dbraw/zinc/91/65/81/1171916581.db2.gz GOQOTFBRUIHRSN-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001657017459 1171916595 /nfs/dbraw/zinc/91/65/95/1171916595.db2.gz GOQOTFBRUIHRSN-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001661724541 1172435868 /nfs/dbraw/zinc/43/58/68/1172435868.db2.gz WGOUVQKSAXEQKB-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001661724541 1172435875 /nfs/dbraw/zinc/43/58/75/1172435875.db2.gz WGOUVQKSAXEQKB-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001661724541 1172435877 /nfs/dbraw/zinc/43/58/77/1172435877.db2.gz WGOUVQKSAXEQKB-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001662577988 1172561687 /nfs/dbraw/zinc/56/16/87/1172561687.db2.gz LTGDXLNLQOVLRA-IRXDYDNUSA-N 2 1 299.418 1.503 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001662722499 1172586249 /nfs/dbraw/zinc/58/62/49/1172586249.db2.gz MZJXPVGYZHGGLV-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001663388884 1172687013 /nfs/dbraw/zinc/68/70/13/1172687013.db2.gz KLXKNRBPMFLRQF-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001663388884 1172687019 /nfs/dbraw/zinc/68/70/19/1172687019.db2.gz KLXKNRBPMFLRQF-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001663388884 1172687027 /nfs/dbraw/zinc/68/70/27/1172687027.db2.gz KLXKNRBPMFLRQF-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001664227810 1172828136 /nfs/dbraw/zinc/82/81/36/1172828136.db2.gz WZUOQPAICKROOA-CQSZACIVSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001664734322 1172901123 /nfs/dbraw/zinc/90/11/23/1172901123.db2.gz FAIUVAIGURSCTQ-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001664849591 1172920039 /nfs/dbraw/zinc/92/00/39/1172920039.db2.gz RTRVLSXDGFWCLK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001664849591 1172920044 /nfs/dbraw/zinc/92/00/44/1172920044.db2.gz RTRVLSXDGFWCLK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001664849591 1172920048 /nfs/dbraw/zinc/92/00/48/1172920048.db2.gz RTRVLSXDGFWCLK-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674457867 1173948798 /nfs/dbraw/zinc/94/87/98/1173948798.db2.gz OMSHFSVDMSYZJR-CQSZACIVSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@]23CC[N@@H+](C2)CCC3)C1 ZINC001690753163 1175563731 /nfs/dbraw/zinc/56/37/31/1175563731.db2.gz BDSPTRSLKKQLCU-HOCLYGCPSA-N 2 1 277.412 1.096 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001691978985 1175661877 /nfs/dbraw/zinc/66/18/77/1175661877.db2.gz BWNHUAWVCLIFDQ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001691978985 1175661881 /nfs/dbraw/zinc/66/18/81/1175661881.db2.gz BWNHUAWVCLIFDQ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001691978985 1175661886 /nfs/dbraw/zinc/66/18/86/1175661886.db2.gz BWNHUAWVCLIFDQ-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CCCn1cc[nH+]c1C ZINC001698733417 1175907716 /nfs/dbraw/zinc/90/77/16/1175907716.db2.gz AULWGGQMMDHMHD-OAHLLOKOSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001698769307 1175924886 /nfs/dbraw/zinc/92/48/86/1175924886.db2.gz YLRBZNUUIMHUIS-KGLIPLIRSA-N 2 1 267.417 1.246 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001698988643 1176017211 /nfs/dbraw/zinc/01/72/11/1176017211.db2.gz JQWNVDOFNGKYRN-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698988643 1176017221 /nfs/dbraw/zinc/01/72/21/1176017221.db2.gz JQWNVDOFNGKYRN-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001698988643 1176017230 /nfs/dbraw/zinc/01/72/30/1176017230.db2.gz JQWNVDOFNGKYRN-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1 ZINC001699267562 1176187379 /nfs/dbraw/zinc/18/73/79/1176187379.db2.gz KRLLBQRZLDMVJN-ONEGZZNKSA-N 2 1 285.819 1.485 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699450212 1176414712 /nfs/dbraw/zinc/41/47/12/1176414712.db2.gz JFWHPSDWELHMHR-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001699760445 1176610828 /nfs/dbraw/zinc/61/08/28/1176610828.db2.gz LCTDDJMLHLWXLK-HOTGVXAUSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001700630819 1177042927 /nfs/dbraw/zinc/04/29/27/1177042927.db2.gz DOUACKGSANIJKU-KBUPBQIOSA-N 2 1 279.428 1.387 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001700882822 1177177875 /nfs/dbraw/zinc/17/78/75/1177177875.db2.gz PBEHDBLQZFYKBT-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001707269811 1177985920 /nfs/dbraw/zinc/98/59/20/1177985920.db2.gz WSGJFHLHUFNRAF-OWCLPIDISA-N 2 1 293.455 1.872 10 30 CDEEMP C#CC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001713257643 1178455534 /nfs/dbraw/zinc/45/55/34/1178455534.db2.gz HGVYRUHWDPUVIY-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713257643 1178455536 /nfs/dbraw/zinc/45/55/36/1178455536.db2.gz HGVYRUHWDPUVIY-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713257643 1178455541 /nfs/dbraw/zinc/45/55/41/1178455541.db2.gz HGVYRUHWDPUVIY-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001713457713 1178577058 /nfs/dbraw/zinc/57/70/58/1178577058.db2.gz LIAITSGIOXGGNH-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001713457713 1178577064 /nfs/dbraw/zinc/57/70/64/1178577064.db2.gz LIAITSGIOXGGNH-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001713457713 1178577066 /nfs/dbraw/zinc/57/70/66/1178577066.db2.gz LIAITSGIOXGGNH-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001713549453 1178639823 /nfs/dbraw/zinc/63/98/23/1178639823.db2.gz RSCBDGFRPNUQLC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001713549453 1178639824 /nfs/dbraw/zinc/63/98/24/1178639824.db2.gz RSCBDGFRPNUQLC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CCC)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001713549453 1178639826 /nfs/dbraw/zinc/63/98/26/1178639826.db2.gz RSCBDGFRPNUQLC-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713683942 1178708084 /nfs/dbraw/zinc/70/80/84/1178708084.db2.gz GDIOESDOVSFEBP-ZBFHGGJFSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001713906240 1178835342 /nfs/dbraw/zinc/83/53/42/1178835342.db2.gz NZICCYOHKOQJET-INIZCTEOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001713949387 1178880323 /nfs/dbraw/zinc/88/03/23/1178880323.db2.gz ORSCPKXIAPJEBN-IHRRRGAJSA-N 2 1 288.395 1.267 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001714022578 1178932164 /nfs/dbraw/zinc/93/21/64/1178932164.db2.gz URJSGRWJDYTHST-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001714022578 1178932173 /nfs/dbraw/zinc/93/21/73/1178932173.db2.gz URJSGRWJDYTHST-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CCC)C1 ZINC001714022578 1178932177 /nfs/dbraw/zinc/93/21/77/1178932177.db2.gz URJSGRWJDYTHST-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001714238288 1179039977 /nfs/dbraw/zinc/03/99/77/1179039977.db2.gz DGIQBBXEQICBCC-LSDHHAIUSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001714242170 1179041583 /nfs/dbraw/zinc/04/15/83/1179041583.db2.gz WVSFBVUKXWNWEK-DZGCQCFKSA-N 2 1 279.428 1.674 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001714557529 1179213369 /nfs/dbraw/zinc/21/33/69/1179213369.db2.gz ZLAWEWPGQKHLBU-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001714557529 1179213373 /nfs/dbraw/zinc/21/33/73/1179213373.db2.gz ZLAWEWPGQKHLBU-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001714583207 1179241373 /nfs/dbraw/zinc/24/13/73/1179241373.db2.gz JCBCVULCASGXAS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001714583207 1179241380 /nfs/dbraw/zinc/24/13/80/1179241380.db2.gz JCBCVULCASGXAS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001714583207 1179241387 /nfs/dbraw/zinc/24/13/87/1179241387.db2.gz JCBCVULCASGXAS-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714649322 1179296720 /nfs/dbraw/zinc/29/67/20/1179296720.db2.gz VCMIFQYTWBWICL-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP 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CDEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731506755 1182424462 /nfs/dbraw/zinc/42/44/62/1182424462.db2.gz IXEUJDWOBIVKAD-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731623182 1182485900 /nfs/dbraw/zinc/48/59/00/1182485900.db2.gz OIMNSHFTIALSRS-CYBMUJFWSA-N 2 1 278.400 1.677 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001731732014 1182538530 /nfs/dbraw/zinc/53/85/30/1182538530.db2.gz HSEUFLKLPXQHDU-ILXRZTDVSA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+](C)C ZINC001731754533 1182550817 /nfs/dbraw/zinc/55/08/17/1182550817.db2.gz PKPMTQKHQLFJAP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001732040113 1182734873 /nfs/dbraw/zinc/73/48/73/1182734873.db2.gz XQPKLMXUWSLEAL-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)Cn2c[nH+]cc2C)C1 ZINC001732040113 1182734878 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CDEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001733812818 1183537654 /nfs/dbraw/zinc/53/76/54/1183537654.db2.gz KFDCBPTWSHWLMY-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001733880136 1183557046 /nfs/dbraw/zinc/55/70/46/1183557046.db2.gz XKCDNTRXMIZXTI-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001733880136 1183557048 /nfs/dbraw/zinc/55/70/48/1183557048.db2.gz XKCDNTRXMIZXTI-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001733880136 1183557053 /nfs/dbraw/zinc/55/70/53/1183557053.db2.gz XKCDNTRXMIZXTI-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1C ZINC001734456968 1183786010 /nfs/dbraw/zinc/78/60/10/1183786010.db2.gz HRKDKUNYAJDQMC-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C(C)(C)C ZINC001734575232 1183831500 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C[C@H](CCC#N)[NH+]1CCC(N2CCCOCC2)CC1 ZINC000931287585 735178263 /nfs/dbraw/zinc/17/82/63/735178263.db2.gz RYYOOBMWTMANMA-CQSZACIVSA-N 2 1 265.401 1.865 10 30 CDEEMP C[NH2+]C[C@@](C)(O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000866698071 735241835 /nfs/dbraw/zinc/24/18/35/735241835.db2.gz MKONSBBKSDEEAU-OAHLLOKOSA-N 2 1 261.369 1.003 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001642856591 1167206923 /nfs/dbraw/zinc/20/69/23/1167206923.db2.gz ZPVLYMXVSZXNLB-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001642856591 1167206928 /nfs/dbraw/zinc/20/69/28/1167206928.db2.gz ZPVLYMXVSZXNLB-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001565900672 1168198445 /nfs/dbraw/zinc/19/84/45/1168198445.db2.gz UJBVZUOIDQTDOQ-ARFHVFGLSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001566785749 1168421103 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C=CC[NH+](CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21)C1CC1 ZINC001567451117 1168774155 /nfs/dbraw/zinc/77/41/55/1168774155.db2.gz DODLWYQKRWHJFY-JKSUJKDBSA-N 2 1 291.439 1.770 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001266430710 894838950 /nfs/dbraw/zinc/83/89/50/894838950.db2.gz ALRFUHMOWLTPMU-OAHLLOKOSA-N 2 1 293.455 1.472 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001567495051 1168810480 /nfs/dbraw/zinc/81/04/80/1168810480.db2.gz UDLIREPWHUIZOO-CYBMUJFWSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001567494750 1168809599 /nfs/dbraw/zinc/80/95/99/1168809599.db2.gz MYGXWAYYTGZHQT-AWEZNQCLSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267044419 896627050 /nfs/dbraw/zinc/62/70/50/896627050.db2.gz RBEWTEDIJGEOOK-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001267255516 897353503 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C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001441377724 964483613 /nfs/dbraw/zinc/48/36/13/964483613.db2.gz IAUIRGMZZGWGHC-JOCQHMNTSA-N 2 1 287.835 1.565 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001441865412 964757276 /nfs/dbraw/zinc/75/72/76/964757276.db2.gz OGXIXHYFSIBWJQ-QWHCGFSZSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC001556467023 965048427 /nfs/dbraw/zinc/04/84/27/965048427.db2.gz WUJPDOJBPOBXEE-CQSZACIVSA-N 2 1 299.484 1.390 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC001556467023 965048436 /nfs/dbraw/zinc/04/84/36/965048436.db2.gz WUJPDOJBPOBXEE-CQSZACIVSA-N 2 1 299.484 1.390 10 30 CDEEMP C=CC[NH+](C)CCN(CC)C(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC001556467023 965048442 /nfs/dbraw/zinc/04/84/42/965048442.db2.gz WUJPDOJBPOBXEE-CQSZACIVSA-N 2 1 299.484 1.390 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([N@H+](C)CC)C1 ZINC001558875811 965369258 /nfs/dbraw/zinc/36/92/58/965369258.db2.gz PFJMEMSSYFSCPD-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC001539017739 967079278 /nfs/dbraw/zinc/07/92/78/967079278.db2.gz RVDSDGDPVLIPIC-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001448611217 967171605 /nfs/dbraw/zinc/17/16/05/967171605.db2.gz BVUSNNZHPMXPEL-KGLIPLIRSA-N 2 1 299.846 1.517 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001569562073 1169925732 /nfs/dbraw/zinc/92/57/32/1169925732.db2.gz DDLNERPDWWZXNY-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCC1 ZINC001495918708 972701105 /nfs/dbraw/zinc/70/11/05/972701105.db2.gz KDICWCMEZRSGAX-HNNXBMFYSA-N 2 1 291.439 1.513 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001496184096 972832582 /nfs/dbraw/zinc/83/25/82/972832582.db2.gz STFCFMYHDMKRDG-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C#CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497619742 973436309 /nfs/dbraw/zinc/43/63/09/973436309.db2.gz GOPCMCPMJCILDP-LLYBFZRZSA-N 2 1 277.412 1.002 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001498119033 973692831 /nfs/dbraw/zinc/69/28/31/973692831.db2.gz XQXMZGJZDBIEEW-WCQYABFASA-N 2 1 276.384 1.034 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500549420 974449154 /nfs/dbraw/zinc/44/91/54/974449154.db2.gz ANQFGKNCVCPKFB-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500549420 974449156 /nfs/dbraw/zinc/44/91/56/974449156.db2.gz ANQFGKNCVCPKFB-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500549420 974449157 /nfs/dbraw/zinc/44/91/57/974449157.db2.gz ANQFGKNCVCPKFB-NVXWUHKLSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001502836466 974792449 /nfs/dbraw/zinc/79/24/49/974792449.db2.gz PQAHATQMSYNYDW-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001505434238 974877414 /nfs/dbraw/zinc/87/74/14/974877414.db2.gz NHOBAUUEKXTDNZ-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001505434238 974877416 /nfs/dbraw/zinc/87/74/16/974877416.db2.gz NHOBAUUEKXTDNZ-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001505445982 974881313 /nfs/dbraw/zinc/88/13/13/974881313.db2.gz BDSIKGCPSYMUPP-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505445982 974881318 /nfs/dbraw/zinc/88/13/18/974881318.db2.gz BDSIKGCPSYMUPP-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001505445982 974881321 /nfs/dbraw/zinc/88/13/21/974881321.db2.gz BDSIKGCPSYMUPP-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001508144436 975622952 /nfs/dbraw/zinc/62/29/52/975622952.db2.gz BXPUZEZBIMAILT-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001379250382 975729883 /nfs/dbraw/zinc/72/98/83/975729883.db2.gz ROWPAIVODIGFGY-OLZOCXBDSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001379579891 975933775 /nfs/dbraw/zinc/93/37/75/975933775.db2.gz AKLWJOVFMLMRFJ-CHWSQXEVSA-N 2 1 287.835 1.658 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001394366341 978143138 /nfs/dbraw/zinc/14/31/38/978143138.db2.gz HSQMFLIDGIEBHO-JHJVBQTASA-N 2 1 285.819 1.318 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001571322344 1170364984 /nfs/dbraw/zinc/36/49/84/1170364984.db2.gz ODLXXNIKEWTIKB-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001571325635 1170366662 /nfs/dbraw/zinc/36/66/62/1170366662.db2.gz FMANPRHIHAEGGH-CQSZACIVSA-N 2 1 267.417 1.224 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001571559980 1170477625 /nfs/dbraw/zinc/47/76/25/1170477625.db2.gz PGZGWURFTVXOQG-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[N@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001571614954 1170496352 /nfs/dbraw/zinc/49/63/52/1170496352.db2.gz ZVNRHHHKUPWIAF-UHFFFAOYSA-N 2 1 281.444 1.683 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656098024 1171764664 /nfs/dbraw/zinc/76/46/64/1171764664.db2.gz QIVVJUSHWVEBEJ-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])c1nc(C2([NH3+])CCCC2)no1 ZINC000593942246 342859488 /nfs/dbraw/zinc/85/94/88/342859488.db2.gz DKQHGGIQGCGATJ-SNVBAGLBSA-N 2 1 263.345 1.881 10 30 CDEEMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccc(C#N)cc1)CCO2 ZINC000595559907 343097843 /nfs/dbraw/zinc/09/78/43/343097843.db2.gz WPNUADOZEPAXQY-UHFFFAOYSA-N 2 1 299.418 1.897 10 30 CDEEMP C[NH+](C)CCCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000602082117 344328463 /nfs/dbraw/zinc/32/84/63/344328463.db2.gz HFYMPHIAPNTWMT-CHWSQXEVSA-N 2 1 289.383 1.207 10 30 CDEEMP COC[C@H](C)[N@@H+](C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609584 522594686 /nfs/dbraw/zinc/59/46/86/522594686.db2.gz GWYLCCLLUYEAMW-LBPRGKRZSA-N 2 1 264.344 1.603 10 30 CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001660368823 1172205171 /nfs/dbraw/zinc/20/51/71/1172205171.db2.gz KYZZSEUHPMCBTG-UHFFFAOYSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)C1CC1 ZINC001661136473 1172342105 /nfs/dbraw/zinc/34/21/05/1172342105.db2.gz KDJWFGYKKCXDAO-OAHLLOKOSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CC1CCCC1 ZINC001663201361 1172655025 /nfs/dbraw/zinc/65/50/25/1172655025.db2.gz QOIDEPOBIYLTLU-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CC1CCCC1 ZINC001663201361 1172655029 /nfs/dbraw/zinc/65/50/29/1172655029.db2.gz QOIDEPOBIYLTLU-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCCC1 ZINC001663201361 1172655033 /nfs/dbraw/zinc/65/50/33/1172655033.db2.gz QOIDEPOBIYLTLU-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CC1CCCC1 ZINC001663201361 1172655039 /nfs/dbraw/zinc/65/50/39/1172655039.db2.gz QOIDEPOBIYLTLU-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001663288908 1172668585 /nfs/dbraw/zinc/66/85/85/1172668585.db2.gz WRZMAIPCUNRZMA-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001663288908 1172668590 /nfs/dbraw/zinc/66/85/90/1172668590.db2.gz WRZMAIPCUNRZMA-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001663288908 1172668594 /nfs/dbraw/zinc/66/85/94/1172668594.db2.gz WRZMAIPCUNRZMA-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@@H+](CCO)C2CC2)c1 ZINC000043689091 175095685 /nfs/dbraw/zinc/09/56/85/175095685.db2.gz ZZWHEOQEBRQFDK-UHFFFAOYSA-N 2 1 250.367 1.015 10 30 CDEEMP CN1CCC([N@@H+](C)Cc2cc(C#CC[NH3+])cs2)CC1 ZINC000043688823 175096057 /nfs/dbraw/zinc/09/60/57/175096057.db2.gz VIDFKVWOYWLMHX-UHFFFAOYSA-N 2 1 277.437 1.584 10 30 CDEEMP CN(Cc1cc(C#CC[NH3+])cs1)C1CC[NH+](C)CC1 ZINC000043688823 175096059 /nfs/dbraw/zinc/09/60/59/175096059.db2.gz VIDFKVWOYWLMHX-UHFFFAOYSA-N 2 1 277.437 1.584 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)CCC=C)CC1 ZINC001667669496 1173310292 /nfs/dbraw/zinc/31/02/92/1173310292.db2.gz VBPUYOKNZOTKCH-UHFFFAOYSA-N 2 1 291.439 1.298 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001667764498 1173322836 /nfs/dbraw/zinc/32/28/36/1173322836.db2.gz QHUQGBZKSLRGNG-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001267054915 1159101650 /nfs/dbraw/zinc/10/16/50/1159101650.db2.gz HLURDGCBMKEVOC-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001691473488 1159333779 /nfs/dbraw/zinc/33/37/79/1159333779.db2.gz PZGJGYZSLQUMTC-SOUVJXGZSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001699004782 1176035266 /nfs/dbraw/zinc/03/52/66/1176035266.db2.gz ZOJCXZFHFHBMOF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001699461326 1159662048 /nfs/dbraw/zinc/66/20/48/1159662048.db2.gz RSVLBQSLHIXJTJ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699461326 1159662067 /nfs/dbraw/zinc/66/20/67/1159662067.db2.gz RSVLBQSLHIXJTJ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001699461326 1159662071 /nfs/dbraw/zinc/66/20/71/1159662071.db2.gz RSVLBQSLHIXJTJ-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001270737327 1160143319 /nfs/dbraw/zinc/14/33/19/1160143319.db2.gz KKFPAEGDZBUJHF-DOTOQJQBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000679374397 483351639 /nfs/dbraw/zinc/35/16/39/483351639.db2.gz HJUVZRGJUGTTCQ-FCLJQHQZSA-N 2 1 293.455 1.166 10 30 CDEEMP CC(C)C[NH+]1CCN(CCCC[C@@](C)([NH3+])C#N)CC1 ZINC000055081134 519725426 /nfs/dbraw/zinc/72/54/26/519725426.db2.gz MCOVKSYLBCKDKD-OAHLLOKOSA-N 2 1 266.433 1.671 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001691671141 1161500430 /nfs/dbraw/zinc/50/04/30/1161500430.db2.gz ASEBDZKARYZWGC-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001715350684 1179637356 /nfs/dbraw/zinc/63/73/56/1179637356.db2.gz ULUNLXACFAGJNG-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001722917219 1181492978 /nfs/dbraw/zinc/49/29/78/1181492978.db2.gz RJUCGWGEWJKMBV-LSDHHAIUSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)CCC[NH+](C)C)C(C)C ZINC001734552316 1183822760 /nfs/dbraw/zinc/82/27/60/1183822760.db2.gz QGIZLLRNWVMIQV-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP CC1(C)C[N@H+](Cc2ccccc2C#CC[NH3+])CCO1 ZINC000049609326 520483553 /nfs/dbraw/zinc/48/35/53/520483553.db2.gz KKSGIWMOBBYYOA-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP CC1(C)C[N@@H+](Cc2ccccc2C#CC[NH3+])CCO1 ZINC000049609326 520483558 /nfs/dbraw/zinc/48/35/58/520483558.db2.gz KKSGIWMOBBYYOA-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP CC[C@@H]1COCC[N@@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609345 523500149 /nfs/dbraw/zinc/50/01/49/523500149.db2.gz VHJKMVGXBWSRET-MRXNPFEDSA-N 2 1 288.391 1.486 10 30 CDEEMP CC[C@@H]1COCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609345 523500160 /nfs/dbraw/zinc/50/01/60/523500160.db2.gz VHJKMVGXBWSRET-MRXNPFEDSA-N 2 1 288.391 1.486 10 30 CDEEMP COc1ccc(C#CC[NH3+])cc1Cn1cc[nH+]c1C ZINC000049610087 523517159 /nfs/dbraw/zinc/51/71/59/523517159.db2.gz MSESDFFSMFKWHF-UHFFFAOYSA-N 2 1 255.321 1.559 10 30 CDEEMP COc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)cc1C#CC[NH3+] ZINC000049609679 524004956 /nfs/dbraw/zinc/00/49/56/524004956.db2.gz ZPIZRZXSJWIQQO-INIZCTEOSA-N 2 1 288.391 1.616 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001690106656 1175376663 /nfs/dbraw/zinc/37/66/63/1175376663.db2.gz GSTAUWWXLYFFGP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001690106656 1175376668 /nfs/dbraw/zinc/37/66/68/1175376668.db2.gz GSTAUWWXLYFFGP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001690106656 1175376674 /nfs/dbraw/zinc/37/66/74/1175376674.db2.gz GSTAUWWXLYFFGP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001690106656 1175376676 /nfs/dbraw/zinc/37/66/76/1175376676.db2.gz GSTAUWWXLYFFGP-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000923424571 618328516 /nfs/dbraw/zinc/32/85/16/618328516.db2.gz GIIUVYMWTVDIOC-OUAUKWLOSA-N 2 1 266.307 1.383 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000909555443 620288572 /nfs/dbraw/zinc/28/85/72/620288572.db2.gz AWGOGFXZJGBDKD-UHFFFAOYSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCCCn1cc[nH+]c1C ZINC000900826174 623533524 /nfs/dbraw/zinc/53/35/24/623533524.db2.gz MAHSGRSFTSNKIE-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000900832703 623549552 /nfs/dbraw/zinc/54/95/52/623549552.db2.gz UUOXCHOPCSLCJX-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@]1(C)CCCCO1 ZINC000902953778 625688436 /nfs/dbraw/zinc/68/84/36/625688436.db2.gz JYRRSHJXAWENEG-ULQDDVLXSA-N 2 1 296.455 1.937 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@]1(C)CCCCO1 ZINC000902953778 625688457 /nfs/dbraw/zinc/68/84/57/625688457.db2.gz JYRRSHJXAWENEG-ULQDDVLXSA-N 2 1 296.455 1.937 10 30 CDEEMP C=CC[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C)COC ZINC000903768193 626085509 /nfs/dbraw/zinc/08/55/09/626085509.db2.gz LTUVXMQFEGNSQW-ILXRZTDVSA-N 2 1 268.401 1.278 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1CCCC=C ZINC001670651663 1158675031 /nfs/dbraw/zinc/67/50/31/1158675031.db2.gz WOIDXUIKKKSPBH-HOTGVXAUSA-N 2 1 289.423 1.241 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001724860721 1158839107 /nfs/dbraw/zinc/83/91/07/1158839107.db2.gz QEINPBCALWHKNG-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691159434 1158939484 /nfs/dbraw/zinc/93/94/84/1158939484.db2.gz DSDKEPVKOCHKLW-AWEZNQCLSA-N 2 1 290.411 1.631 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691159434 1158939488 /nfs/dbraw/zinc/93/94/88/1158939488.db2.gz DSDKEPVKOCHKLW-AWEZNQCLSA-N 2 1 290.411 1.631 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001671564892 1158669908 /nfs/dbraw/zinc/66/99/08/1158669908.db2.gz ZSSAAFPFMJKRFL-HZPDHXFCSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CC1 ZINC001691227664 1158965827 /nfs/dbraw/zinc/96/58/27/1158965827.db2.gz CFPWDVSDIIBVQC-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001691227664 1158965831 /nfs/dbraw/zinc/96/58/31/1158965831.db2.gz CFPWDVSDIIBVQC-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001691227664 1158965836 /nfs/dbraw/zinc/96/58/36/1158965836.db2.gz CFPWDVSDIIBVQC-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C1CC1 ZINC001691227664 1158965841 /nfs/dbraw/zinc/96/58/41/1158965841.db2.gz CFPWDVSDIIBVQC-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267652950 1159556527 /nfs/dbraw/zinc/55/65/27/1159556527.db2.gz HVKRUZTUPXVSSB-BZUAXINKSA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001267652950 1159556532 /nfs/dbraw/zinc/55/65/32/1159556532.db2.gz HVKRUZTUPXVSSB-BZUAXINKSA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267652950 1159556537 /nfs/dbraw/zinc/55/65/37/1159556537.db2.gz HVKRUZTUPXVSSB-BZUAXINKSA-N 2 1 291.439 1.130 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001699461321 1159661890 /nfs/dbraw/zinc/66/18/90/1159661890.db2.gz RSVLBQSLHIXJTJ-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699461321 1159661893 /nfs/dbraw/zinc/66/18/93/1159661893.db2.gz RSVLBQSLHIXJTJ-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001699461321 1159661895 /nfs/dbraw/zinc/66/18/95/1159661895.db2.gz RSVLBQSLHIXJTJ-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001482816694 1160637151 /nfs/dbraw/zinc/63/71/51/1160637151.db2.gz JAFBEORDDFOQNV-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC001633422126 1166420912 /nfs/dbraw/zinc/42/09/12/1166420912.db2.gz WWJGZCDJTLYHGN-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001567036023 1168521821 /nfs/dbraw/zinc/52/18/21/1168521821.db2.gz GSUDAIDGFWSMRU-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001567104555 1168562678 /nfs/dbraw/zinc/56/26/78/1168562678.db2.gz UWTBLQMEEMNENQ-AWEZNQCLSA-N 2 1 288.395 1.220 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567711613 1168930573 /nfs/dbraw/zinc/93/05/73/1168930573.db2.gz CZBVWSQQCUNBAL-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001568430975 1169284182 /nfs/dbraw/zinc/28/41/82/1169284182.db2.gz CKWKJOYYHYZRPP-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653246 1170224571 /nfs/dbraw/zinc/22/45/71/1170224571.db2.gz OSZQCALZRWXDIV-STQMWFEESA-N 2 1 255.406 1.386 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)CC ZINC001571412042 1170418178 /nfs/dbraw/zinc/41/81/78/1170418178.db2.gz RBOZHICFPKNZFQ-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001571502352 1170457425 /nfs/dbraw/zinc/45/74/25/1170457425.db2.gz DAIFKKLGLABZBP-HOCLYGCPSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001571630804 1170502148 /nfs/dbraw/zinc/50/21/48/1170502148.db2.gz NDXPYNWSZZNRPM-LSDHHAIUSA-N 2 1 293.455 1.615 10 30 CDEEMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C)[NH2+]CC#Cc1ccccc1 ZINC001662303037 1172524155 /nfs/dbraw/zinc/52/41/55/1172524155.db2.gz HQCXXZQPNZKHND-NVXWUHKLSA-N 2 1 299.418 1.227 10 30 CDEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001664462865 1172857047 /nfs/dbraw/zinc/85/70/47/1172857047.db2.gz MNBULBURIGOHNN-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001669399538 1173546533 /nfs/dbraw/zinc/54/65/33/1173546533.db2.gz CKMHKEDRKGXDFK-CYBMUJFWSA-N 2 1 269.433 1.635 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001690199567 1175402436 /nfs/dbraw/zinc/40/24/36/1175402436.db2.gz UWXKGRJSXNSXDZ-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001690199567 1175402442 /nfs/dbraw/zinc/40/24/42/1175402442.db2.gz UWXKGRJSXNSXDZ-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001690199567 1175402446 /nfs/dbraw/zinc/40/24/46/1175402446.db2.gz UWXKGRJSXNSXDZ-INIZCTEOSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001692135448 1175681643 /nfs/dbraw/zinc/68/16/43/1175681643.db2.gz VBCWUTLETWDTPJ-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CCN(C)CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001699004782 1176035247 /nfs/dbraw/zinc/03/52/47/1176035247.db2.gz ZOJCXZFHFHBMOF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001699004782 1176035255 /nfs/dbraw/zinc/03/52/55/1176035255.db2.gz ZOJCXZFHFHBMOF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001699004782 1176035261 /nfs/dbraw/zinc/03/52/61/1176035261.db2.gz ZOJCXZFHFHBMOF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001699004782 1176035263 /nfs/dbraw/zinc/03/52/63/1176035263.db2.gz ZOJCXZFHFHBMOF-GASCZTMLSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001699510854 1176456594 /nfs/dbraw/zinc/45/65/94/1176456594.db2.gz ARUOHEYKYRPOLQ-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001699650756 1176548978 /nfs/dbraw/zinc/54/89/78/1176548978.db2.gz CNXJJASSLKGUFO-CQSZACIVSA-N 2 1 277.412 1.121 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H](C)C1 ZINC001699734446 1176598082 /nfs/dbraw/zinc/59/80/82/1176598082.db2.gz NKYXZUYPNZSIOS-LSDHHAIUSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H](C)C1 ZINC001699740386 1176599257 /nfs/dbraw/zinc/59/92/57/1176599257.db2.gz QJULNMMCILWDID-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001700178912 1176784754 /nfs/dbraw/zinc/78/47/54/1176784754.db2.gz LLDXMJXWOQWLPT-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001700178912 1176784756 /nfs/dbraw/zinc/78/47/56/1176784756.db2.gz LLDXMJXWOQWLPT-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001700178912 1176784758 /nfs/dbraw/zinc/78/47/58/1176784758.db2.gz LLDXMJXWOQWLPT-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700278244 1176830117 /nfs/dbraw/zinc/83/01/17/1176830117.db2.gz ARLRSFUTHRFQLK-ZDUSSCGKSA-N 2 1 265.401 1.237 10 30 CDEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)Cn1c[nH+]cc1C ZINC001700519520 1176993252 /nfs/dbraw/zinc/99/32/52/1176993252.db2.gz UXZADYUJFDHRAL-HNNXBMFYSA-N 2 1 290.411 1.479 10 30 CDEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001700546444 1177009920 /nfs/dbraw/zinc/00/99/20/1177009920.db2.gz QMGMPNBOIFXUTI-CQSZACIVSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCC[NH+]1CC=C(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001701059771 1177261400 /nfs/dbraw/zinc/26/14/00/1177261400.db2.gz IGRJXTMQKCEDMB-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=CCC[N@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001701059771 1177261406 /nfs/dbraw/zinc/26/14/06/1177261406.db2.gz IGRJXTMQKCEDMB-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)CC)CC1 ZINC001701059771 1177261410 /nfs/dbraw/zinc/26/14/10/1177261410.db2.gz IGRJXTMQKCEDMB-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001707250714 1177984404 /nfs/dbraw/zinc/98/44/04/1177984404.db2.gz WXPNVDXWXAJBSN-FPCVCCKLSA-N 2 1 293.455 1.872 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001707250714 1177984413 /nfs/dbraw/zinc/98/44/13/1177984413.db2.gz WXPNVDXWXAJBSN-FPCVCCKLSA-N 2 1 293.455 1.872 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H]1C ZINC001707250714 1177984421 /nfs/dbraw/zinc/98/44/21/1177984421.db2.gz WXPNVDXWXAJBSN-FPCVCCKLSA-N 2 1 293.455 1.872 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001707258936 1177984667 /nfs/dbraw/zinc/98/46/67/1177984667.db2.gz UANPKMNABDIUFR-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713089203 1178362848 /nfs/dbraw/zinc/36/28/48/1178362848.db2.gz KAYRCKFDFOIOBD-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001713257644 1178455006 /nfs/dbraw/zinc/45/50/06/1178455006.db2.gz HGVYRUHWDPUVIY-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713257644 1178455012 /nfs/dbraw/zinc/45/50/12/1178455012.db2.gz HGVYRUHWDPUVIY-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001713257644 1178455015 /nfs/dbraw/zinc/45/50/15/1178455015.db2.gz HGVYRUHWDPUVIY-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001713351784 1178515342 /nfs/dbraw/zinc/51/53/42/1178515342.db2.gz LYZGYCPTIDXPDF-XHSDSOJGSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001714412866 1179129151 /nfs/dbraw/zinc/12/91/51/1179129151.db2.gz SUXJGNHGONKNBC-LSDHHAIUSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001714451634 1179144563 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CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCC)CC(=C)C ZINC001714655752 1179303035 /nfs/dbraw/zinc/30/30/35/1179303035.db2.gz QXSAXWIOTPTFRB-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(=C)C ZINC001714655752 1179303037 /nfs/dbraw/zinc/30/30/37/1179303037.db2.gz QXSAXWIOTPTFRB-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC)CC(=C)C ZINC001714655752 1179303041 /nfs/dbraw/zinc/30/30/41/1179303041.db2.gz QXSAXWIOTPTFRB-INIZCTEOSA-N 2 1 291.439 1.488 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001714899278 1179443246 /nfs/dbraw/zinc/44/32/46/1179443246.db2.gz NRIORMIUNPQJRB-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001714899278 1179443248 /nfs/dbraw/zinc/44/32/48/1179443248.db2.gz NRIORMIUNPQJRB-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001714899278 1179443250 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267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001715362357 1179643249 /nfs/dbraw/zinc/64/32/49/1179643249.db2.gz LLLXGTWNNKCJCG-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001716030224 1180004659 /nfs/dbraw/zinc/00/46/59/1180004659.db2.gz NUDYMRPPEJUPGV-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716030224 1180004649 /nfs/dbraw/zinc/00/46/49/1180004649.db2.gz NUDYMRPPEJUPGV-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716030224 1180004653 /nfs/dbraw/zinc/00/46/53/1180004653.db2.gz NUDYMRPPEJUPGV-KBPBESRZSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001716498889 1180254684 /nfs/dbraw/zinc/25/46/84/1180254684.db2.gz XXSIXVKSFSVTBJ-CYBMUJFWSA-N 2 1 278.400 1.629 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001716498889 1180254688 /nfs/dbraw/zinc/25/46/88/1180254688.db2.gz XXSIXVKSFSVTBJ-CYBMUJFWSA-N 2 1 278.400 1.629 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716540517 1180276538 /nfs/dbraw/zinc/27/65/38/1180276538.db2.gz HUQSYBAUHKFXOL-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716665721 1180351913 /nfs/dbraw/zinc/35/19/13/1180351913.db2.gz RYSNLEVINFPYHP-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716665721 1180351921 /nfs/dbraw/zinc/35/19/21/1180351921.db2.gz RYSNLEVINFPYHP-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CC)C1 ZINC001716851753 1180440788 /nfs/dbraw/zinc/44/07/88/1180440788.db2.gz RLRKYPFISXENFW-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716851753 1180440791 /nfs/dbraw/zinc/44/07/91/1180440791.db2.gz RLRKYPFISXENFW-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CC)C1 ZINC001716851753 1180440793 /nfs/dbraw/zinc/44/07/93/1180440793.db2.gz RLRKYPFISXENFW-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001717477642 1180695893 /nfs/dbraw/zinc/69/58/93/1180695893.db2.gz BLVDNFBNQHQYDW-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001717477642 1180695895 /nfs/dbraw/zinc/69/58/95/1180695895.db2.gz BLVDNFBNQHQYDW-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001717477642 1180695898 /nfs/dbraw/zinc/69/58/98/1180695898.db2.gz BLVDNFBNQHQYDW-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717492643 1180706597 /nfs/dbraw/zinc/70/65/97/1180706597.db2.gz HNNIKFJFLJDJFV-AWEZNQCLSA-N 2 1 287.407 1.432 10 30 CDEEMP C#CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717624862 1180762975 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C=CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001724658360 1181716977 /nfs/dbraw/zinc/71/69/77/1181716977.db2.gz WDBYVSCTVYQLBZ-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001725499292 1182026294 /nfs/dbraw/zinc/02/62/94/1182026294.db2.gz XLTDQQHNOCIMNG-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001725829649 1182146169 /nfs/dbraw/zinc/14/61/69/1182146169.db2.gz IFRMZCPKMSPFBI-UHFFFAOYSA-N 2 1 291.439 1.797 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001731395137 1182357716 /nfs/dbraw/zinc/35/77/16/1182357716.db2.gz HXIWDDQLENUJHQ-JKSUJKDBSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731496937 1182421397 /nfs/dbraw/zinc/42/13/97/1182421397.db2.gz FQXAUJITIHBOQI-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731496937 1182421403 /nfs/dbraw/zinc/42/14/03/1182421403.db2.gz FQXAUJITIHBOQI-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001731496937 1182421421 /nfs/dbraw/zinc/42/14/21/1182421421.db2.gz FQXAUJITIHBOQI-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001731506361 1182423374 /nfs/dbraw/zinc/42/33/74/1182423374.db2.gz YUAWYIWPXSKNKQ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001731506361 1182423378 /nfs/dbraw/zinc/42/33/78/1182423378.db2.gz YUAWYIWPXSKNKQ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001731506361 1182423383 /nfs/dbraw/zinc/42/33/83/1182423383.db2.gz YUAWYIWPXSKNKQ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001731615905 1182481419 /nfs/dbraw/zinc/48/14/19/1182481419.db2.gz DDUVBRKCTYYDTK-BBRMVZONSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001731795997 1182587295 /nfs/dbraw/zinc/58/72/95/1182587295.db2.gz NFSAFSIDICTVCK-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001731795997 1182587300 /nfs/dbraw/zinc/58/73/00/1182587300.db2.gz NFSAFSIDICTVCK-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001731795997 1182587306 /nfs/dbraw/zinc/58/73/06/1182587306.db2.gz NFSAFSIDICTVCK-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001731795997 1182587312 /nfs/dbraw/zinc/58/73/12/1182587312.db2.gz NFSAFSIDICTVCK-CABCVRRESA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001731852409 1182625755 /nfs/dbraw/zinc/62/57/55/1182625755.db2.gz WPCCYSQCRLHOLA-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001731852409 1182625757 /nfs/dbraw/zinc/62/57/57/1182625757.db2.gz WPCCYSQCRLHOLA-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001732071976 1182750578 /nfs/dbraw/zinc/75/05/78/1182750578.db2.gz GOLRGBKQFSTRNP-HRCADAONSA-N 2 1 291.439 1.130 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732071976 1182750584 /nfs/dbraw/zinc/75/05/84/1182750584.db2.gz GOLRGBKQFSTRNP-HRCADAONSA-N 2 1 291.439 1.130 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732071976 1182750589 /nfs/dbraw/zinc/75/05/89/1182750589.db2.gz GOLRGBKQFSTRNP-HRCADAONSA-N 2 1 291.439 1.130 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001732428288 1182960924 /nfs/dbraw/zinc/96/09/24/1182960924.db2.gz LDEVWOSHXALHGK-AWEZNQCLSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C(C)C)C(C)C ZINC001732568401 1183014920 /nfs/dbraw/zinc/01/49/20/1183014920.db2.gz CTTKUOUSIFDBRH-CQSZACIVSA-N 2 1 292.427 1.923 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001732810409 1183133448 /nfs/dbraw/zinc/13/34/48/1183133448.db2.gz BTPHAKJATQMLED-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001733353594 1183407796 /nfs/dbraw/zinc/40/77/96/1183407796.db2.gz KGCFGNLUYAKAET-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733393285 1183416399 /nfs/dbraw/zinc/41/63/99/1183416399.db2.gz RHRXRWXDXLJNLS-QGZVFWFLSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733410788 1183423338 /nfs/dbraw/zinc/42/33/38/1183423338.db2.gz FZBUABBMKYINDD-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733410788 1183423342 /nfs/dbraw/zinc/42/33/42/1183423342.db2.gz FZBUABBMKYINDD-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001733678397 1183495458 /nfs/dbraw/zinc/49/54/58/1183495458.db2.gz XDKGHRLFXACJDA-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001733846074 1183548074 /nfs/dbraw/zinc/54/80/74/1183548074.db2.gz GUDQQCMFYMDLGE-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001733877579 1183557216 /nfs/dbraw/zinc/55/72/16/1183557216.db2.gz ZQVJAYDFBLLCTK-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001734299244 1183719629 /nfs/dbraw/zinc/71/96/29/1183719629.db2.gz BGRMEQJWDDYYGJ-XHSDSOJGSA-N 2 1 293.455 1.729 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001734317654 1183727114 /nfs/dbraw/zinc/72/71/14/1183727114.db2.gz QNRZCMIDACELFU-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)CCC)CCC[C@H]12 ZINC001734439269 1183778849 /nfs/dbraw/zinc/77/88/49/1183778849.db2.gz KCVHXOPMAXHFGT-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001734439269 1183778851 /nfs/dbraw/zinc/77/88/51/1183778851.db2.gz KCVHXOPMAXHFGT-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001734439269 1183778855 /nfs/dbraw/zinc/77/88/55/1183778855.db2.gz KCVHXOPMAXHFGT-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)CC[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001734598778 1183841092 /nfs/dbraw/zinc/84/10/92/1183841092.db2.gz OHQYBGOZNHSVBA-UHFFFAOYSA-N 2 1 290.411 1.737 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000855166575 736641826 /nfs/dbraw/zinc/64/18/26/736641826.db2.gz MAFZHZUXPICYQZ-OAHLLOKOSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000876883479 736884369 /nfs/dbraw/zinc/88/43/69/736884369.db2.gz CQYXJYYNZBDJAM-VXGBXAGGSA-N 2 1 273.808 1.255 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000876883479 736884370 /nfs/dbraw/zinc/88/43/70/736884370.db2.gz CQYXJYYNZBDJAM-VXGBXAGGSA-N 2 1 273.808 1.255 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000923550360 737131988 /nfs/dbraw/zinc/13/19/88/737131988.db2.gz CBWBIPUGXJTWSM-XHSDSOJGSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C1 ZINC000923550360 737131995 /nfs/dbraw/zinc/13/19/95/737131995.db2.gz CBWBIPUGXJTWSM-XHSDSOJGSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000923550360 737132000 /nfs/dbraw/zinc/13/20/00/737132000.db2.gz CBWBIPUGXJTWSM-XHSDSOJGSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC000923550360 737132007 /nfs/dbraw/zinc/13/20/07/737132007.db2.gz CBWBIPUGXJTWSM-XHSDSOJGSA-N 2 1 289.423 1.217 10 30 CDEEMP C[C@H](C#N)OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785007 737939809 /nfs/dbraw/zinc/93/98/09/737939809.db2.gz NURIGHBEOHKRCU-ODWCKFRGSA-N 2 1 280.372 1.286 10 30 CDEEMP C[C@H](C#N)OCCO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871785007 737939812 /nfs/dbraw/zinc/93/98/12/737939812.db2.gz NURIGHBEOHKRCU-ODWCKFRGSA-N 2 1 280.372 1.286 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000876764171 738315830 /nfs/dbraw/zinc/31/58/30/738315830.db2.gz KOPYLUSETVTCLZ-DCAQKATOSA-N 2 1 259.781 1.055 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]Cc2ccccc21 ZINC000876523835 738881286 /nfs/dbraw/zinc/88/12/86/738881286.db2.gz DXBJXJLWEVMNRL-GFCCVEGCSA-N 2 1 279.771 1.593 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000876838223 736831284 /nfs/dbraw/zinc/83/12/84/736831284.db2.gz KDDLUPJAHALWPF-CHWSQXEVSA-N 2 1 294.786 1.024 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866362891 737078930 /nfs/dbraw/zinc/07/89/30/737078930.db2.gz INNBBIVNKOLPLJ-HNNXBMFYSA-N 2 1 259.397 1.947 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCc1cccnc1 ZINC000866362891 737078932 /nfs/dbraw/zinc/07/89/32/737078932.db2.gz INNBBIVNKOLPLJ-HNNXBMFYSA-N 2 1 259.397 1.947 10 30 CDEEMP C[C@H]1C[NH+]=C(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)N1 ZINC000262681316 737495590 /nfs/dbraw/zinc/49/55/90/737495590.db2.gz WJPXFWFXZSNADA-YOEHRIQHSA-N 2 1 286.423 1.978 10 30 CDEEMP CC#CCC[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879126600 738136013 /nfs/dbraw/zinc/13/60/13/738136013.db2.gz KWVQFEKYJUHBNE-UHFFFAOYSA-N 2 1 252.402 1.690 10 30 CDEEMP C#CCCCCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000878993948 739224969 /nfs/dbraw/zinc/22/49/69/739224969.db2.gz QQMDYABDYZJBKK-MRXNPFEDSA-N 2 1 264.413 1.711 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001566682549 1168387391 /nfs/dbraw/zinc/38/73/91/1168387391.db2.gz DEJNHSDOXCIUGJ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566682549 1168387397 /nfs/dbraw/zinc/38/73/97/1168387397.db2.gz DEJNHSDOXCIUGJ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001566682549 1168387403 /nfs/dbraw/zinc/38/74/03/1168387403.db2.gz DEJNHSDOXCIUGJ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@@H+](C)C(C)C ZINC001566758549 1168409527 /nfs/dbraw/zinc/40/95/27/1168409527.db2.gz MVMSTYGWJAGXSQ-GASCZTMLSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001566758549 1168409531 /nfs/dbraw/zinc/40/95/31/1168409531.db2.gz MVMSTYGWJAGXSQ-GASCZTMLSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001566758549 1168409538 /nfs/dbraw/zinc/40/95/38/1168409538.db2.gz MVMSTYGWJAGXSQ-GASCZTMLSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001566758549 1168409541 /nfs/dbraw/zinc/40/95/41/1168409541.db2.gz MVMSTYGWJAGXSQ-GASCZTMLSA-N 2 1 277.412 1.025 10 30 CDEEMP C[C@H](C#N)OCCN1C[C@]23C[N@@H+](C)C[C@@]2(C1)CCCC3 ZINC001365349067 913086470 /nfs/dbraw/zinc/08/64/70/913086470.db2.gz YLGQVIIHNSDZCF-OAGGEKHMSA-N 2 1 277.412 1.723 10 30 CDEEMP C[C@H](C#N)OCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001365349067 913086482 /nfs/dbraw/zinc/08/64/82/913086482.db2.gz YLGQVIIHNSDZCF-OAGGEKHMSA-N 2 1 277.412 1.723 10 30 CDEEMP C[C@H](C#N)OCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001365349067 913086496 /nfs/dbraw/zinc/08/64/96/913086496.db2.gz YLGQVIIHNSDZCF-OAGGEKHMSA-N 2 1 277.412 1.723 10 30 CDEEMP C[C@H](C#N)OCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001365349067 913086510 /nfs/dbraw/zinc/08/65/10/913086510.db2.gz YLGQVIIHNSDZCF-OAGGEKHMSA-N 2 1 277.412 1.723 10 30 CDEEMP C=CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001272566618 913456598 /nfs/dbraw/zinc/45/65/98/913456598.db2.gz ZZJOICJFLXIUFS-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567404454 1168736946 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C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001267969395 900115636 /nfs/dbraw/zinc/11/56/36/900115636.db2.gz GTPRWEUZKGWOBV-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001481346815 900466573 /nfs/dbraw/zinc/46/65/73/900466573.db2.gz FAUJVCSBSVEAMY-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001481346815 900466577 /nfs/dbraw/zinc/46/65/77/900466577.db2.gz FAUJVCSBSVEAMY-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001481346815 900466579 /nfs/dbraw/zinc/46/65/79/900466579.db2.gz FAUJVCSBSVEAMY-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001481485663 900888689 /nfs/dbraw/zinc/88/86/89/900888689.db2.gz JFLJLVYZSQAUIN-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP C#CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001481485663 900888695 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CDEEMP C#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001567941719 1169080916 /nfs/dbraw/zinc/08/09/16/1169080916.db2.gz GVDDUHUGFCLEFV-MRXNPFEDSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001484401818 915727692 /nfs/dbraw/zinc/72/76/92/915727692.db2.gz SZNLCPCUVUGNHI-QGZVFWFLSA-N 2 1 299.418 1.190 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@H+]32)CCC1 ZINC001484654717 915999896 /nfs/dbraw/zinc/99/98/96/915999896.db2.gz VQNURXNKRIAXPV-LSDHHAIUSA-N 2 1 291.439 1.818 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485387104 916938256 /nfs/dbraw/zinc/93/82/56/916938256.db2.gz DAQSDWMKTALCPT-HOCLYGCPSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001485387104 916938267 /nfs/dbraw/zinc/93/82/67/916938267.db2.gz DAQSDWMKTALCPT-HOCLYGCPSA-N 2 1 289.423 1.912 10 30 CDEEMP CC#CC[NH+]1CC[C@@]2(NC(=O)CC[N@H+](C)CC)CCC[C@@H]12 ZINC001486159129 920761548 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CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001568450932 1169294062 /nfs/dbraw/zinc/29/40/62/1169294062.db2.gz FPTWPVMOWMTYNO-GJZGRUSLSA-N 2 1 279.428 1.223 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551198 927211423 /nfs/dbraw/zinc/21/14/23/927211423.db2.gz IKODTMADVZYEQY-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490551198 927211437 /nfs/dbraw/zinc/21/14/37/927211437.db2.gz IKODTMADVZYEQY-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001490777371 927342240 /nfs/dbraw/zinc/34/22/40/927342240.db2.gz PLXSZMYWOPQGCK-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001490777371 927342251 /nfs/dbraw/zinc/34/22/51/927342251.db2.gz PLXSZMYWOPQGCK-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001490777371 927342263 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10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702745 944474568 /nfs/dbraw/zinc/47/45/68/944474568.db2.gz HJIYSLFMOUJTCO-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266226248 944770259 /nfs/dbraw/zinc/77/02/59/944770259.db2.gz ZSNLPZZNJXUNCH-GJZGRUSLSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001479738672 971389718 /nfs/dbraw/zinc/38/97/18/971389718.db2.gz LNMGYLMWVMCRJZ-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479738672 971389727 /nfs/dbraw/zinc/38/97/27/971389727.db2.gz LNMGYLMWVMCRJZ-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH+](CCCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001479875528 971464832 /nfs/dbraw/zinc/46/48/32/971464832.db2.gz CJBAHOUDAMBBPO-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001479875528 971464840 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C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001480090342 971572982 /nfs/dbraw/zinc/57/29/82/971572982.db2.gz YVTJFCGOCHBLIN-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001480090342 971572987 /nfs/dbraw/zinc/57/29/87/971572987.db2.gz YVTJFCGOCHBLIN-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001480090342 971572995 /nfs/dbraw/zinc/57/29/95/971572995.db2.gz YVTJFCGOCHBLIN-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001480323314 971671209 /nfs/dbraw/zinc/67/12/09/971671209.db2.gz JQKKVTFGWMCNFY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCCC1 ZINC001480832741 971898682 /nfs/dbraw/zinc/89/86/82/971898682.db2.gz FTFUNIOEQXJJIZ-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001324614436 953473755 /nfs/dbraw/zinc/47/37/55/953473755.db2.gz HBQIWTOTFURUCF-INMHGKMJSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324614436 953473768 /nfs/dbraw/zinc/47/37/68/953473768.db2.gz HBQIWTOTFURUCF-INMHGKMJSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001324614436 953473777 /nfs/dbraw/zinc/47/37/77/953473777.db2.gz HBQIWTOTFURUCF-INMHGKMJSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001324655321 953500589 /nfs/dbraw/zinc/50/05/89/953500589.db2.gz ATYCOKNJUBTERA-ZFWWWQNUSA-N 2 1 276.384 1.601 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)C1CC1 ZINC001493430871 972050245 /nfs/dbraw/zinc/05/02/45/972050245.db2.gz VTTMOBYSAAVOMF-CYBMUJFWSA-N 2 1 290.411 1.745 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)[C@H](C)Cc1cnc[nH]1)C1CC1 ZINC001493430871 972050251 /nfs/dbraw/zinc/05/02/51/972050251.db2.gz VTTMOBYSAAVOMF-CYBMUJFWSA-N 2 1 290.411 1.745 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001329051438 955652888 /nfs/dbraw/zinc/65/28/88/955652888.db2.gz BQICRFDUYGDDRJ-NWDGAFQWSA-N 2 1 253.390 1.140 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001421947651 955668739 /nfs/dbraw/zinc/66/87/39/955668739.db2.gz VKDBCNGUGHOXCV-WCQYABFASA-N 2 1 287.835 1.517 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001493884807 972133889 /nfs/dbraw/zinc/13/38/89/972133889.db2.gz CBMLJYYKODMTIT-JKSUJKDBSA-N 2 1 287.407 1.714 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC001493902971 972135480 /nfs/dbraw/zinc/13/54/80/972135480.db2.gz GMHKBJYFGXPXRD-DLBZAZTESA-N 2 1 299.418 1.409 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001494073131 972172288 /nfs/dbraw/zinc/17/22/88/972172288.db2.gz ICIGLPOPXVQSMY-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494073131 972172290 /nfs/dbraw/zinc/17/22/90/972172290.db2.gz ICIGLPOPXVQSMY-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001494073131 972172295 /nfs/dbraw/zinc/17/22/95/972172295.db2.gz ICIGLPOPXVQSMY-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001331213902 956893466 /nfs/dbraw/zinc/89/34/66/956893466.db2.gz GYQOEJXFLASUEX-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001317017446 957204972 /nfs/dbraw/zinc/20/49/72/957204972.db2.gz DHBXJRQTQHEDQY-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC)C1CC1 ZINC001317018285 957207732 /nfs/dbraw/zinc/20/77/32/957207732.db2.gz ZBJQGQOBSQQILX-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC)C1CC1 ZINC001317018285 957207739 /nfs/dbraw/zinc/20/77/39/957207739.db2.gz ZBJQGQOBSQQILX-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001317080548 957255247 /nfs/dbraw/zinc/25/52/47/957255247.db2.gz ZZAVKVHSICTANJ-FPCVCCKLSA-N 2 1 289.423 1.263 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001317161083 957313914 /nfs/dbraw/zinc/31/39/14/957313914.db2.gz FVJDCCREIOFPQJ-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@H]12 ZINC001332121165 957440256 /nfs/dbraw/zinc/44/02/56/957440256.db2.gz XRVFORAQAGOVOG-HOCLYGCPSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001332121165 957440260 /nfs/dbraw/zinc/44/02/60/957440260.db2.gz XRVFORAQAGOVOG-HOCLYGCPSA-N 2 1 277.412 1.073 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511766 957521665 /nfs/dbraw/zinc/52/16/65/957521665.db2.gz DAWKZHMGQGNCTM-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001317598051 957590227 /nfs/dbraw/zinc/59/02/27/957590227.db2.gz FXQKJQNOXMQCCQ-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001318061601 957893083 /nfs/dbraw/zinc/89/30/83/957893083.db2.gz ZMZXSHGRWKMHRM-KGLIPLIRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001318061601 957893096 /nfs/dbraw/zinc/89/30/96/957893096.db2.gz ZMZXSHGRWKMHRM-KGLIPLIRSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH+]1CC(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001318176152 957956407 /nfs/dbraw/zinc/95/64/07/957956407.db2.gz KNQAPXJTQNVENZ-MRXNPFEDSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001318482649 958125099 /nfs/dbraw/zinc/12/50/99/958125099.db2.gz LADDPZAFGSGICF-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001318482649 958125108 /nfs/dbraw/zinc/12/51/08/958125108.db2.gz LADDPZAFGSGICF-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318482649 958125114 /nfs/dbraw/zinc/12/51/14/958125114.db2.gz LADDPZAFGSGICF-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001319251373 958457380 /nfs/dbraw/zinc/45/73/80/958457380.db2.gz RSEOXIZRKKEBPX-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001319711850 958695567 /nfs/dbraw/zinc/69/55/67/958695567.db2.gz IBHLNVMBBAKIKT-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001322262565 960156382 /nfs/dbraw/zinc/15/63/82/960156382.db2.gz QFPSRRAOZDVBJP-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCOCC1 ZINC001322262565 960156386 /nfs/dbraw/zinc/15/63/86/960156386.db2.gz QFPSRRAOZDVBJP-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001322299690 960173015 /nfs/dbraw/zinc/17/30/15/960173015.db2.gz WIOSISIPBSVTGT-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001322305598 960176689 /nfs/dbraw/zinc/17/66/89/960176689.db2.gz FPAULZLEQMLUNM-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001440864226 964216728 /nfs/dbraw/zinc/21/67/28/964216728.db2.gz YWEYRYIGDJZCMS-MNOVXSKESA-N 2 1 284.791 1.427 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382970 1169836759 /nfs/dbraw/zinc/83/67/59/1169836759.db2.gz IGACQGLLAHJMPZ-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC001540797936 967173077 /nfs/dbraw/zinc/17/30/77/967173077.db2.gz KLUYSOOZTVTAHZ-JSGCOSHPSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001496596722 972982930 /nfs/dbraw/zinc/98/29/30/972982930.db2.gz WBWRUOHKMUVQGV-KGLIPLIRSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CCC[NH2+]CCN(CC)C(=O)Cn1c[nH+]cc1C ZINC001497424561 973341966 /nfs/dbraw/zinc/34/19/66/973341966.db2.gz UIWMQERUQZLKJK-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001498053776 973652566 /nfs/dbraw/zinc/65/25/66/973652566.db2.gz SAPFMKSOPVUYQZ-ZFWWWQNUSA-N 2 1 277.412 1.121 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501647204 974615476 /nfs/dbraw/zinc/61/54/76/974615476.db2.gz DOMJDCYEYHHXTQ-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[NH2+]C1(CC)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001502501674 974744482 /nfs/dbraw/zinc/74/44/82/974744482.db2.gz IZYZEGHLVRMOAH-UHFFFAOYSA-N 2 1 290.411 1.738 10 30 CDEEMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001506659958 975199060 /nfs/dbraw/zinc/19/90/60/975199060.db2.gz MBIMGTRDDUOZPZ-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001508141143 975622397 /nfs/dbraw/zinc/62/23/97/975622397.db2.gz OMCNTRKINGYWAP-QQFBHYJXSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001674851926 1174015819 /nfs/dbraw/zinc/01/58/19/1174015819.db2.gz PSKZIUJZIJFMPD-GJZGRUSLSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001675258261 1174090933 /nfs/dbraw/zinc/09/09/33/1174090933.db2.gz RJQYMYYKDUKNKK-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001677023801 1174309726 /nfs/dbraw/zinc/30/97/26/1174309726.db2.gz PKRLXNULCUJMAL-CQSZACIVSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001570715918 1170250349 /nfs/dbraw/zinc/25/03/49/1170250349.db2.gz JVPWCWUYZNOYEB-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570715918 1170250353 /nfs/dbraw/zinc/25/03/53/1170250353.db2.gz JVPWCWUYZNOYEB-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001570715918 1170250357 /nfs/dbraw/zinc/25/03/57/1170250357.db2.gz JVPWCWUYZNOYEB-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001571617151 1170496196 /nfs/dbraw/zinc/49/61/96/1170496196.db2.gz WMZKVPXGQCZBDR-HZPDHXFCSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001571617151 1170496200 /nfs/dbraw/zinc/49/62/00/1170496200.db2.gz WMZKVPXGQCZBDR-HZPDHXFCSA-N 2 1 293.455 1.661 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C ZINC001571635268 1170502967 /nfs/dbraw/zinc/50/29/67/1170502967.db2.gz BIDIFKRHGZRJIN-CQSZACIVSA-N 2 1 281.444 1.472 10 30 CDEEMP C=C(C)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001571664635 1170514174 /nfs/dbraw/zinc/51/41/74/1170514174.db2.gz PGPUKEHGUVDCEK-UHFFFAOYSA-N 2 1 281.444 1.873 10 30 CDEEMP C[N@@H+]1C[C@]23C[NH+](CCOCCC#N)C[C@@]2(C1)CCCC3 ZINC001655922622 1171742771 /nfs/dbraw/zinc/74/27/71/1171742771.db2.gz UCMCMHDRJJNLNF-IYBDPMFKSA-N 2 1 277.412 1.724 10 30 CDEEMP C[N@H+]1C[C@]23C[NH+](CCOCCC#N)C[C@@]2(C1)CCCC3 ZINC001655922622 1171742776 /nfs/dbraw/zinc/74/27/76/1171742776.db2.gz UCMCMHDRJJNLNF-IYBDPMFKSA-N 2 1 277.412 1.724 10 30 CDEEMP C[NH+]1C[C@]23C[N@H+](CCOCCC#N)C[C@@]2(C1)CCCC3 ZINC001655922622 1171742786 /nfs/dbraw/zinc/74/27/86/1171742786.db2.gz UCMCMHDRJJNLNF-IYBDPMFKSA-N 2 1 277.412 1.724 10 30 CDEEMP C[NH+]1C[C@]23C[N@@H+](CCOCCC#N)C[C@@]2(C1)CCCC3 ZINC001655922622 1171742795 /nfs/dbraw/zinc/74/27/95/1171742795.db2.gz UCMCMHDRJJNLNF-IYBDPMFKSA-N 2 1 277.412 1.724 10 30 CDEEMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594438583 342906168 /nfs/dbraw/zinc/90/61/68/342906168.db2.gz OMXZJTOAPNOELL-KBPBESRZSA-N 2 1 280.416 1.388 10 30 CDEEMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594439786 342907189 /nfs/dbraw/zinc/90/71/89/342907189.db2.gz ZSVCYMRGBXTVOQ-LSDHHAIUSA-N 2 1 294.443 1.492 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(C#N)nc1 ZINC000596424739 343311401 /nfs/dbraw/zinc/31/14/01/343311401.db2.gz KUCZUEUYTFTDFS-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(C#N)nc1 ZINC000596424739 343311402 /nfs/dbraw/zinc/31/14/02/343311402.db2.gz KUCZUEUYTFTDFS-UHFFFAOYSA-N 2 1 261.373 1.249 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001660628625 1172245513 /nfs/dbraw/zinc/24/55/13/1172245513.db2.gz ZNCAWELCCVJBRU-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001660628625 1172245525 /nfs/dbraw/zinc/24/55/25/1172245525.db2.gz ZNCAWELCCVJBRU-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001660628625 1172245532 /nfs/dbraw/zinc/24/55/32/1172245532.db2.gz ZNCAWELCCVJBRU-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[C@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000305067435 370840644 /nfs/dbraw/zinc/84/06/44/370840644.db2.gz IFYXMUMBLUOFFI-SJORKVTESA-N 2 1 295.471 1.415 10 30 CDEEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399985 367826094 /nfs/dbraw/zinc/82/60/94/367826094.db2.gz MIKXKUZYXLFUQS-GJZGRUSLSA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399985 367826095 /nfs/dbraw/zinc/82/60/95/367826095.db2.gz MIKXKUZYXLFUQS-GJZGRUSLSA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528399985 367826096 /nfs/dbraw/zinc/82/60/96/367826096.db2.gz MIKXKUZYXLFUQS-GJZGRUSLSA-N 2 1 279.428 1.705 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001663209243 1172654907 /nfs/dbraw/zinc/65/49/07/1172654907.db2.gz GTVRISXRQGMACM-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001663209243 1172654911 /nfs/dbraw/zinc/65/49/11/1172654911.db2.gz GTVRISXRQGMACM-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001663209243 1172654913 /nfs/dbraw/zinc/65/49/13/1172654913.db2.gz GTVRISXRQGMACM-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001663209243 1172654918 /nfs/dbraw/zinc/65/49/18/1172654918.db2.gz GTVRISXRQGMACM-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)CC[NH+]1CCCCC1 ZINC001663339458 1172675494 /nfs/dbraw/zinc/67/54/94/1172675494.db2.gz KXWOSTRKZGMOEH-UHFFFAOYSA-N 2 1 267.417 1.487 10 30 CDEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338981986 391238337 /nfs/dbraw/zinc/23/83/37/391238337.db2.gz QVLKQBBRURWSPL-GVDBMIGSSA-N 2 1 290.455 1.781 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000338981986 391238343 /nfs/dbraw/zinc/23/83/43/391238343.db2.gz QVLKQBBRURWSPL-GVDBMIGSSA-N 2 1 290.455 1.781 10 30 CDEEMP C=CC[C@]1(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)CCC[NH2+]1 ZINC000662684168 413307654 /nfs/dbraw/zinc/30/76/54/413307654.db2.gz BCFXYVUTWOQGBK-GDBMZVCRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CCC[NH2+]1 ZINC000662746686 413421520 /nfs/dbraw/zinc/42/15/20/413421520.db2.gz QQWGKVWRMUWAHT-ZFWWWQNUSA-N 2 1 265.401 1.143 10 30 CDEEMP CN[C@@](C)(C#N)CCC[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000071190763 176067468 /nfs/dbraw/zinc/06/74/68/176067468.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 2 1 252.406 1.152 10 30 CDEEMP CN[C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190763 176067469 /nfs/dbraw/zinc/06/74/69/176067469.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 2 1 252.406 1.152 10 30 CDEEMP CN[C@@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190763 176067470 /nfs/dbraw/zinc/06/74/70/176067470.db2.gz KTUYBRKSZITEAM-UONOGXRCSA-N 2 1 252.406 1.152 10 30 CDEEMP C[NH+]=C(NCc1nccs1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245614579 260815377 /nfs/dbraw/zinc/81/53/77/260815377.db2.gz MESHNXSETWJCAU-VXGBXAGGSA-N 2 1 295.456 1.537 10 30 CDEEMP CC(C)[NH+](CC#CC[N@H+](C[C@H](C)O)C(C)C)C[C@H](C)O ZINC000341879200 263362455 /nfs/dbraw/zinc/36/24/55/263362455.db2.gz AYJBABXMEFLPLF-HOTGVXAUSA-N 2 1 284.444 1.172 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(C)C ZINC001668091895 1173367384 /nfs/dbraw/zinc/36/73/84/1173367384.db2.gz DZFUHLPUMVHZAD-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(C)C ZINC001668091895 1173367390 /nfs/dbraw/zinc/36/73/90/1173367390.db2.gz DZFUHLPUMVHZAD-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001670051637 1173649504 /nfs/dbraw/zinc/64/95/04/1173649504.db2.gz XSIVSWQOMXOVEZ-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001670051637 1173649509 /nfs/dbraw/zinc/64/95/09/1173649509.db2.gz XSIVSWQOMXOVEZ-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001671867588 1173716221 /nfs/dbraw/zinc/71/62/21/1173716221.db2.gz FJUXCMXLNOIOSW-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C(C)C ZINC001698862159 1159133870 /nfs/dbraw/zinc/13/38/70/1159133870.db2.gz VIJLYRMZYRZAAN-CQSZACIVSA-N 2 1 269.433 1.729 10 30 CDEEMP C[C@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC000262457768 330014350 /nfs/dbraw/zinc/01/43/50/330014350.db2.gz LOQKCSNLMSRMMK-ZDUSSCGKSA-N 2 1 282.432 1.144 10 30 CDEEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262496801 330017856 /nfs/dbraw/zinc/01/78/56/330017856.db2.gz WUVVWQUHHFLSHN-ZIAGYGMSSA-N 2 1 296.459 1.532 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1C[C@@H]1C(F)F ZINC000263191343 330048310 /nfs/dbraw/zinc/04/83/10/330048310.db2.gz YNVPDTFKFXWJIQ-UTLUCORTSA-N 2 1 260.332 1.029 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263270289 330051376 /nfs/dbraw/zinc/05/13/76/330051376.db2.gz OYZOCQAENICIFY-STQMWFEESA-N 2 1 264.417 1.708 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001267313287 1159257410 /nfs/dbraw/zinc/25/74/10/1159257410.db2.gz FUFABPUZJQHBDA-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC001267313287 1159257418 /nfs/dbraw/zinc/25/74/18/1159257418.db2.gz FUFABPUZJQHBDA-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001267313287 1159257422 /nfs/dbraw/zinc/25/74/22/1159257422.db2.gz FUFABPUZJQHBDA-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001699185227 1159325249 /nfs/dbraw/zinc/32/52/49/1159325249.db2.gz XLLPNEAYVJSLHN-CQSZACIVSA-N 2 1 290.411 1.468 10 30 CDEEMP C=CC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001481059937 1159507380 /nfs/dbraw/zinc/50/73/80/1159507380.db2.gz WLPPZRUJDKJYTA-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481059937 1159507383 /nfs/dbraw/zinc/50/73/83/1159507383.db2.gz WLPPZRUJDKJYTA-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001481059937 1159507388 /nfs/dbraw/zinc/50/73/88/1159507388.db2.gz WLPPZRUJDKJYTA-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001670808084 1160170908 /nfs/dbraw/zinc/17/09/08/1160170908.db2.gz VDLLKRHRYZCHOS-GJZGRUSLSA-N 2 1 291.439 1.818 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000677480878 482684267 /nfs/dbraw/zinc/68/42/67/482684267.db2.gz WRTXBWDPFZLINP-CABCVRRESA-N 2 1 252.402 1.731 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000677480878 482684268 /nfs/dbraw/zinc/68/42/68/482684268.db2.gz WRTXBWDPFZLINP-CABCVRRESA-N 2 1 252.402 1.731 10 30 CDEEMP CCC[N@@H+](CCO)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609659 521667193 /nfs/dbraw/zinc/66/71/93/521667193.db2.gz BYXGXCSCOJFYJN-UHFFFAOYSA-N 2 1 276.380 1.210 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001714723814 1179359334 /nfs/dbraw/zinc/35/93/34/1179359334.db2.gz KMPKFQUENXIZLD-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC[N@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609714 520301148 /nfs/dbraw/zinc/30/11/48/520301148.db2.gz WPHYDYRUQPRAMZ-UHFFFAOYSA-N 2 1 291.370 1.046 10 30 CDEEMP CC[N@@H+](CC(=O)N(C)C)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609714 520301155 /nfs/dbraw/zinc/30/11/55/520301155.db2.gz WPHYDYRUQPRAMZ-UHFFFAOYSA-N 2 1 291.370 1.046 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)C[C@@H]1CCCO1 ZINC000049609671 522906036 /nfs/dbraw/zinc/90/60/36/522906036.db2.gz JSOFONWZKRLFBO-KRWDZBQOSA-N 2 1 288.391 1.486 10 30 CDEEMP [NH3+]CC#Cc1ccsc1C[N@H+]1CCC[C@@H]1CCCO ZINC000052763107 527154789 /nfs/dbraw/zinc/15/47/89/527154789.db2.gz KVRGZESKTNXGFE-CQSZACIVSA-N 2 1 278.421 1.795 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000900802560 623553758 /nfs/dbraw/zinc/55/37/58/623553758.db2.gz WFHPRZNXXCREQY-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCn1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)nn1 ZINC000903498260 626008820 /nfs/dbraw/zinc/00/88/20/626008820.db2.gz ARYWFMCDCJFMBD-CHWSQXEVSA-N 2 1 263.389 1.271 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691159435 1158939600 /nfs/dbraw/zinc/93/96/00/1158939600.db2.gz DSDKEPVKOCHKLW-CQSZACIVSA-N 2 1 290.411 1.631 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001691159435 1158939605 /nfs/dbraw/zinc/93/96/05/1158939605.db2.gz DSDKEPVKOCHKLW-CQSZACIVSA-N 2 1 290.411 1.631 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001691352436 1159032950 /nfs/dbraw/zinc/03/29/50/1159032950.db2.gz WKHJRPQHAXAXDW-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001481682827 1159874652 /nfs/dbraw/zinc/87/46/52/1159874652.db2.gz LKHWGLVWYMRDCM-PMPSAXMXSA-N 2 1 291.439 1.722 10 30 CDEEMP 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/nfs/dbraw/zinc/67/31/98/1169673198.db2.gz UYTDVEVOWOYZTF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001569125420 1169673205 /nfs/dbraw/zinc/67/32/05/1169673205.db2.gz UYTDVEVOWOYZTF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001571125819 1170338678 /nfs/dbraw/zinc/33/86/78/1170338678.db2.gz OGUGXVMZZQOSKM-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@H]12 ZINC001571501180 1170456396 /nfs/dbraw/zinc/45/63/96/1170456396.db2.gz NOZZXBBZSVCVHV-RDJZCZTQSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001571501180 1170456399 /nfs/dbraw/zinc/45/63/99/1170456399.db2.gz NOZZXBBZSVCVHV-RDJZCZTQSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001571501180 1170456403 /nfs/dbraw/zinc/45/64/03/1170456403.db2.gz NOZZXBBZSVCVHV-RDJZCZTQSA-N 2 1 289.423 1.217 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001664849629 1172920992 /nfs/dbraw/zinc/92/09/92/1172920992.db2.gz SRXAGPLVLRYCRO-GJZGRUSLSA-N 2 1 281.444 1.683 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001690616107 1175524110 /nfs/dbraw/zinc/52/41/10/1175524110.db2.gz BVVZPOTVOFFRCY-GXTWGEPZSA-N 2 1 290.411 1.424 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691876060 1175643740 /nfs/dbraw/zinc/64/37/40/1175643740.db2.gz RSHNSQNRAISWRK-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691876060 1175643744 /nfs/dbraw/zinc/64/37/44/1175643744.db2.gz RSHNSQNRAISWRK-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691876060 1175643747 /nfs/dbraw/zinc/64/37/47/1175643747.db2.gz RSHNSQNRAISWRK-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1C ZINC001692166381 1175688024 /nfs/dbraw/zinc/68/80/24/1175688024.db2.gz BNDBNFDUXFQSNX-ILXRZTDVSA-N 2 1 299.434 1.821 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)CC(C)(C)C1 ZINC001692280139 1175723186 /nfs/dbraw/zinc/72/31/86/1175723186.db2.gz PQNACEMVAHEURQ-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001692280139 1175723194 /nfs/dbraw/zinc/72/31/94/1175723194.db2.gz PQNACEMVAHEURQ-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)CC(C)(C)C1 ZINC001692280139 1175723196 /nfs/dbraw/zinc/72/31/96/1175723196.db2.gz PQNACEMVAHEURQ-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001692370357 1175753628 /nfs/dbraw/zinc/75/36/28/1175753628.db2.gz LISXMVXDLHAUHZ-ILXRZTDVSA-N 2 1 281.444 1.728 10 30 CDEEMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001698605208 1175869242 /nfs/dbraw/zinc/86/92/42/1175869242.db2.gz UKEBBGGDKOKMJJ-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001698899114 1175980491 /nfs/dbraw/zinc/98/04/91/1175980491.db2.gz OZUSBXGCIFHMKW-GDBMZVCRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001699186471 1176132231 /nfs/dbraw/zinc/13/22/31/1176132231.db2.gz KBLLFNNSJLLXPW-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001699188843 1176133110 /nfs/dbraw/zinc/13/31/10/1176133110.db2.gz RGKMLNUTBGLISK-GJZGRUSLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001699302995 1176209856 /nfs/dbraw/zinc/20/98/56/1176209856.db2.gz ROPPLKIZJUUMII-MRYXHSKJSA-N 2 1 299.846 1.731 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001699313262 1176213823 /nfs/dbraw/zinc/21/38/23/1176213823.db2.gz BACDJMRLTZLKRG-JNXQLMTMSA-N 2 1 291.439 1.841 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)Cc1cn2c(n1)CCCC2 ZINC001699440874 1176404976 /nfs/dbraw/zinc/40/49/76/1176404976.db2.gz HPZAJQRKJKFRQO-CYBMUJFWSA-N 2 1 290.411 1.384 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001699595373 1176492048 /nfs/dbraw/zinc/49/20/48/1176492048.db2.gz YPBRCVIPNLAQCF-CWRNSKLLSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001699794282 1176624232 /nfs/dbraw/zinc/62/42/32/1176624232.db2.gz ZSLRZHKAPDHNEM-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH+]1CCC[C@](C)(CNC(=O)C[N@H+](C)CCC)C1 ZINC001699877407 1176665255 /nfs/dbraw/zinc/66/52/55/1176665255.db2.gz XGBDEUXAFQQXHS-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001699877407 1176665258 /nfs/dbraw/zinc/66/52/58/1176665258.db2.gz XGBDEUXAFQQXHS-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)CCC)C1 ZINC001699877407 1176665262 /nfs/dbraw/zinc/66/52/62/1176665262.db2.gz XGBDEUXAFQQXHS-QGZVFWFLSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001700203136 1176797996 /nfs/dbraw/zinc/79/79/96/1176797996.db2.gz HSYUGPJCUAHXJK-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001700203136 1176798000 /nfs/dbraw/zinc/79/80/00/1176798000.db2.gz HSYUGPJCUAHXJK-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700290788 1176834086 /nfs/dbraw/zinc/83/40/86/1176834086.db2.gz DJQIEDJAAMXSJK-CQSZACIVSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700530407 1176998120 /nfs/dbraw/zinc/99/81/20/1176998120.db2.gz CWXHIBFQUGOVEP-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713137107 1178390061 /nfs/dbraw/zinc/39/00/61/1178390061.db2.gz UQEBQVQPTRBZJX-MRXNPFEDSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713172785 1178412041 /nfs/dbraw/zinc/41/20/41/1178412041.db2.gz GGGLWUMRZZNXDO-KLHDSHLOSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001713172805 1178412562 /nfs/dbraw/zinc/41/25/62/1178412562.db2.gz HDGVQJQLLMFJQT-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001713739565 1178731117 /nfs/dbraw/zinc/73/11/17/1178731117.db2.gz FSNOMRMXCUBVPR-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713739565 1178731121 /nfs/dbraw/zinc/73/11/21/1178731121.db2.gz FSNOMRMXCUBVPR-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001713739565 1178731125 /nfs/dbraw/zinc/73/11/25/1178731125.db2.gz FSNOMRMXCUBVPR-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001713979978 1178903159 /nfs/dbraw/zinc/90/31/59/1178903159.db2.gz TUJYZDYENVQLRX-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001714078325 1178963875 /nfs/dbraw/zinc/96/38/75/1178963875.db2.gz HBTUVVJIPXOXPL-OAHLLOKOSA-N 2 1 295.471 1.979 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001714309813 1179079036 /nfs/dbraw/zinc/07/90/36/1179079036.db2.gz RTBJWVQXSXJWFV-LLVKDONJSA-N 2 1 261.797 1.173 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714338717 1179093138 /nfs/dbraw/zinc/09/31/38/1179093138.db2.gz OLHSJTNCXRXTMS-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001714817409 1179409120 /nfs/dbraw/zinc/40/91/20/1179409120.db2.gz VJWOBUDYCGUZBK-HOCLYGCPSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CCC ZINC001714995318 1179497603 /nfs/dbraw/zinc/49/76/03/1179497603.db2.gz PSOIAOIDNCBXCI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001714995318 1179497607 /nfs/dbraw/zinc/49/76/07/1179497607.db2.gz PSOIAOIDNCBXCI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)CCC ZINC001714995318 1179497614 /nfs/dbraw/zinc/49/76/14/1179497614.db2.gz PSOIAOIDNCBXCI-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001715238815 1179591872 /nfs/dbraw/zinc/59/18/72/1179591872.db2.gz IUXMOUSQPWDANC-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001715308705 1179618579 /nfs/dbraw/zinc/61/85/79/1179618579.db2.gz CZIIMMCCGFUYOZ-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)C ZINC001715492579 1179681672 /nfs/dbraw/zinc/68/16/72/1179681672.db2.gz QQPLEXUIGPKUSD-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001715532629 1179702585 /nfs/dbraw/zinc/70/25/85/1179702585.db2.gz IKOCTDJJDCADOZ-UHFFFAOYSA-N 2 1 292.427 1.973 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001715532629 1179702590 /nfs/dbraw/zinc/70/25/90/1179702590.db2.gz IKOCTDJJDCADOZ-UHFFFAOYSA-N 2 1 292.427 1.973 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715825991 1179851563 /nfs/dbraw/zinc/85/15/63/1179851563.db2.gz IBIBWDPZYUXIRF-WSNITJDQSA-N 2 1 265.401 1.309 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001716334460 1180159309 /nfs/dbraw/zinc/15/93/09/1180159309.db2.gz RWVHFKUSHBIMPI-FYCOFBDGSA-N 2 1 291.439 1.394 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001716769666 1180407286 /nfs/dbraw/zinc/40/72/86/1180407286.db2.gz DNORSLSSEOEJKG-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001716886701 1180453086 /nfs/dbraw/zinc/45/30/86/1180453086.db2.gz ZEWBKQSETCSNAL-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP 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293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001717588069 1180750668 /nfs/dbraw/zinc/75/06/68/1180750668.db2.gz SBRXSNCMNKPRPE-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001717948480 1180941560 /nfs/dbraw/zinc/94/15/60/1180941560.db2.gz NRRMMKJTVSDKEU-MRXNPFEDSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001717948480 1180941564 /nfs/dbraw/zinc/94/15/64/1180941564.db2.gz NRRMMKJTVSDKEU-MRXNPFEDSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001717948480 1180941568 /nfs/dbraw/zinc/94/15/68/1180941568.db2.gz NRRMMKJTVSDKEU-MRXNPFEDSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001717948480 1180941574 /nfs/dbraw/zinc/94/15/74/1180941574.db2.gz NRRMMKJTVSDKEU-MRXNPFEDSA-N 2 1 293.455 1.661 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001723963818 1181625956 /nfs/dbraw/zinc/62/59/56/1181625956.db2.gz NCZREGDCYHLVPX-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001724601843 1181701843 /nfs/dbraw/zinc/70/18/43/1181701843.db2.gz BUFAPZZMXGHHSI-KGLIPLIRSA-N 2 1 267.417 1.197 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001724861330 1181780518 /nfs/dbraw/zinc/78/05/18/1181780518.db2.gz SPPCIWHYSGEMAP-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001725002902 1181819857 /nfs/dbraw/zinc/81/98/57/1181819857.db2.gz MQVMWRFHWKLDIW-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001725002902 1181819866 /nfs/dbraw/zinc/81/98/66/1181819866.db2.gz MQVMWRFHWKLDIW-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001725002902 1181819876 /nfs/dbraw/zinc/81/98/76/1181819876.db2.gz MQVMWRFHWKLDIW-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001725284274 1181951831 /nfs/dbraw/zinc/95/18/31/1181951831.db2.gz BMTGUKMXXFEMGH-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001725284274 1181951836 /nfs/dbraw/zinc/95/18/36/1181951836.db2.gz BMTGUKMXXFEMGH-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001725284274 1181951841 /nfs/dbraw/zinc/95/18/41/1181951841.db2.gz BMTGUKMXXFEMGH-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)[C@@H]1C ZINC001725636365 1182079782 /nfs/dbraw/zinc/07/97/82/1182079782.db2.gz QWQBQAFNOKFEMX-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001731479165 1182410438 /nfs/dbraw/zinc/41/04/38/1182410438.db2.gz NKWBPJNAQAAHEM-QKPAOTATSA-N 2 1 289.423 1.263 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001731479163 1182410604 /nfs/dbraw/zinc/41/06/04/1182410604.db2.gz NKWBPJNAQAAHEM-FZKCQIBNSA-N 2 1 289.423 1.263 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561098 1182448413 /nfs/dbraw/zinc/44/84/13/1182448413.db2.gz YRXWGYLYKBKHHU-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)Cn1ccnc1C(C)C ZINC001731813163 1182601496 /nfs/dbraw/zinc/60/14/96/1182601496.db2.gz LTEWACXUBLMDDY-UHFFFAOYSA-N 2 1 276.384 1.078 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731813163 1182601504 /nfs/dbraw/zinc/60/15/04/1182601504.db2.gz LTEWACXUBLMDDY-UHFFFAOYSA-N 2 1 276.384 1.078 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001732055517 1182743453 /nfs/dbraw/zinc/74/34/53/1182743453.db2.gz YJLXUSXYTCRJTC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+](C)C ZINC001732147839 1182804821 /nfs/dbraw/zinc/80/48/21/1182804821.db2.gz XZXSKCPVLLIIMJ-KBPBESRZSA-N 2 1 265.401 1.189 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001733049779 1183264002 /nfs/dbraw/zinc/26/40/02/1183264002.db2.gz MXVBWNATJUYSAN-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C ZINC001733606983 1183478411 /nfs/dbraw/zinc/47/84/11/1183478411.db2.gz MPJBPRJLBOXGMP-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001733762173 1183524018 /nfs/dbraw/zinc/52/40/18/1183524018.db2.gz HSHPZSBYKBIRPB-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001733804763 1183536444 /nfs/dbraw/zinc/53/64/44/1183536444.db2.gz HKDGOPBQJFGGIC-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001733852831 1183549991 /nfs/dbraw/zinc/54/99/91/1183549991.db2.gz WGCLUDCJDAFUOV-GJZGRUSLSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001733930936 1183572229 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CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733939175 1183577321 /nfs/dbraw/zinc/57/73/21/1183577321.db2.gz WCNLGYORPBNVJP-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001733939175 1183577323 /nfs/dbraw/zinc/57/73/23/1183577323.db2.gz WCNLGYORPBNVJP-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CCC)[C@@H]2C1 ZINC001734174770 1183682920 /nfs/dbraw/zinc/68/29/20/1183682920.db2.gz YCYLWVWVYIUGEI-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001734174770 1183682921 /nfs/dbraw/zinc/68/29/21/1183682921.db2.gz YCYLWVWVYIUGEI-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CCC)[C@@H]2C1 ZINC001734174770 1183682922 /nfs/dbraw/zinc/68/29/22/1183682922.db2.gz YCYLWVWVYIUGEI-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001734290939 1183714364 /nfs/dbraw/zinc/71/43/64/1183714364.db2.gz UFRFCIVVTMAINS-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001691708817 1164428481 /nfs/dbraw/zinc/42/84/81/1164428481.db2.gz IELYVBHDMZRLQA-XHSDSOJGSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(Cl)CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000853685231 739886319 /nfs/dbraw/zinc/88/63/19/739886319.db2.gz DFLABRLTCMVESU-JTQLQIEISA-N 2 1 261.753 1.347 10 30 CDEEMP C=C(Cl)CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000853685231 739886320 /nfs/dbraw/zinc/88/63/20/739886320.db2.gz DFLABRLTCMVESU-JTQLQIEISA-N 2 1 261.753 1.347 10 30 CDEEMP C[NH+]=C(NC1CCC1)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261970922 741835129 /nfs/dbraw/zinc/83/51/29/741835129.db2.gz MTMKFGOSVDRJTL-GXFFZTMASA-N 2 1 250.390 1.187 10 30 CDEEMP C=CC[C@H](C(=O)OC)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746991 742049548 /nfs/dbraw/zinc/04/95/48/742049548.db2.gz GGLJKPCDALNKKX-OAHLLOKOSA-N 2 1 289.379 1.711 10 30 CDEEMP C=CC[C@H](C(=O)OC)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000878746991 742049555 /nfs/dbraw/zinc/04/95/55/742049555.db2.gz GGLJKPCDALNKKX-OAHLLOKOSA-N 2 1 289.379 1.711 10 30 CDEEMP C[NH+]1C[C@]2(C)C[NH+](C[C@@H](O)CC3(C#N)CC3)C[C@@]2(C)C1 ZINC000931315989 742072292 /nfs/dbraw/zinc/07/22/92/742072292.db2.gz FIQVZABXCQOTAJ-RRFJBIMHSA-N 2 1 277.412 1.315 10 30 CDEEMP C#CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1 ZINC000829775233 742072998 /nfs/dbraw/zinc/07/29/98/742072998.db2.gz ZQBAOSFMBROWCY-HUUCEWRRSA-N 2 1 250.386 1.178 10 30 CDEEMP CNC(NC[C@H]1CC[N@H+]1C1CCCCCC1)=[NH+]C ZINC000864358007 739836957 /nfs/dbraw/zinc/83/69/57/739836957.db2.gz DEBFZKXFZQWEKM-CYBMUJFWSA-N 2 1 252.406 1.578 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000836215696 741079082 /nfs/dbraw/zinc/07/90/82/741079082.db2.gz DOYGHXRACMMQAD-HNNXBMFYSA-N 2 1 294.443 1.115 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000836215696 741079087 /nfs/dbraw/zinc/07/90/87/741079087.db2.gz DOYGHXRACMMQAD-HNNXBMFYSA-N 2 1 294.443 1.115 10 30 CDEEMP C#CC[N@H+](C)CCCNC(=O)NCC[NH+]1CCCC[C@@H]1C ZINC000836215696 741079093 /nfs/dbraw/zinc/07/90/93/741079093.db2.gz DOYGHXRACMMQAD-HNNXBMFYSA-N 2 1 294.443 1.115 10 30 CDEEMP CCC[N@H+]1CC[C@@H](CNC(=[NH2+])NC2CCCCC2)C1 ZINC000303864746 741769059 /nfs/dbraw/zinc/76/90/59/741769059.db2.gz BEFQVWVSHFAMIR-ZDUSSCGKSA-N 2 1 266.433 1.955 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1CC ZINC001569342117 1167558559 /nfs/dbraw/zinc/55/85/59/1167558559.db2.gz FRFXKKDQPRRCFG-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001566827378 1168434873 /nfs/dbraw/zinc/43/48/73/1168434873.db2.gz QRCMSZZLTMMLFG-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001566827378 1168434878 /nfs/dbraw/zinc/43/48/78/1168434878.db2.gz QRCMSZZLTMMLFG-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001566827378 1168434881 /nfs/dbraw/zinc/43/48/81/1168434881.db2.gz QRCMSZZLTMMLFG-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001483656424 912339785 /nfs/dbraw/zinc/33/97/85/912339785.db2.gz YKMKICAPNOKQGR-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001483656424 912339796 /nfs/dbraw/zinc/33/97/96/912339796.db2.gz YKMKICAPNOKQGR-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001483656424 912339811 /nfs/dbraw/zinc/33/98/11/912339811.db2.gz YKMKICAPNOKQGR-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483680879 912660745 /nfs/dbraw/zinc/66/07/45/912660745.db2.gz IVVQYZWVVUPFCX-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001483680879 912660755 /nfs/dbraw/zinc/66/07/55/912660755.db2.gz IVVQYZWVVUPFCX-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001483680879 912660765 /nfs/dbraw/zinc/66/07/65/912660765.db2.gz IVVQYZWVVUPFCX-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001483680879 912660772 /nfs/dbraw/zinc/66/07/72/912660772.db2.gz IVVQYZWVVUPFCX-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001266948474 896412398 /nfs/dbraw/zinc/41/23/98/896412398.db2.gz JBEOVKXQUHMTEU-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC=C(C)C ZINC001266947824 896412843 /nfs/dbraw/zinc/41/28/43/896412843.db2.gz BOVABXYDQMNEPP-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC=C(C)C ZINC001266947824 896412845 /nfs/dbraw/zinc/41/28/45/896412845.db2.gz BOVABXYDQMNEPP-CABCVRRESA-N 2 1 277.412 1.145 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001266970364 896470176 /nfs/dbraw/zinc/47/01/76/896470176.db2.gz CPIHZCBAEUGNLN-CJNGLKHVSA-N 2 1 299.434 1.869 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001267201066 897131041 /nfs/dbraw/zinc/13/10/41/897131041.db2.gz JSEMTMHFJTZUMB-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)CCCn1ccnc1 ZINC001267257290 897361950 /nfs/dbraw/zinc/36/19/50/897361950.db2.gz USBLPGGRDNWXLC-UHFFFAOYSA-N 2 1 276.384 1.125 10 30 CDEEMP CC#CCN(CC)CCNC(=O)CCCn1ccnc1 ZINC001267257290 897361964 /nfs/dbraw/zinc/36/19/64/897361964.db2.gz USBLPGGRDNWXLC-UHFFFAOYSA-N 2 1 276.384 1.125 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001267273196 897433929 /nfs/dbraw/zinc/43/39/29/897433929.db2.gz CEFPHSNKFQTOMC-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001567588715 1168876778 /nfs/dbraw/zinc/87/67/78/1168876778.db2.gz SHOTUZLCQOYYGR-INIZCTEOSA-N 2 1 287.407 1.361 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267495379 898155492 /nfs/dbraw/zinc/15/54/92/898155492.db2.gz CBWPEZPUWBUGQA-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267495379 898155499 /nfs/dbraw/zinc/15/54/99/898155499.db2.gz CBWPEZPUWBUGQA-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001481333794 900437043 /nfs/dbraw/zinc/43/70/43/900437043.db2.gz GKIRHRYODHLEEB-HOCLYGCPSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001481696687 901824832 /nfs/dbraw/zinc/82/48/32/901824832.db2.gz JAGIUIVXFRLCPU-HNNXBMFYSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001268484963 902333324 /nfs/dbraw/zinc/33/33/24/902333324.db2.gz NWVXQHGPBMNBFP-UHFFFAOYSA-N 2 1 279.428 1.629 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269293706 903668374 /nfs/dbraw/zinc/66/83/74/903668374.db2.gz ZVBLZKMCCAQDKA-HUUCEWRRSA-N 2 1 279.428 1.129 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001269567037 903936275 /nfs/dbraw/zinc/93/62/75/903936275.db2.gz KUZRXKDSDMWFSN-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001482339784 905108180 /nfs/dbraw/zinc/10/81/80/905108180.db2.gz VIVCIOPCKRGTGN-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001482369515 905219073 /nfs/dbraw/zinc/21/90/73/905219073.db2.gz MZIQWIUAHHZCCQ-HOCLYGCPSA-N 2 1 289.423 1.912 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001271645155 906566421 /nfs/dbraw/zinc/56/64/21/906566421.db2.gz MGDDKBAWONCGNY-HUUCEWRRSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001482666529 908161704 /nfs/dbraw/zinc/16/17/04/908161704.db2.gz PRZHZUWBZIANGT-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482928295 908498427 /nfs/dbraw/zinc/49/84/27/908498427.db2.gz QVTIQBVZHOBIHZ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567977499 1169104905 /nfs/dbraw/zinc/10/49/05/1169104905.db2.gz YIXYNAAPXSDGOE-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001483408206 911076393 /nfs/dbraw/zinc/07/63/93/911076393.db2.gz FLGBUOJBGZLGLK-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001493544221 911221300 /nfs/dbraw/zinc/22/13/00/911221300.db2.gz FYQZUYINMWSVLJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484549587 915876798 /nfs/dbraw/zinc/87/67/98/915876798.db2.gz KWMGFBKYIDJKKV-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001568191897 1169170728 /nfs/dbraw/zinc/17/07/28/1169170728.db2.gz NIDCQGYDOZFIGF-CVEARBPZSA-N 2 1 293.455 1.474 10 30 CDEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001485092976 916504726 /nfs/dbraw/zinc/50/47/26/916504726.db2.gz ZQJDMTJKGQCZJT-PRLABOORSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)COC1CC[NH+](C)CC1 ZINC001485370427 916901027 /nfs/dbraw/zinc/90/10/27/916901027.db2.gz HHUQPCUUGICKSK-AWEZNQCLSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001486184105 920790394 /nfs/dbraw/zinc/79/03/94/920790394.db2.gz QGSVEOYHVIQWRJ-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001486184105 920790405 /nfs/dbraw/zinc/79/04/05/920790405.db2.gz QGSVEOYHVIQWRJ-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001486516078 921090904 /nfs/dbraw/zinc/09/09/04/921090904.db2.gz YOYDNXWSMHFQES-OAHLLOKOSA-N 2 1 291.439 1.653 10 30 CDEEMP C=CCC[N@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001486516078 921090914 /nfs/dbraw/zinc/09/09/14/921090914.db2.gz YOYDNXWSMHFQES-OAHLLOKOSA-N 2 1 291.439 1.653 10 30 CDEEMP C=CCC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001486516078 921090925 /nfs/dbraw/zinc/09/09/25/921090925.db2.gz YOYDNXWSMHFQES-OAHLLOKOSA-N 2 1 291.439 1.653 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001491224379 936879694 /nfs/dbraw/zinc/87/96/94/936879694.db2.gz HXJQKHZIUQCXDY-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568505988 1169340290 /nfs/dbraw/zinc/34/02/90/1169340290.db2.gz HSKBXRAGXVLTII-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](F)C[NH+](CC)CC ZINC001493108350 930434992 /nfs/dbraw/zinc/43/49/92/930434992.db2.gz PZQRQZDPCIUDGW-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001275681422 931955539 /nfs/dbraw/zinc/95/55/39/931955539.db2.gz 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C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCCC ZINC001713316819 1178493044 /nfs/dbraw/zinc/49/30/44/1178493044.db2.gz ZXVNGKAIFZSEGZ-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCCC ZINC001713316819 1178493048 /nfs/dbraw/zinc/49/30/48/1178493048.db2.gz ZXVNGKAIFZSEGZ-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001713411632 1178545941 /nfs/dbraw/zinc/54/59/41/1178545941.db2.gz MHFLLPCFHHBMIW-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001713529522 1178629736 /nfs/dbraw/zinc/62/97/36/1178629736.db2.gz MGOMJXZYFKGUFI-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713529522 1178629738 /nfs/dbraw/zinc/62/97/38/1178629738.db2.gz MGOMJXZYFKGUFI-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713529522 1178629743 /nfs/dbraw/zinc/62/97/43/1178629743.db2.gz MGOMJXZYFKGUFI-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713730181 1178728112 /nfs/dbraw/zinc/72/81/12/1178728112.db2.gz KTIBETGVVCBCEG-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001713730181 1178728116 /nfs/dbraw/zinc/72/81/16/1178728116.db2.gz KTIBETGVVCBCEG-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001713730181 1178728122 /nfs/dbraw/zinc/72/81/22/1178728122.db2.gz KTIBETGVVCBCEG-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001713771269 1178746149 /nfs/dbraw/zinc/74/61/49/1178746149.db2.gz GWEQDQCJWCRGIU-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001713771269 1178746154 /nfs/dbraw/zinc/74/61/54/1178746154.db2.gz GWEQDQCJWCRGIU-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[N@H+]1CC[C@H](C)C1)C1CC1 ZINC001713771269 1178746158 /nfs/dbraw/zinc/74/61/58/1178746158.db2.gz GWEQDQCJWCRGIU-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001714013570 1178927272 /nfs/dbraw/zinc/92/72/72/1178927272.db2.gz NRNRHCJVJMRLSN-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714022477 1178931990 /nfs/dbraw/zinc/93/19/90/1178931990.db2.gz TVAQTOLDYSBIIQ-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001714163794 1178998749 /nfs/dbraw/zinc/99/87/49/1178998749.db2.gz WNWSXOCHLSBEPJ-UXLLHSPISA-N 2 1 293.455 1.777 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001714277579 1179061259 /nfs/dbraw/zinc/06/12/59/1179061259.db2.gz BZVGAHFRCXIPRA-HUUCEWRRSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001714455730 1179146443 /nfs/dbraw/zinc/14/64/43/1179146443.db2.gz ZIAGGBPTRIMARG-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001714583493 1179241289 /nfs/dbraw/zinc/24/12/89/1179241289.db2.gz ALIXJVXBFROJMS-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001714583493 1179241297 /nfs/dbraw/zinc/24/12/97/1179241297.db2.gz ALIXJVXBFROJMS-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001714583493 1179241304 /nfs/dbraw/zinc/24/13/04/1179241304.db2.gz ALIXJVXBFROJMS-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714652815 1179298411 /nfs/dbraw/zinc/29/84/11/1179298411.db2.gz CUKUPEVTNHJOPV-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714652815 1179298419 /nfs/dbraw/zinc/29/84/19/1179298419.db2.gz CUKUPEVTNHJOPV-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714652815 1179298426 /nfs/dbraw/zinc/29/84/26/1179298426.db2.gz CUKUPEVTNHJOPV-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)C ZINC001714822554 1179411302 /nfs/dbraw/zinc/41/13/02/1179411302.db2.gz RAMAXWYHDVSVBQ-MRXNPFEDSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001714918478 1179451455 /nfs/dbraw/zinc/45/14/55/1179451455.db2.gz PTSRKYRKHJFRNC-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CC1 ZINC001714989867 1179494040 /nfs/dbraw/zinc/49/40/40/1179494040.db2.gz KOAKTMFUPUBBKV-KBPBESRZSA-N 2 1 277.412 1.189 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001715362262 1179643119 /nfs/dbraw/zinc/64/31/19/1179643119.db2.gz VCUZNBAXFWIKSB-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001715916325 1179911852 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30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716784048 1180413972 /nfs/dbraw/zinc/41/39/72/1180413972.db2.gz HIFJDFCTHVDHDX-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001716879913 1180451905 /nfs/dbraw/zinc/45/19/05/1180451905.db2.gz BBOGYQJVDCOPGZ-RDJZCZTQSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001716965218 1180484265 /nfs/dbraw/zinc/48/42/65/1180484265.db2.gz CXVQPARYHHGWOP-GJZGRUSLSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001717803493 1180862939 /nfs/dbraw/zinc/86/29/39/1180862939.db2.gz YPTYTMYOJKFIDS-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CC=C(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001718028202 1180975038 /nfs/dbraw/zinc/97/50/38/1180975038.db2.gz JHQFJTNBOJFISJ-UHFFFAOYSA-N 2 1 291.439 1.346 10 30 CDEEMP C#CC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001718028202 1180975044 /nfs/dbraw/zinc/97/50/44/1180975044.db2.gz JHQFJTNBOJFISJ-UHFFFAOYSA-N 2 1 291.439 1.346 10 30 CDEEMP C#CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001718028202 1180975051 /nfs/dbraw/zinc/97/50/51/1180975051.db2.gz JHQFJTNBOJFISJ-UHFFFAOYSA-N 2 1 291.439 1.346 10 30 CDEEMP C=CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001724601842 1181701307 /nfs/dbraw/zinc/70/13/07/1181701307.db2.gz BUFAPZZMXGHHSI-KBPBESRZSA-N 2 1 267.417 1.197 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001725115198 1181869963 /nfs/dbraw/zinc/86/99/63/1181869963.db2.gz RPJLALYWKFTXHD-ZIAGYGMSSA-N 2 1 290.411 1.478 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725353563 1181969444 /nfs/dbraw/zinc/96/94/44/1181969444.db2.gz PIXHLNWSLBUGMC-BZUAXINKSA-N 2 1 293.455 1.920 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731259518 1182279273 /nfs/dbraw/zinc/27/92/73/1182279273.db2.gz LKKWSOJAEQHABR-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001731664941 1182507942 /nfs/dbraw/zinc/50/79/42/1182507942.db2.gz WQJUDELOXHVSFP-HOTGVXAUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(C)C)C1 ZINC001731664941 1182507947 /nfs/dbraw/zinc/50/79/47/1182507947.db2.gz WQJUDELOXHVSFP-HOTGVXAUSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001732279853 1182893926 /nfs/dbraw/zinc/89/39/26/1182893926.db2.gz JCNYDDOJGKKXOM-ZMSDIMECSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001732468165 1182980672 /nfs/dbraw/zinc/98/06/72/1182980672.db2.gz JJIZTPQSRLKSLW-RDJZCZTQSA-N 2 1 291.439 1.226 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001733065431 1183273459 /nfs/dbraw/zinc/27/34/59/1183273459.db2.gz IILIIWQBQLRGMR-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065431 1183273463 /nfs/dbraw/zinc/27/34/63/1183273463.db2.gz IILIIWQBQLRGMR-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1CC ZINC001733065431 1183273468 /nfs/dbraw/zinc/27/34/68/1183273468.db2.gz IILIIWQBQLRGMR-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001733393284 1183416603 /nfs/dbraw/zinc/41/66/03/1183416603.db2.gz RHRXRWXDXLJNLS-KRWDZBQOSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)CCC[NH+]1CCCCC1 ZINC001734063635 1183644061 /nfs/dbraw/zinc/64/40/61/1183644061.db2.gz AEEODBBOGJZUEK-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C[NH2+]C[C@](C)(O)C[N@@H+](C)CCc1cccc(C#N)c1 ZINC000866698070 743456952 /nfs/dbraw/zinc/45/69/52/743456952.db2.gz MKONSBBKSDEEAU-HNNXBMFYSA-N 2 1 261.369 1.003 10 30 CDEEMP C[N@@H+](CCc1cccc(C#N)c1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923417398 745231136 /nfs/dbraw/zinc/23/11/36/745231136.db2.gz UHCLRFPCFMCQEA-INIZCTEOSA-N 2 1 285.391 1.411 10 30 CDEEMP C#CCC1([NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)CCC1 ZINC000922998532 745418781 /nfs/dbraw/zinc/41/87/81/745418781.db2.gz WOIASRXRZXBRKJ-UHFFFAOYSA-N 2 1 299.422 1.264 10 30 CDEEMP C#C[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000934516256 745828661 /nfs/dbraw/zinc/82/86/61/745828661.db2.gz FFXSZTDQNREDKE-KRWDZBQOSA-N 2 1 277.456 1.890 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876728251 745869377 /nfs/dbraw/zinc/86/93/77/745869377.db2.gz ZAUMIELEDJPYBU-WOPDTQHZSA-N 2 1 271.792 1.199 10 30 CDEEMP CC[NH+]=C(NCCCOC)NCCCn1cc[nH+]c1C ZINC000075583284 746248552 /nfs/dbraw/zinc/24/85/52/746248552.db2.gz WYACZCRUPKBWRH-UHFFFAOYSA-N 2 1 281.404 1.173 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001571408678 1167595038 /nfs/dbraw/zinc/59/50/38/1167595038.db2.gz WHDSDHXBLSJJHZ-JKSUJKDBSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CC ZINC001566020831 1168217193 /nfs/dbraw/zinc/21/71/93/1168217193.db2.gz UQYRWNIIBISGSI-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001566076245 1168229415 /nfs/dbraw/zinc/22/94/15/1168229415.db2.gz UQVLYBRYQZNABF-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H]1C ZINC001566092982 1168233171 /nfs/dbraw/zinc/23/31/71/1168233171.db2.gz QRZLOFWQUVZCPP-KGLIPLIRSA-N 2 1 277.412 1.073 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001567265180 1168643623 /nfs/dbraw/zinc/64/36/23/1168643623.db2.gz RPJRODSPWUUTLN-OAHLLOKOSA-N 2 1 289.423 1.076 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001272533650 913386397 /nfs/dbraw/zinc/38/63/97/913386397.db2.gz HJVINSIDOIBFSQ-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001266465921 894989818 /nfs/dbraw/zinc/98/98/18/894989818.db2.gz FRIXGPZSOYHTFR-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=CC[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 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/nfs/dbraw/zinc/08/81/79/908088179.db2.gz XNGXVZNHQSGWBI-UHFFFAOYSA-N 2 1 278.400 1.583 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001482642581 908108922 /nfs/dbraw/zinc/10/89/22/908108922.db2.gz MIUAKWQUPFQILL-JKSUJKDBSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483007487 908683918 /nfs/dbraw/zinc/68/39/18/908683918.db2.gz AKPJDAPHFYWUCO-PRQMKSPXSA-N 2 1 277.412 1.002 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC=C ZINC001483352727 910956539 /nfs/dbraw/zinc/95/65/39/910956539.db2.gz ZCOXAQKVLQIDPN-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCCC=C ZINC001483352727 910956553 /nfs/dbraw/zinc/95/65/53/910956553.db2.gz ZCOXAQKVLQIDPN-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCC=C ZINC001483352727 910956569 /nfs/dbraw/zinc/95/65/69/910956569.db2.gz ZCOXAQKVLQIDPN-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP 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/nfs/dbraw/zinc/37/78/68/916377868.db2.gz OUIDYEZHXGQMRM-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)Cn2c[nH+]cc2C)CCCCC1 ZINC001485452660 916976483 /nfs/dbraw/zinc/97/64/83/916976483.db2.gz IDUAEEUGWUMQAG-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001649448962 1169258898 /nfs/dbraw/zinc/25/88/98/1169258898.db2.gz HHLRYTMQDYJQTL-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001649464315 1169265040 /nfs/dbraw/zinc/26/50/40/1169265040.db2.gz QFWAFUKSNASTRF-GJZGRUSLSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001489297197 926856943 /nfs/dbraw/zinc/85/69/43/926856943.db2.gz DICKSHRGLFPWIV-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)[C@H]1C ZINC001489297197 926856951 /nfs/dbraw/zinc/85/69/51/926856951.db2.gz DICKSHRGLFPWIV-HIFRSBDPSA-N 2 1 290.411 1.737 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001490776827 927341857 /nfs/dbraw/zinc/34/18/57/927341857.db2.gz KZVBFKAXGKIQHH-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001490776827 927341872 /nfs/dbraw/zinc/34/18/72/927341872.db2.gz KZVBFKAXGKIQHH-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001490776827 927341888 /nfs/dbraw/zinc/34/18/88/927341888.db2.gz KZVBFKAXGKIQHH-HOTGVXAUSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001280263881 942427042 /nfs/dbraw/zinc/42/70/42/942427042.db2.gz OBEHSAIRUMKUCA-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001280263882 942427132 /nfs/dbraw/zinc/42/71/32/942427132.db2.gz OBEHSAIRUMKUCA-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH+]1CC[C@]2(C1)CCCN(C(=O)CC[N@H+](C)CC)C2 ZINC001281101422 942535852 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CC#CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)CCC ZINC001502392741 974732022 /nfs/dbraw/zinc/73/20/22/974732022.db2.gz UDNWJNPKQJRDJA-UHFFFAOYSA-N 2 1 267.417 1.132 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)CCC ZINC001502392741 974732026 /nfs/dbraw/zinc/73/20/26/974732026.db2.gz UDNWJNPKQJRDJA-UHFFFAOYSA-N 2 1 267.417 1.132 10 30 CDEEMP CC#CC[N@H+](C)CCCN(C)C(=O)C[NH+](C)CCC ZINC001502392741 974732031 /nfs/dbraw/zinc/73/20/31/974732031.db2.gz UDNWJNPKQJRDJA-UHFFFAOYSA-N 2 1 267.417 1.132 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001506061314 975104761 /nfs/dbraw/zinc/10/47/61/975104761.db2.gz SSZBOUMIYXSIDW-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001506061314 975104764 /nfs/dbraw/zinc/10/47/64/975104764.db2.gz SSZBOUMIYXSIDW-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001506061314 975104767 /nfs/dbraw/zinc/10/47/67/975104767.db2.gz SSZBOUMIYXSIDW-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001506061314 975104770 /nfs/dbraw/zinc/10/47/70/975104770.db2.gz SSZBOUMIYXSIDW-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCC[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001506670047 975200915 /nfs/dbraw/zinc/20/09/15/975200915.db2.gz IROHTAUAIHEQLO-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001506962082 975275225 /nfs/dbraw/zinc/27/52/25/975275225.db2.gz VCGAXDRNZOUEHT-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001507035632 975300977 /nfs/dbraw/zinc/30/09/77/975300977.db2.gz HTBKOPKTUJPLJL-HNNXBMFYSA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001507398294 975452237 /nfs/dbraw/zinc/45/22/37/975452237.db2.gz ISOVOJGKZPEEPE-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP 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C=C(C)C[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001660369211 1172205106 /nfs/dbraw/zinc/20/51/06/1172205106.db2.gz RZXVSMCDWPYBIY-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001660369211 1172205117 /nfs/dbraw/zinc/20/51/17/1172205117.db2.gz RZXVSMCDWPYBIY-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001660369211 1172205120 /nfs/dbraw/zinc/20/51/20/1172205120.db2.gz RZXVSMCDWPYBIY-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001660409333 1172211194 /nfs/dbraw/zinc/21/11/94/1172211194.db2.gz YOOILKHDRQBPQP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001660409333 1172211204 /nfs/dbraw/zinc/21/12/04/1172211204.db2.gz YOOILKHDRQBPQP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001660409333 1172211213 /nfs/dbraw/zinc/21/12/13/1172211213.db2.gz 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176069045 /nfs/dbraw/zinc/06/90/45/176069045.db2.gz UDGLDVXNXXWOLW-LSDHHAIUSA-N 2 1 266.433 1.542 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001669599391 1173573802 /nfs/dbraw/zinc/57/38/02/1173573802.db2.gz OCUASQCCLNWHOE-ZDUSSCGKSA-N 2 1 279.428 1.367 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001673391127 1173851943 /nfs/dbraw/zinc/85/19/43/1173851943.db2.gz LLHCJRIBEDPLMT-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001725163126 1159173595 /nfs/dbraw/zinc/17/35/95/1159173595.db2.gz BGPHAEXDSQVDER-ZIAGYGMSSA-N 2 1 285.407 1.126 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001268737741 1160009738 /nfs/dbraw/zinc/00/97/38/1160009738.db2.gz NFOXUGGWBCGCGA-AWEZNQCLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@H+](C)CCC ZINC001269602076 1160065688 /nfs/dbraw/zinc/06/56/88/1160065688.db2.gz RSQXCHBBBAQCGK-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001269602076 1160065694 /nfs/dbraw/zinc/06/56/94/1160065694.db2.gz RSQXCHBBBAQCGK-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CCC ZINC001269602076 1160065701 /nfs/dbraw/zinc/06/57/01/1160065701.db2.gz RSQXCHBBBAQCGK-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001700888918 1177180448 /nfs/dbraw/zinc/18/04/48/1177180448.db2.gz RORYYQXXBUXZGL-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001700888918 1177180451 /nfs/dbraw/zinc/18/04/51/1177180451.db2.gz RORYYQXXBUXZGL-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001700888918 1177180456 /nfs/dbraw/zinc/18/04/56/1177180456.db2.gz RORYYQXXBUXZGL-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001482570895 1160416468 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10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001734039297 1183628989 /nfs/dbraw/zinc/62/89/89/1183628989.db2.gz KAYXXOBCKQDSSV-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001734039297 1183628990 /nfs/dbraw/zinc/62/89/90/1183628990.db2.gz KAYXXOBCKQDSSV-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001734039297 1183628992 /nfs/dbraw/zinc/62/89/92/1183628992.db2.gz KAYXXOBCKQDSSV-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP Cc1[nH+]ccn1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049331326 527433773 /nfs/dbraw/zinc/43/37/73/527433773.db2.gz IKUUELZRVXGOQP-UHFFFAOYSA-N 2 1 255.321 1.581 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001698594084 1175194690 /nfs/dbraw/zinc/19/46/90/1175194690.db2.gz FJZBWBLRBURAIQ-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCCC[C@H]([NH3+])c1nc(CC2CC[NH2+]CC2)no1 ZINC000900017319 622644401 /nfs/dbraw/zinc/64/44/01/622644401.db2.gz CJGLMMROFXOGMH-LBPRGKRZSA-N 2 1 264.373 1.968 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000900427198 623040012 /nfs/dbraw/zinc/04/00/12/623040012.db2.gz VAVDUSUALKHMBR-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000912296818 629899211 /nfs/dbraw/zinc/89/92/11/629899211.db2.gz LBPQKAKYARGIOF-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001266859052 1158913441 /nfs/dbraw/zinc/91/34/41/1158913441.db2.gz WRFPEFORTGFGPL-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001691263244 1158984036 /nfs/dbraw/zinc/98/40/36/1158984036.db2.gz KFQJKDUWWBIUPH-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]1CC ZINC001566029411 1168217370 /nfs/dbraw/zinc/21/73/70/1168217370.db2.gz ZVHGSZWVVTTWCE-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001566029411 1168217377 /nfs/dbraw/zinc/21/73/77/1168217377.db2.gz ZVHGSZWVVTTWCE-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001566029411 1168217381 /nfs/dbraw/zinc/21/73/81/1168217381.db2.gz ZVHGSZWVVTTWCE-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001566863615 1168449682 /nfs/dbraw/zinc/44/96/82/1168449682.db2.gz YEWKLTVRPHMEJH-QLFBSQMISA-N 2 1 279.428 1.674 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001567307887 1168670749 /nfs/dbraw/zinc/67/07/49/1168670749.db2.gz MGLCJRXMBKSZDT-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001567307887 1168670752 /nfs/dbraw/zinc/67/07/52/1168670752.db2.gz MGLCJRXMBKSZDT-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001567307887 1168670756 /nfs/dbraw/zinc/67/07/56/1168670756.db2.gz MGLCJRXMBKSZDT-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001569673894 1169963124 /nfs/dbraw/zinc/96/31/24/1169963124.db2.gz ZPBRUAGNFMFLBL-INIZCTEOSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)CCCn1ccnc1C ZINC001570742388 1170263594 /nfs/dbraw/zinc/26/35/94/1170263594.db2.gz OYPATLNKABEBQP-CYBMUJFWSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001570742388 1170263605 /nfs/dbraw/zinc/26/36/05/1170263605.db2.gz OYPATLNKABEBQP-CYBMUJFWSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](CCCC)C[NH2+]CC ZINC001570810871 1170285004 /nfs/dbraw/zinc/28/50/04/1170285004.db2.gz YTTFSFLBOVPZGC-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCCC)C[NH2+]CC ZINC001570810871 1170285008 /nfs/dbraw/zinc/28/50/08/1170285008.db2.gz YTTFSFLBOVPZGC-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001571125821 1170339482 /nfs/dbraw/zinc/33/94/82/1170339482.db2.gz OGUGXVMZZQOSKM-RBSFLKMASA-N 2 1 279.428 1.531 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC001650417685 1171046359 /nfs/dbraw/zinc/04/63/59/1171046359.db2.gz NHXFSRCZCVTCAU-LLVKDONJSA-N 2 1 273.808 1.304 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001660744755 1172270607 /nfs/dbraw/zinc/27/06/07/1172270607.db2.gz NSUIWRNVLHWANE-UHFFFAOYSA-N 2 1 289.423 1.076 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001662351442 1172535894 /nfs/dbraw/zinc/53/58/94/1172535894.db2.gz VYGYVAKKMOZIPP-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001667663996 1173306801 /nfs/dbraw/zinc/30/68/01/1173306801.db2.gz HSPXNWUJWMHWJP-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001667663996 1173306809 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10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001698588950 1175859522 /nfs/dbraw/zinc/85/95/22/1175859522.db2.gz XAOMJZAPFYRPPJ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)CCC)CC2 ZINC001698811090 1175941642 /nfs/dbraw/zinc/94/16/42/1175941642.db2.gz IRYDUHPPNBZUTH-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H](C)C1 ZINC001699743905 1176600538 /nfs/dbraw/zinc/60/05/38/1176600538.db2.gz RNYVIEWLLRRNGV-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699763341 1176611929 /nfs/dbraw/zinc/61/19/29/1176611929.db2.gz VZDHFPUSQCWLHG-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001700486892 1176975061 /nfs/dbraw/zinc/97/50/61/1176975061.db2.gz HAVSUSHEKMINPY-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700486892 1176975068 /nfs/dbraw/zinc/97/50/68/1176975068.db2.gz HAVSUSHEKMINPY-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001700486892 1176975072 /nfs/dbraw/zinc/97/50/72/1176975072.db2.gz HAVSUSHEKMINPY-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCCCC1 ZINC001700488117 1176978325 /nfs/dbraw/zinc/97/83/25/1176978325.db2.gz RCZQFTIOIMSSIW-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001700628616 1177042470 /nfs/dbraw/zinc/04/24/70/1177042470.db2.gz AHCRCWOXASOTJR-KKUMJFAQSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[N@H+](C)CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC001700976129 1177221727 /nfs/dbraw/zinc/22/17/27/1177221727.db2.gz HBLMDXRXNKGJEN-UHFFFAOYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056405 1177258088 /nfs/dbraw/zinc/25/80/88/1177258088.db2.gz HARDWBVRGRMFDC-UHFFFAOYSA-N 2 1 279.428 1.653 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001707070984 1177937535 /nfs/dbraw/zinc/93/75/35/1177937535.db2.gz WLXCRDZPJCQJKY-YHUYYLMFSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001712990528 1178289811 /nfs/dbraw/zinc/28/98/11/1178289811.db2.gz CCAGYSIYYSURNX-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001713112141 1178373248 /nfs/dbraw/zinc/37/32/48/1178373248.db2.gz OBZIAPQKOVFWCW-CQSZACIVSA-N 2 1 292.383 1.020 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001713517858 1178620871 /nfs/dbraw/zinc/62/08/71/1178620871.db2.gz SADOXJCQCDFZAB-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713517858 1178620874 /nfs/dbraw/zinc/62/08/74/1178620874.db2.gz SADOXJCQCDFZAB-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001713517858 1178620877 /nfs/dbraw/zinc/62/08/77/1178620877.db2.gz SADOXJCQCDFZAB-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001713539952 1178633707 /nfs/dbraw/zinc/63/37/07/1178633707.db2.gz PFHNHLPYKAGNLR-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001713539952 1178633703 /nfs/dbraw/zinc/63/37/03/1178633703.db2.gz PFHNHLPYKAGNLR-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001713539952 1178633705 /nfs/dbraw/zinc/63/37/05/1178633705.db2.gz PFHNHLPYKAGNLR-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714046600 1178943751 /nfs/dbraw/zinc/94/37/51/1178943751.db2.gz HWLLMAHKGJMQKV-GJZGRUSLSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001714114868 1178978723 /nfs/dbraw/zinc/97/87/23/1178978723.db2.gz ODBDWFVJFWRCAZ-HUUCEWRRSA-N 2 1 290.411 1.991 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001714390076 1179119716 /nfs/dbraw/zinc/11/97/16/1179119716.db2.gz BLBGOHFJUOUVCE-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001714445073 1179142274 /nfs/dbraw/zinc/14/22/74/1179142274.db2.gz DWYWOCYDHNPOAM-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001714474333 1179160655 /nfs/dbraw/zinc/16/06/55/1179160655.db2.gz JCQYMHLEPXFOEL-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714489777 1179167538 /nfs/dbraw/zinc/16/75/38/1179167538.db2.gz RJQUBSMNTJTTBG-CZUORRHYSA-N 2 1 297.418 1.317 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CC ZINC001714620808 1179270426 /nfs/dbraw/zinc/27/04/26/1179270426.db2.gz VZJQZELXEMQZEH-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)CC ZINC001714620808 1179270433 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C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001714857176 1179423171 /nfs/dbraw/zinc/42/31/71/1179423171.db2.gz RFOSOLWGFIECQT-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715026733 1179516465 /nfs/dbraw/zinc/51/64/65/1179516465.db2.gz XFLSLDCRMPLSON-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715026733 1179516467 /nfs/dbraw/zinc/51/64/67/1179516467.db2.gz XFLSLDCRMPLSON-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715026733 1179516471 /nfs/dbraw/zinc/51/64/71/1179516471.db2.gz XFLSLDCRMPLSON-OAHLLOKOSA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001715683975 1179763690 /nfs/dbraw/zinc/76/36/90/1179763690.db2.gz FVHZRUUCKCLEBR-CQSZACIVSA-N 2 1 290.411 1.514 10 30 CDEEMP C=CC[N@@H+](C)CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001716026838 1180002445 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C=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717336451 1180620082 /nfs/dbraw/zinc/62/00/82/1180620082.db2.gz FTJLJGQWPLPFKZ-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001717948479 1180940257 /nfs/dbraw/zinc/94/02/57/1180940257.db2.gz NRRMMKJTVSDKEU-INIZCTEOSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001717948479 1180940259 /nfs/dbraw/zinc/94/02/59/1180940259.db2.gz NRRMMKJTVSDKEU-INIZCTEOSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001717948479 1180940262 /nfs/dbraw/zinc/94/02/62/1180940262.db2.gz NRRMMKJTVSDKEU-INIZCTEOSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001717948479 1180940268 /nfs/dbraw/zinc/94/02/68/1180940268.db2.gz NRRMMKJTVSDKEU-INIZCTEOSA-N 2 1 293.455 1.661 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)Cn1c[nH+]cc1C)C(C)(C)C ZINC001717961078 1180950352 /nfs/dbraw/zinc/95/03/52/1180950352.db2.gz BIWGMAHUBAARSB-CYBMUJFWSA-N 2 1 278.400 1.498 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033870 1180978199 /nfs/dbraw/zinc/97/81/99/1180978199.db2.gz YLWZISWIBYLUCU-UHFFFAOYSA-N 2 1 291.439 1.797 10 30 CDEEMP C=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001723689650 1181593037 /nfs/dbraw/zinc/59/30/37/1181593037.db2.gz AEKJQFMOTCAZPJ-QGZVFWFLSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001723689650 1181593040 /nfs/dbraw/zinc/59/30/40/1181593040.db2.gz AEKJQFMOTCAZPJ-QGZVFWFLSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001723689650 1181593044 /nfs/dbraw/zinc/59/30/44/1181593044.db2.gz AEKJQFMOTCAZPJ-QGZVFWFLSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001723812751 1181605984 /nfs/dbraw/zinc/60/59/84/1181605984.db2.gz IDDMMKHHPMRDOK-AWEZNQCLSA-N 2 1 281.444 1.826 10 30 CDEEMP C=CC[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001724022960 1181630284 /nfs/dbraw/zinc/63/02/84/1181630284.db2.gz LQJXNCDOMXHMLQ-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001724162148 1181646418 /nfs/dbraw/zinc/64/64/18/1181646418.db2.gz MYYWHQLTECDWJU-MRXNPFEDSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001724162148 1181646419 /nfs/dbraw/zinc/64/64/19/1181646419.db2.gz MYYWHQLTECDWJU-MRXNPFEDSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C2CCC2)C1 ZINC001724162148 1181646422 /nfs/dbraw/zinc/64/64/22/1181646422.db2.gz MYYWHQLTECDWJU-MRXNPFEDSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001725042298 1181832951 /nfs/dbraw/zinc/83/29/51/1181832951.db2.gz OIUYATAUCRBWJJ-BZUAXINKSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001725042298 1181832955 /nfs/dbraw/zinc/83/29/55/1181832955.db2.gz OIUYATAUCRBWJJ-BZUAXINKSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001725042298 1181832962 /nfs/dbraw/zinc/83/29/62/1181832962.db2.gz OIUYATAUCRBWJJ-BZUAXINKSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001725191940 1181914913 /nfs/dbraw/zinc/91/49/13/1181914913.db2.gz FSBGVTORMYUODE-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001725230908 1181928129 /nfs/dbraw/zinc/92/81/29/1181928129.db2.gz XXUYRSQQCQJWDM-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001725474880 1182013659 /nfs/dbraw/zinc/01/36/59/1182013659.db2.gz CUVZGLIJVTWKLN-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](F)C[NH+](CC)CC ZINC001731536163 1182440064 /nfs/dbraw/zinc/44/00/64/1182440064.db2.gz LPIDGUYETZTZRA-LSDHHAIUSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731663202 1182507894 /nfs/dbraw/zinc/50/78/94/1182507894.db2.gz LCWIZIUXICDMTK-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001732101387 1182769165 /nfs/dbraw/zinc/76/91/65/1182769165.db2.gz OOYCXBUCDVDPCN-ZDUSSCGKSA-N 2 1 279.428 1.626 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732422684 1182957819 /nfs/dbraw/zinc/95/78/19/1182957819.db2.gz JVTQZDQWSRLIGN-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001732542396 1183001028 /nfs/dbraw/zinc/00/10/28/1183001028.db2.gz YUWKYVGQKLKEFX-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733049571 1183264230 /nfs/dbraw/zinc/26/42/30/1183264230.db2.gz SDPAFDRPWYSYRQ-CQSZACIVSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001733228327 1183354491 /nfs/dbraw/zinc/35/44/91/1183354491.db2.gz CZTFJAVSUYAXDT-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001733446276 1183434745 /nfs/dbraw/zinc/43/47/45/1183434745.db2.gz UDBQMZJGSUOCQG-RDJZCZTQSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001733557274 1183465645 /nfs/dbraw/zinc/46/56/45/1183465645.db2.gz POMFOWZLLSXQQB-LSDHHAIUSA-N 2 1 279.428 1.036 10 30 CDEEMP CC#CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001734076414 1183648559 /nfs/dbraw/zinc/64/85/59/1183648559.db2.gz BUODKESNPVZBMO-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001734317656 1183727043 /nfs/dbraw/zinc/72/70/43/1183727043.db2.gz QNRZCMIDACELFU-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP CN(C)C(NCc1ccccc1)=[NH+]C[C@H]1CCC[N@H+]1C ZINC000262013756 751931707 /nfs/dbraw/zinc/93/17/07/751931707.db2.gz VEPFSOVSHSWIOE-OAHLLOKOSA-N 2 1 274.412 1.788 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000923329792 749889619 /nfs/dbraw/zinc/88/96/19/749889619.db2.gz OYCOFEUHNBORRN-KKUMJFAQSA-N 2 1 252.402 1.778 10 30 CDEEMP C#C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635892 750899993 /nfs/dbraw/zinc/89/99/93/750899993.db2.gz HHPCUFWTUAYRGK-SNPRPXQTSA-N 2 1 250.386 1.487 10 30 CDEEMP C#C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CCOCC1 ZINC000877635892 750899994 /nfs/dbraw/zinc/89/99/94/750899994.db2.gz HHPCUFWTUAYRGK-SNPRPXQTSA-N 2 1 250.386 1.487 10 30 CDEEMP C=CC[N@@H+](C)CCN(CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC001634646867 1166525035 /nfs/dbraw/zinc/52/50/35/1166525035.db2.gz SSUMCYVNBIAOAE-UHFFFAOYSA-N 2 1 292.427 1.973 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC001634646867 1166525042 /nfs/dbraw/zinc/52/50/42/1166525042.db2.gz SSUMCYVNBIAOAE-UHFFFAOYSA-N 2 1 292.427 1.973 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001566682826 1168388031 /nfs/dbraw/zinc/38/80/31/1168388031.db2.gz NJODEGNUUUHLLX-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001566880624 1168455337 /nfs/dbraw/zinc/45/53/37/1168455337.db2.gz BJKVLPVJGKOSQF-INIZCTEOSA-N 2 1 293.455 1.877 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483680881 912661957 /nfs/dbraw/zinc/66/19/57/912661957.db2.gz IVVQYZWVVUPFCX-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001483680881 912661973 /nfs/dbraw/zinc/66/19/73/912661973.db2.gz IVVQYZWVVUPFCX-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001483680881 912661980 /nfs/dbraw/zinc/66/19/80/912661980.db2.gz IVVQYZWVVUPFCX-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001483680881 912661991 /nfs/dbraw/zinc/66/19/91/912661991.db2.gz IVVQYZWVVUPFCX-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001483707815 912946078 /nfs/dbraw/zinc/94/60/78/912946078.db2.gz FQBRDNRWRUMWGF-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001483707815 912946092 /nfs/dbraw/zinc/94/60/92/912946092.db2.gz FQBRDNRWRUMWGF-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483722068 913083885 /nfs/dbraw/zinc/08/38/85/913083885.db2.gz PNZRMWSNSBLHMC-ZDUSSCGKSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001567354189 1168698670 /nfs/dbraw/zinc/69/86/70/1168698670.db2.gz UGVVLFKBOWWUGY-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001567354189 1168698673 /nfs/dbraw/zinc/69/86/73/1168698673.db2.gz UGVVLFKBOWWUGY-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC001567354189 1168698679 /nfs/dbraw/zinc/69/86/79/1168698679.db2.gz UGVVLFKBOWWUGY-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001266246288 893906032 /nfs/dbraw/zinc/90/60/32/893906032.db2.gz NERFZPWTNIEJMG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001266246288 893906042 /nfs/dbraw/zinc/90/60/42/893906042.db2.gz NERFZPWTNIEJMG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001266246288 893906060 /nfs/dbraw/zinc/90/60/60/893906060.db2.gz NERFZPWTNIEJMG-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C[C@H](C)n2ccnc2)C1 ZINC001266344021 894472140 /nfs/dbraw/zinc/47/21/40/894472140.db2.gz BLHLPXHBGCFQFP-KBPBESRZSA-N 2 1 276.384 1.601 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266359457 894557894 /nfs/dbraw/zinc/55/78/94/894557894.db2.gz VXTIEGAABFFVGL-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266362671 894570487 /nfs/dbraw/zinc/57/04/87/894570487.db2.gz PMOLVJPAUPPMIO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266362671 894570493 /nfs/dbraw/zinc/57/04/93/894570493.db2.gz PMOLVJPAUPPMIO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1CC ZINC001266362671 894570495 /nfs/dbraw/zinc/57/04/95/894570495.db2.gz PMOLVJPAUPPMIO-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001266362577 894571313 /nfs/dbraw/zinc/57/13/13/894571313.db2.gz METBDXVSYRZQRE-UHFFFAOYSA-N 2 1 273.380 1.043 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001266430709 894838576 /nfs/dbraw/zinc/83/85/76/894838576.db2.gz ALRFUHMOWLTPMU-HNNXBMFYSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001266702091 895862715 /nfs/dbraw/zinc/86/27/15/895862715.db2.gz OUUJJHTYQSBZHM-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP 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C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001267777712 899700695 /nfs/dbraw/zinc/70/06/95/899700695.db2.gz QQROCPGMLVPOKA-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001567686864 1168917860 /nfs/dbraw/zinc/91/78/60/1168917860.db2.gz RFOSOLWGFIECQT-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001567686864 1168917870 /nfs/dbraw/zinc/91/78/70/1168917870.db2.gz RFOSOLWGFIECQT-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(CCC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001567686864 1168917879 /nfs/dbraw/zinc/91/78/79/1168917879.db2.gz RFOSOLWGFIECQT-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001567701182 1168925134 /nfs/dbraw/zinc/92/51/34/1168925134.db2.gz DNZSKFIYDFHNMO-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001268087049 901165846 /nfs/dbraw/zinc/16/58/46/901165846.db2.gz OHUJVPYGXIQIQX-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268109611 901310669 /nfs/dbraw/zinc/31/06/69/901310669.db2.gz LJMMAGZSSXYKHP-LSDHHAIUSA-N 2 1 281.444 1.777 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001481741394 901989505 /nfs/dbraw/zinc/98/95/05/901989505.db2.gz LJQDGDRVTSMYCC-HNNXBMFYSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001268440129 902061089 /nfs/dbraw/zinc/06/10/89/902061089.db2.gz WWDYVWGYMXYLAK-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=C)C ZINC001481819927 902176877 /nfs/dbraw/zinc/17/68/77/902176877.db2.gz GRWIQKVXZSYXRZ-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=C)C ZINC001481819927 902176881 /nfs/dbraw/zinc/17/68/81/902176881.db2.gz GRWIQKVXZSYXRZ-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001268547970 902546728 /nfs/dbraw/zinc/54/67/28/902546728.db2.gz IZRDWGZQXZQPSQ-ISZGNANSSA-N 2 1 299.846 1.875 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001269997550 904255760 /nfs/dbraw/zinc/25/57/60/904255760.db2.gz JIFLEWUVYPUXKG-BZUAXINKSA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001482303214 904825841 /nfs/dbraw/zinc/82/58/41/904825841.db2.gz XWHFOMYSGVMHOX-LBPRGKRZSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270631719 904859816 /nfs/dbraw/zinc/85/98/16/904859816.db2.gz FMOYZVYGAISIDW-QGZVFWFLSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001505833990 908308460 /nfs/dbraw/zinc/30/84/60/908308460.db2.gz YDMVJMDCZAOTEH-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)CCC[NH+]1CCCC1 ZINC001272178738 908680410 /nfs/dbraw/zinc/68/04/10/908680410.db2.gz PRFDZMCZAGXBSX-UHFFFAOYSA-N 2 1 279.428 1.276 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001483167264 909905617 /nfs/dbraw/zinc/90/56/17/909905617.db2.gz XSRKHKVGTCWXKZ-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001273018760 921568018 /nfs/dbraw/zinc/56/80/18/921568018.db2.gz OIGQNRYJNHXZOG-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001483410746 911083856 /nfs/dbraw/zinc/08/38/56/911083856.db2.gz WMUDOCLLENMTAY-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483410746 911083871 /nfs/dbraw/zinc/08/38/71/911083871.db2.gz WMUDOCLLENMTAY-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001483410746 911083889 /nfs/dbraw/zinc/08/38/89/911083889.db2.gz WMUDOCLLENMTAY-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001483473874 911166179 /nfs/dbraw/zinc/16/61/79/911166179.db2.gz DDDGMPZMKMDHIS-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001483487580 911185722 /nfs/dbraw/zinc/18/57/22/911185722.db2.gz AKLCYPMHNWUDBC-AWEZNQCLSA-N 2 1 290.411 1.378 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001483572872 911280419 /nfs/dbraw/zinc/28/04/19/911280419.db2.gz ZGVURXLSRYVVET-ZIAGYGMSSA-N 2 1 299.846 1.708 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001484411051 915733905 /nfs/dbraw/zinc/73/39/05/915733905.db2.gz WYTOCIDQMXCSBG-GASCZTMLSA-N 2 1 291.439 1.295 10 30 CDEEMP C=CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484511993 915835047 /nfs/dbraw/zinc/83/50/47/915835047.db2.gz NMEKKJSRJXBKSQ-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CCC1 ZINC001484663445 916011956 /nfs/dbraw/zinc/01/19/56/916011956.db2.gz UOBVOEHAHCVKSZ-GASCZTMLSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001484918076 916273173 /nfs/dbraw/zinc/27/31/73/916273173.db2.gz HZFOLBQSEXQPQV-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001486083453 920686253 /nfs/dbraw/zinc/68/62/53/920686253.db2.gz IFSLKDSWTURPRY-ZIAGYGMSSA-N 2 1 276.384 1.347 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001486092863 920692023 /nfs/dbraw/zinc/69/20/23/920692023.db2.gz IEZPKLLFNVROCU-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001491024840 936843906 /nfs/dbraw/zinc/84/39/06/936843906.db2.gz PBQNORLSCLSBIJ-QLFBSQMISA-N 2 1 277.412 1.121 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cc1cnc[nH]1 ZINC001488666974 926643676 /nfs/dbraw/zinc/64/36/76/926643676.db2.gz JVGFFSAJXGTOAL-ZDUSSCGKSA-N 2 1 262.357 1.061 10 30 CDEEMP C=CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001488899136 926739197 /nfs/dbraw/zinc/73/91/97/926739197.db2.gz WKNGUMLEWJRTDK-RRFJBIMHSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001489333069 926874490 /nfs/dbraw/zinc/87/44/90/926874490.db2.gz IPNZTGXAARVVNZ-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001489333069 926874499 /nfs/dbraw/zinc/87/44/99/926874499.db2.gz IPNZTGXAARVVNZ-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001489333069 926874514 /nfs/dbraw/zinc/87/45/14/926874514.db2.gz IPNZTGXAARVVNZ-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)C)C(C)C ZINC001568452627 1169294572 /nfs/dbraw/zinc/29/45/72/1169294572.db2.gz HPMDIRKPFUEHAJ-CVEARBPZSA-N 2 1 291.439 1.391 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=C)C)C(C)C ZINC001568452627 1169294580 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C=CCCC[N@H+]1CCC[C@@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001273445023 932826466 /nfs/dbraw/zinc/82/64/66/932826466.db2.gz HZHHQEKJGZLFJL-CQSZACIVSA-N 2 1 290.411 1.889 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cnc[nH]2)CC1 ZINC001273445023 932826472 /nfs/dbraw/zinc/82/64/72/932826472.db2.gz HZHHQEKJGZLFJL-CQSZACIVSA-N 2 1 290.411 1.889 10 30 CDEEMP C[N@@H+]1CC[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000931435879 933558531 /nfs/dbraw/zinc/55/85/31/933558531.db2.gz HTUBHPOHZUZICB-SJORKVTESA-N 2 1 254.377 1.922 10 30 CDEEMP C[N@H+]1CC[C@@H]2C[NH+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000931435879 933558545 /nfs/dbraw/zinc/55/85/45/933558545.db2.gz HTUBHPOHZUZICB-SJORKVTESA-N 2 1 254.377 1.922 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000931435879 933558556 /nfs/dbraw/zinc/55/85/56/933558556.db2.gz HTUBHPOHZUZICB-SJORKVTESA-N 2 1 254.377 1.922 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@@H+](CC#Cc3ccccc3)C[C@@H]2C1 ZINC000931435879 933558566 /nfs/dbraw/zinc/55/85/66/933558566.db2.gz 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C#CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001495160928 972430237 /nfs/dbraw/zinc/43/02/37/972430237.db2.gz OPLJNSXQCKTFGL-HNNXBMFYSA-N 2 1 291.439 1.511 10 30 CDEEMP CC#CC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001322167877 960117426 /nfs/dbraw/zinc/11/74/26/960117426.db2.gz HLVSPQYILNUEIK-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001322167877 960117430 /nfs/dbraw/zinc/11/74/30/960117430.db2.gz HLVSPQYILNUEIK-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001322167877 960117435 /nfs/dbraw/zinc/11/74/35/960117435.db2.gz HLVSPQYILNUEIK-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C[C@@H](CCC#N)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001560139940 960867818 /nfs/dbraw/zinc/86/78/18/960867818.db2.gz KRUGRNYFUVEZBY-ZDUSSCGKSA-N 2 1 265.401 1.912 10 30 CDEEMP CC[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC001349821922 966485831 /nfs/dbraw/zinc/48/58/31/966485831.db2.gz 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CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001379579892 975932701 /nfs/dbraw/zinc/93/27/01/975932701.db2.gz AKLWJOVFMLMRFJ-OLZOCXBDSA-N 2 1 287.835 1.658 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001401876355 975968211 /nfs/dbraw/zinc/96/82/11/975968211.db2.gz SXVPOHOPVLYKJX-GXTWGEPZSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001674554522 1173963527 /nfs/dbraw/zinc/96/35/27/1173963527.db2.gz JITRJUZQFJLYTP-JXQTWKCFSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001676222572 1174193416 /nfs/dbraw/zinc/19/34/16/1174193416.db2.gz UPGPBEIQKBKKKZ-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001676386813 1174217276 /nfs/dbraw/zinc/21/72/76/1174217276.db2.gz LEVSDZFHNMZHDM-KGLIPLIRSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001570197972 1170110499 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C=C(C)C[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001656106055 1171769283 /nfs/dbraw/zinc/76/92/83/1171769283.db2.gz QVRPEQNYGFEGAF-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656106055 1171769291 /nfs/dbraw/zinc/76/92/91/1171769291.db2.gz QVRPEQNYGFEGAF-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001656106055 1171769294 /nfs/dbraw/zinc/76/92/94/1171769294.db2.gz QVRPEQNYGFEGAF-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C[NH+](C)CC1CC[NH+](Cc2ccncc2C#N)CC1 ZINC000592060263 342664821 /nfs/dbraw/zinc/66/48/21/342664821.db2.gz GUTZAUGTUWUXCN-UHFFFAOYSA-N 2 1 258.369 1.727 10 30 CDEEMP C=CCN1CC[C@@H]([N@H+](C)CC2CC[NH+](CC)CC2)C1=O ZINC001659013631 1172089232 /nfs/dbraw/zinc/08/92/32/1172089232.db2.gz AFCGUBAADQRKIA-OAHLLOKOSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261939743 359097198 /nfs/dbraw/zinc/09/71/98/359097198.db2.gz MPWPLEPQQFRHED-BRWVUGGUSA-N 2 1 293.455 1.384 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001661510522 1172399632 /nfs/dbraw/zinc/39/96/32/1172399632.db2.gz CXCHCMCYUCBKDZ-RBSFLKMASA-N 2 1 277.412 1.121 10 30 CDEEMP C[C@@H](CCC#N)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000574162298 371700040 /nfs/dbraw/zinc/70/00/40/371700040.db2.gz GHAKUNGNLVMUES-PMRDEQMMSA-N 2 1 290.455 1.921 10 30 CDEEMP C#CC[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001661723868 1172436554 /nfs/dbraw/zinc/43/65/54/1172436554.db2.gz RHQYSUIKDXCYGD-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661723868 1172436561 /nfs/dbraw/zinc/43/65/61/1172436561.db2.gz RHQYSUIKDXCYGD-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001661723868 1172436566 /nfs/dbraw/zinc/43/65/66/1172436566.db2.gz RHQYSUIKDXCYGD-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001661807207 1172449755 /nfs/dbraw/zinc/44/97/55/1172449755.db2.gz AXMRFRKXPBYABX-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662871930 1172604476 /nfs/dbraw/zinc/60/44/76/1172604476.db2.gz AUCQESUOFKZYLN-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662871930 1172604481 /nfs/dbraw/zinc/60/44/81/1172604481.db2.gz AUCQESUOFKZYLN-HNNXBMFYSA-N 2 1 288.395 1.138 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N(CC)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000664019391 413025128 /nfs/dbraw/zinc/02/51/28/413025128.db2.gz JNNBAJCDGRFVHP-HNNXBMFYSA-N 2 1 294.443 1.372 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCC#N)CC1 ZINC000071892878 390462949 /nfs/dbraw/zinc/46/29/49/390462949.db2.gz SWIBAIYFXLUOPS-MRXNPFEDSA-N 2 1 278.444 1.782 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001663593061 1172732927 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CCCN[C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000071190767 176068644 /nfs/dbraw/zinc/06/86/44/176068644.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 2 1 280.460 1.932 10 30 CDEEMP CCCN[C@](C)(C#N)CCC[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190767 176068645 /nfs/dbraw/zinc/06/86/45/176068645.db2.gz RMBFETSCPHMTBR-HOTGVXAUSA-N 2 1 280.460 1.932 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C/C=C\Cl ZINC001668454769 1173414552 /nfs/dbraw/zinc/41/45/52/1173414552.db2.gz COKBZURUNIOBFS-QPBFKRLHSA-N 2 1 297.830 1.275 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001669980499 1173638996 /nfs/dbraw/zinc/63/89/96/1173638996.db2.gz KIHQSNJAXHGXBG-CVEARBPZSA-N 2 1 293.455 1.616 10 30 CDEEMP C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000262502109 330017980 /nfs/dbraw/zinc/01/79/80/330017980.db2.gz KSQOMBFSKYASJQ-TZMCWYRMSA-N 2 1 288.395 1.509 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCCC[N@H+]1CC)N[C@@H]1C[C@@H]1C ZINC000262776473 330030939 /nfs/dbraw/zinc/03/09/39/330030939.db2.gz KBKRREGYTRHDRD-MELADBBJSA-N 2 1 266.433 1.824 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N(C)C[C@H]1CCC[N@H+]1CC ZINC000262816028 330033723 /nfs/dbraw/zinc/03/37/23/330033723.db2.gz WQWOPLOAQYDNOZ-CQSZACIVSA-N 2 1 266.433 1.921 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267280522 1159232358 /nfs/dbraw/zinc/23/23/58/1159232358.db2.gz UEDNBIGPAGKMCG-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267280522 1159232361 /nfs/dbraw/zinc/23/23/61/1159232361.db2.gz UEDNBIGPAGKMCG-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267280522 1159232366 /nfs/dbraw/zinc/23/23/66/1159232366.db2.gz UEDNBIGPAGKMCG-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=C)Cl ZINC001699103856 1159307797 /nfs/dbraw/zinc/30/77/97/1159307797.db2.gz AIUXRKMUZUOFFR-KGLIPLIRSA-N 2 1 297.830 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=C)Cl ZINC001699103856 1159307804 /nfs/dbraw/zinc/30/78/04/1159307804.db2.gz AIUXRKMUZUOFFR-KGLIPLIRSA-N 2 1 297.830 1.321 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001700317480 1176847601 /nfs/dbraw/zinc/84/76/01/1176847601.db2.gz IFTIZRFZFYTJNW-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001691513714 1160197211 /nfs/dbraw/zinc/19/72/11/1160197211.db2.gz CUPYVOHZJGMDOX-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)C ZINC001482570896 1160416574 /nfs/dbraw/zinc/41/65/74/1160416574.db2.gz HDIOOBKLBFRQCU-ZDUSSCGKSA-N 2 1 289.851 1.810 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001482692186 1160626351 /nfs/dbraw/zinc/62/63/51/1160626351.db2.gz GNIUVBIELLDXAB-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001713241618 1178448034 /nfs/dbraw/zinc/44/80/34/1178448034.db2.gz IJBIILQFRWTXAW-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714653951 1179300778 /nfs/dbraw/zinc/30/07/78/1179300778.db2.gz MANLOODMZGYUMZ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001714653951 1179300786 /nfs/dbraw/zinc/30/07/86/1179300786.db2.gz MANLOODMZGYUMZ-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001716877503 1180450750 /nfs/dbraw/zinc/45/07/50/1180450750.db2.gz ATHSSKHMHJBOGL-INIZCTEOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001717205542 1180574008 /nfs/dbraw/zinc/57/40/08/1180574008.db2.gz MOXVCHGZXSQLFH-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001725137319 1181879822 /nfs/dbraw/zinc/87/98/22/1181879822.db2.gz QKRIHKGUYCNICS-UHFFFAOYSA-N 2 1 281.444 1.872 10 30 CDEEMP [NH3+]CC#Cc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1F ZINC000049608337 527147369 /nfs/dbraw/zinc/14/73/69/527147369.db2.gz QKZZGPQQJVTIEQ-CQSZACIVSA-N 2 1 276.355 1.340 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001689801811 1175261943 /nfs/dbraw/zinc/26/19/43/1175261943.db2.gz CEQRPEMQBYRARJ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001689801811 1175261949 /nfs/dbraw/zinc/26/19/49/1175261949.db2.gz CEQRPEMQBYRARJ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001689801811 1175261953 /nfs/dbraw/zinc/26/19/53/1175261953.db2.gz CEQRPEMQBYRARJ-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733428 617599337 /nfs/dbraw/zinc/59/93/37/617599337.db2.gz SNOUTCYNFXDIFE-ILXRZTDVSA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733428 617599339 /nfs/dbraw/zinc/59/93/39/617599339.db2.gz SNOUTCYNFXDIFE-ILXRZTDVSA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CCC3)C[C@]2(C)C1 ZINC000933733428 617599342 /nfs/dbraw/zinc/59/93/42/617599342.db2.gz SNOUTCYNFXDIFE-ILXRZTDVSA-N 2 1 277.412 1.315 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000900344075 622918700 /nfs/dbraw/zinc/91/87/00/622918700.db2.gz HJXVSCZNPNLGQJ-ZFWWWQNUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](C)Cc2ccccc21 ZINC000900571674 623245923 /nfs/dbraw/zinc/24/59/23/623245923.db2.gz HTGBDYBQAKOBGV-UHFFFAOYSA-N 2 1 287.407 1.973 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@@H+](C)Cc2ccccc21 ZINC000900571674 623245927 /nfs/dbraw/zinc/24/59/27/623245927.db2.gz HTGBDYBQAKOBGV-UHFFFAOYSA-N 2 1 287.407 1.973 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000900824979 623532581 /nfs/dbraw/zinc/53/25/81/623532581.db2.gz QHUYIVVYUYRLHS-KGLIPLIRSA-N 2 1 267.417 1.435 10 30 CDEEMP N#Cc1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000903473090 626004729 /nfs/dbraw/zinc/00/47/29/626004729.db2.gz ZRJFKOPNKDMYMM-OAHLLOKOSA-N 2 1 255.365 1.975 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000908361409 628158992 /nfs/dbraw/zinc/15/89/92/628158992.db2.gz BBWZKHZKYKLYDU-OAHLLOKOSA-N 2 1 265.401 1.049 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001691146026 1158932495 /nfs/dbraw/zinc/93/24/95/1158932495.db2.gz LMPZRBPENLBSMO-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001691146026 1158932498 /nfs/dbraw/zinc/93/24/98/1158932498.db2.gz LMPZRBPENLBSMO-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001691146026 1158932501 /nfs/dbraw/zinc/93/25/01/1158932501.db2.gz LMPZRBPENLBSMO-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268716953 1160008288 /nfs/dbraw/zinc/00/82/88/1160008288.db2.gz OJYREOFSOKTBGD-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001483260985 1160885369 /nfs/dbraw/zinc/88/53/69/1160885369.db2.gz RNLDUPVUBDLZRK-GXTWGEPZSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001483355511 1160911614 /nfs/dbraw/zinc/91/16/14/1160911614.db2.gz DHKFSVFZLAJIBR-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001567334787 1168689303 /nfs/dbraw/zinc/68/93/03/1168689303.db2.gz ATOVIPYSILFBTQ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001567334787 1168689306 /nfs/dbraw/zinc/68/93/06/1168689306.db2.gz ATOVIPYSILFBTQ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001567334787 1168689307 /nfs/dbraw/zinc/68/93/07/1168689307.db2.gz ATOVIPYSILFBTQ-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](CCNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001567711437 1168929389 /nfs/dbraw/zinc/92/93/89/1168929389.db2.gz BIGCJCJRXWXVCY-HNNXBMFYSA-N 2 1 291.439 1.487 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001568453540 1169296492 /nfs/dbraw/zinc/29/64/92/1169296492.db2.gz UJBBPVHGYJNJHS-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001569402934 1169859915 /nfs/dbraw/zinc/85/99/15/1169859915.db2.gz BELWWPQBCNWYNL-UHFFFAOYSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001656225199 1171795456 /nfs/dbraw/zinc/79/54/56/1171795456.db2.gz DMLXICOOCFNRPZ-HDJSIYSDSA-N 2 1 290.411 1.677 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN(C(=O)CCc2cnc[nH]2)C1 ZINC001661787576 1172447589 /nfs/dbraw/zinc/44/75/89/1172447589.db2.gz BTZGTQCLEPZNKD-CYBMUJFWSA-N 2 1 276.384 1.357 10 30 CDEEMP C=CC[NH2+][C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001662293438 1172522227 /nfs/dbraw/zinc/52/22/27/1172522227.db2.gz RCYWBEUOJIYDND-CQSZACIVSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001672901962 1173808237 /nfs/dbraw/zinc/80/82/37/1173808237.db2.gz OCVMQTFHBGCYDS-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)C[N@H+](CC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001689943846 1175316877 /nfs/dbraw/zinc/31/68/77/1175316877.db2.gz AIYYJLCQTXFCAL-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)Cn1c[nH+]cc1C ZINC001689943846 1175316883 /nfs/dbraw/zinc/31/68/83/1175316883.db2.gz AIYYJLCQTXFCAL-UHFFFAOYSA-N 2 1 278.400 1.596 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001690092941 1175373469 /nfs/dbraw/zinc/37/34/69/1175373469.db2.gz CNQLIBBFBXMFJR-UONOGXRCSA-N 2 1 285.407 1.433 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001690164689 1175391571 /nfs/dbraw/zinc/39/15/71/1175391571.db2.gz LHRUOZCBWBDOLZ-JKSUJKDBSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001690366840 1175451930 /nfs/dbraw/zinc/45/19/30/1175451930.db2.gz RFPQOXJWHCGVKR-OKILXGFUSA-N 2 1 276.384 1.395 10 30 CDEEMP C=C(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001690455976 1175475368 /nfs/dbraw/zinc/47/53/68/1175475368.db2.gz ZUGAVSVLSQJWSY-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001690501095 1175482444 /nfs/dbraw/zinc/48/24/44/1175482444.db2.gz GVLQEMBQHMDVLX-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001690584616 1175511913 /nfs/dbraw/zinc/51/19/13/1175511913.db2.gz PQJHZXJMNBVMEJ-ZBFHGGJFSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001690811519 1175579321 /nfs/dbraw/zinc/57/93/21/1175579321.db2.gz TXCMIJZRVLGVJO-CABCVRRESA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001691972209 1175659589 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CDEEMP C=CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001716727463 1180384433 /nfs/dbraw/zinc/38/44/33/1180384433.db2.gz DBQRGEJNXVQGRJ-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001716879912 1180451785 /nfs/dbraw/zinc/45/17/85/1180451785.db2.gz BBOGYQJVDCOPGZ-NVXWUHKLSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001717205542 1180574002 /nfs/dbraw/zinc/57/40/02/1180574002.db2.gz MOXVCHGZXSQLFH-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001717205542 1180573997 /nfs/dbraw/zinc/57/39/97/1180573997.db2.gz MOXVCHGZXSQLFH-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001717516704 1180719758 /nfs/dbraw/zinc/71/97/58/1180719758.db2.gz OCBVJWFCXOTONO-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001717528494 1180722636 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CC#CC[NH+]1CC[C@H]2CN(C(=O)C[N@H+](C)CCC)CC[C@@H]21 ZINC001272227909 909313239 /nfs/dbraw/zinc/31/32/39/909313239.db2.gz XBEDDRCSHFIVTI-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001272227909 909313253 /nfs/dbraw/zinc/31/32/53/909313253.db2.gz XBEDDRCSHFIVTI-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001272227909 909313270 /nfs/dbraw/zinc/31/32/70/909313270.db2.gz XBEDDRCSHFIVTI-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCOCC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354688 910966944 /nfs/dbraw/zinc/96/69/44/910966944.db2.gz YMJANDULBKFIAI-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483354688 910966960 /nfs/dbraw/zinc/96/69/60/910966960.db2.gz YMJANDULBKFIAI-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483354688 910966978 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C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001329522497 940204443 /nfs/dbraw/zinc/20/44/43/940204443.db2.gz HTTCYBWFJGSONL-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001276867535 941661605 /nfs/dbraw/zinc/66/16/05/941661605.db2.gz OVIAXGJXZDCODN-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001277074984 941916037 /nfs/dbraw/zinc/91/60/37/941916037.db2.gz QCKJRKXCCRABTQ-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001277079268 941921675 /nfs/dbraw/zinc/92/16/75/941921675.db2.gz CLQOEENDTCKCKH-KGLIPLIRSA-N 2 1 295.402 1.071 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CC1 ZINC001277079268 941921678 /nfs/dbraw/zinc/92/16/78/941921678.db2.gz CLQOEENDTCKCKH-KGLIPLIRSA-N 2 1 295.402 1.071 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)c2cc(C[NH+](C)C)on2)CC1 ZINC001277101807 941955137 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C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001282392091 942703999 /nfs/dbraw/zinc/70/39/99/942703999.db2.gz VAEOQPQOHXTXBB-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001282639329 942734608 /nfs/dbraw/zinc/73/46/08/942734608.db2.gz OIDXNXHHNJUTRK-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CCO1 ZINC001282928929 942780757 /nfs/dbraw/zinc/78/07/57/942780757.db2.gz MVKYRZNIDDODBW-CABCVRRESA-N 2 1 297.443 1.108 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001284070970 943069677 /nfs/dbraw/zinc/06/96/77/943069677.db2.gz VTKASSJWSVPCOR-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001263815455 943984926 /nfs/dbraw/zinc/98/49/26/943984926.db2.gz YRCRKVGNXUMVMV-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001277924186 944061946 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C=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001265994872 944622845 /nfs/dbraw/zinc/62/28/45/944622845.db2.gz PEWMZQBIBSJAHF-CVEARBPZSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001479859297 971457486 /nfs/dbraw/zinc/45/74/86/971457486.db2.gz CEFWLPPKVVSVOP-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001479859297 971457487 /nfs/dbraw/zinc/45/74/87/971457487.db2.gz CEFWLPPKVVSVOP-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001479859297 971457490 /nfs/dbraw/zinc/45/74/90/971457490.db2.gz CEFWLPPKVVSVOP-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[N@H+](C)CCN(C(=O)[C@@H](CC)[NH+](C)C)C(C)C ZINC001278912439 948210770 /nfs/dbraw/zinc/21/07/70/948210770.db2.gz QMBTVUVFNAKEMM-OAHLLOKOSA-N 2 1 281.444 1.519 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C(=O)CC[NH+](C)C)C(C)C ZINC001278918792 948226077 /nfs/dbraw/zinc/22/60/77/948226077.db2.gz WDJWBBSMWNFFPM-UHFFFAOYSA-N 2 1 269.433 1.683 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001279039695 948633425 /nfs/dbraw/zinc/63/34/25/948633425.db2.gz YCFZHTOEKGZCAG-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001480260659 971651656 /nfs/dbraw/zinc/65/16/56/971651656.db2.gz BEUYAWZMLGIYML-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001569146269 1169689952 /nfs/dbraw/zinc/68/99/52/1169689952.db2.gz BBNQIGGWVCPDNU-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)CC1 ZINC001327147053 954735966 /nfs/dbraw/zinc/73/59/66/954735966.db2.gz LWZLSSLVVJLBGO-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001327286233 954813475 /nfs/dbraw/zinc/81/34/75/954813475.db2.gz YKIWSMOZNLUBSO-UHFFFAOYSA-N 2 1 276.384 1.064 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)[C@@H]1CCC[NH+]1C(C)C 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1.921 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329145852 955717287 /nfs/dbraw/zinc/71/72/87/955717287.db2.gz JYGMJIOWPWNCNF-KBPBESRZSA-N 2 1 290.411 1.478 10 30 CDEEMP C=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001329935368 956188422 /nfs/dbraw/zinc/18/84/22/956188422.db2.gz AIZLBZZNVYZVOH-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1CC ZINC001316736703 956256770 /nfs/dbraw/zinc/25/67/70/956256770.db2.gz OXLDDAMNNFTSKY-UONOGXRCSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@H+]32)C1 ZINC001330665967 956552356 /nfs/dbraw/zinc/55/23/56/956552356.db2.gz BWNQOGILCZBBET-FPCVCCKLSA-N 2 1 289.423 1.121 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330708399 956580858 /nfs/dbraw/zinc/58/08/58/956580858.db2.gz LOTTYIBCCZQNKY-HDJSIYSDSA-N 2 1 267.417 1.387 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001316793407 957025774 /nfs/dbraw/zinc/02/57/74/957025774.db2.gz XAGQPTHHTIQLTB-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H]1C ZINC001316793407 957025780 /nfs/dbraw/zinc/02/57/80/957025780.db2.gz XAGQPTHHTIQLTB-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001316793407 957025789 /nfs/dbraw/zinc/02/57/89/957025789.db2.gz XAGQPTHHTIQLTB-CABCVRRESA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317069590 957243365 /nfs/dbraw/zinc/24/33/65/957243365.db2.gz ROZMIYBFNRSJNX-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@H]1C ZINC001332217115 957480436 /nfs/dbraw/zinc/48/04/36/957480436.db2.gz GJAZOSWHECSGHP-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001332217115 957480439 /nfs/dbraw/zinc/48/04/39/957480439.db2.gz GJAZOSWHECSGHP-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@H]1C ZINC001332217115 957480441 /nfs/dbraw/zinc/48/04/41/957480441.db2.gz GJAZOSWHECSGHP-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C2CCC2)C1 ZINC001318470986 958121192 /nfs/dbraw/zinc/12/11/92/958121192.db2.gz AIPIDJAJSVMUIS-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001318470986 958121205 /nfs/dbraw/zinc/12/12/05/958121205.db2.gz AIPIDJAJSVMUIS-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001318470986 958121220 /nfs/dbraw/zinc/12/12/20/958121220.db2.gz AIPIDJAJSVMUIS-HNNXBMFYSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C2CCN(C(N)=O)CC2)CC1 ZINC001333465245 958356796 /nfs/dbraw/zinc/35/67/96/958356796.db2.gz JPYUNIIROGGOIN-UHFFFAOYSA-N 2 1 280.416 1.160 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319307195 958492463 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CDEEMP C=CC[NH+]1CCC(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001495519594 972526790 /nfs/dbraw/zinc/52/67/90/972526790.db2.gz DZYLKWZTVRFFAB-UHFFFAOYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001441865413 964756799 /nfs/dbraw/zinc/75/67/99/964756799.db2.gz OGXIXHYFSIBWJQ-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479963681 966337838 /nfs/dbraw/zinc/33/78/38/966337838.db2.gz QWCNJHHESIAQML-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001479963681 966337848 /nfs/dbraw/zinc/33/78/48/966337848.db2.gz QWCNJHHESIAQML-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001569565913 1169926325 /nfs/dbraw/zinc/92/63/25/1169926325.db2.gz HCCJBKOKYUYFME-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001495815758 972649502 /nfs/dbraw/zinc/64/95/02/972649502.db2.gz RYANSVALVUINIB-GDBMZVCRSA-N 2 1 289.423 1.817 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1cc[nH+]c1C ZINC001496297089 972878790 /nfs/dbraw/zinc/87/87/90/972878790.db2.gz SZIOCPSCQSPQDF-OAHLLOKOSA-N 2 1 290.411 1.335 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001496532415 972957906 /nfs/dbraw/zinc/95/79/06/972957906.db2.gz AGGYYCVRXXUCFA-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001496603483 972984519 /nfs/dbraw/zinc/98/45/19/972984519.db2.gz SGORHQJWTSABSQ-UONOGXRCSA-N 2 1 267.417 1.245 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001372675400 973072736 /nfs/dbraw/zinc/07/27/36/973072736.db2.gz ZZBYOKPJQMRJMT-QWHCGFSZSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001372675400 973072743 /nfs/dbraw/zinc/07/27/43/973072743.db2.gz ZZBYOKPJQMRJMT-QWHCGFSZSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001500549422 974449246 /nfs/dbraw/zinc/44/92/46/974449246.db2.gz ANQFGKNCVCPKFB-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500549422 974449250 /nfs/dbraw/zinc/44/92/50/974449250.db2.gz ANQFGKNCVCPKFB-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001500549422 974449253 /nfs/dbraw/zinc/44/92/53/974449253.db2.gz ANQFGKNCVCPKFB-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505996392 975077055 /nfs/dbraw/zinc/07/70/55/975077055.db2.gz FVRWGDPFLGQSJA-ZIAGYGMSSA-N 2 1 267.417 1.032 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001507029668 975299912 /nfs/dbraw/zinc/29/99/12/975299912.db2.gz XNTRRQRFKNUIJU-ZBFHGGJFSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001507350945 975427898 /nfs/dbraw/zinc/42/78/98/975427898.db2.gz QXGALSUZUKOFTM-UKRRQHHQSA-N 2 1 265.401 1.237 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001507964236 975569930 /nfs/dbraw/zinc/56/99/30/975569930.db2.gz ZCXUNZLADOXVPE-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001674154539 1173920871 /nfs/dbraw/zinc/92/08/71/1173920871.db2.gz LZQYKLIVEUKVBK-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154539 1173920877 /nfs/dbraw/zinc/92/08/77/1173920877.db2.gz LZQYKLIVEUKVBK-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154539 1173920883 /nfs/dbraw/zinc/92/08/83/1173920883.db2.gz LZQYKLIVEUKVBK-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001570530695 1170181410 /nfs/dbraw/zinc/18/14/10/1170181410.db2.gz PDFUGBIMQARPIX-QLFBSQMISA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530695 1170181412 /nfs/dbraw/zinc/18/14/12/1170181412.db2.gz PDFUGBIMQARPIX-QLFBSQMISA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001570530695 1170181413 /nfs/dbraw/zinc/18/14/13/1170181413.db2.gz PDFUGBIMQARPIX-QLFBSQMISA-N 2 1 279.428 1.435 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001570637251 1170218499 /nfs/dbraw/zinc/21/84/99/1170218499.db2.gz SSQZDOHNRMZZNR-KGLIPLIRSA-N 2 1 290.411 1.513 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001570719701 1170252169 /nfs/dbraw/zinc/25/21/69/1170252169.db2.gz CTQXJTJJYOMCIF-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001570719701 1170252174 /nfs/dbraw/zinc/25/21/74/1170252174.db2.gz CTQXJTJJYOMCIF-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001570719701 1170252176 /nfs/dbraw/zinc/25/21/76/1170252176.db2.gz CTQXJTJJYOMCIF-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001571503794 1170456470 /nfs/dbraw/zinc/45/64/70/1170456470.db2.gz WCKVDZJOFDYGBT-OFQRWUPVSA-N 2 1 279.428 1.626 10 30 CDEEMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1C#N ZINC000087833398 361863518 /nfs/dbraw/zinc/86/35/18/361863518.db2.gz NKXLEUYXENWBTJ-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1C#N ZINC000087833398 361863525 /nfs/dbraw/zinc/86/35/25/361863525.db2.gz NKXLEUYXENWBTJ-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1C#N ZINC000087833398 361863530 /nfs/dbraw/zinc/86/35/30/361863530.db2.gz NKXLEUYXENWBTJ-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1C#N ZINC000087833398 361863534 /nfs/dbraw/zinc/86/35/34/361863534.db2.gz NKXLEUYXENWBTJ-AWEZNQCLSA-N 2 1 273.380 1.950 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625700773 342194087 /nfs/dbraw/zinc/19/40/87/342194087.db2.gz LRYVDYBSYNNZKE-CQSZACIVSA-N 2 1 291.439 1.627 10 30 CDEEMP C=CC[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625700772 342194124 /nfs/dbraw/zinc/19/41/24/342194124.db2.gz LRYVDYBSYNNZKE-AWEZNQCLSA-N 2 1 291.439 1.627 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001660190824 1172173303 /nfs/dbraw/zinc/17/33/03/1172173303.db2.gz UQSDKRJRMLNZJG-UHFFFAOYSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CCC[C@@H](O)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000305067429 370839630 /nfs/dbraw/zinc/83/96/30/370839630.db2.gz IFYXMUMBLUOFFI-IAGOWNOFSA-N 2 1 295.471 1.415 10 30 CDEEMP C#C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001665359930 1172985042 /nfs/dbraw/zinc/98/50/42/1172985042.db2.gz VUKJBGCAHMUIEB-HYVNUMGLSA-N 2 1 272.392 1.481 10 30 CDEEMP C#C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC001665359930 1172985044 /nfs/dbraw/zinc/98/50/44/1172985044.db2.gz VUKJBGCAHMUIEB-HYVNUMGLSA-N 2 1 272.392 1.481 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCC[NH2+]1 ZINC000662835635 413569875 /nfs/dbraw/zinc/56/98/75/413569875.db2.gz QPDQCJPXFXHTHP-YQQAZPJKSA-N 2 1 291.439 1.818 10 30 CDEEMP CC(C)C[N@@H+](CC(N)=O)Cc1sccc1C#CC[NH3+] ZINC000043684244 175093326 /nfs/dbraw/zinc/09/33/26/175093326.db2.gz VJOMZOOCOPLMPD-UHFFFAOYSA-N 2 1 279.409 1.002 10 30 CDEEMP C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C#CC[NH3+])C1 ZINC000044560314 175204407 /nfs/dbraw/zinc/20/44/07/175204407.db2.gz VPDNOELEDHJQEM-CQSZACIVSA-N 2 1 285.391 1.068 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001665964244 1173093740 /nfs/dbraw/zinc/09/37/40/1173093740.db2.gz QWPVPLWRCQUXNH-ZDUSSCGKSA-N 2 1 265.401 1.143 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001667584451 1173293026 /nfs/dbraw/zinc/29/30/26/1173293026.db2.gz ANSACHJHHGINTR-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001667584451 1173293034 /nfs/dbraw/zinc/29/30/34/1173293034.db2.gz ANSACHJHHGINTR-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@@H]21 ZINC001667693962 1173311827 /nfs/dbraw/zinc/31/18/27/1173311827.db2.gz KQCCZHHVVPHLIS-GJZGRUSLSA-N 2 1 291.439 1.437 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)CC[C@H]21 ZINC001667693963 1173312073 /nfs/dbraw/zinc/31/20/73/1173312073.db2.gz KQCCZHHVVPHLIS-HUUCEWRRSA-N 2 1 291.439 1.437 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001668435923 1173413603 /nfs/dbraw/zinc/41/36/03/1173413603.db2.gz ZMTMRDCSCIABPJ-CHWSQXEVSA-N 2 1 287.835 1.517 10 30 CDEEMP C=CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001673021356 1173817272 /nfs/dbraw/zinc/81/72/72/1173817272.db2.gz SUNSVTMXUBIZTK-UHFFFAOYSA-N 2 1 279.428 1.439 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001674028761 1173908055 /nfs/dbraw/zinc/90/80/55/1173908055.db2.gz KJLLVZCSNGNFSE-LSDHHAIUSA-N 2 1 293.455 1.423 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001690595818 1175516728 /nfs/dbraw/zinc/51/67/28/1175516728.db2.gz GNYRMWBNBDGDTE-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262477967 330016375 /nfs/dbraw/zinc/01/63/75/330016375.db2.gz QPOOWELWYHQNTM-UONOGXRCSA-N 2 1 282.432 1.142 10 30 CDEEMP C[NH+]=C(NCC1(O)CCC1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262780147 330031086 /nfs/dbraw/zinc/03/10/86/330031086.db2.gz KSKUGINAGYTPNE-CYBMUJFWSA-N 2 1 294.443 1.083 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220652 1159186137 /nfs/dbraw/zinc/18/61/37/1159186137.db2.gz ASZVGMVBWXYNAY-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001267220652 1159186140 /nfs/dbraw/zinc/18/61/40/1159186140.db2.gz ASZVGMVBWXYNAY-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001267220652 1159186145 /nfs/dbraw/zinc/18/61/45/1159186145.db2.gz ASZVGMVBWXYNAY-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001267220652 1159186151 /nfs/dbraw/zinc/18/61/51/1159186151.db2.gz ASZVGMVBWXYNAY-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C=C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000489442160 332052591 /nfs/dbraw/zinc/05/25/91/332052591.db2.gz SEULVTAJAQNCOL-OAHLLOKOSA-N 2 1 291.439 1.770 10 30 CDEEMP C=C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000489442160 332052593 /nfs/dbraw/zinc/05/25/93/332052593.db2.gz SEULVTAJAQNCOL-OAHLLOKOSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001699485079 1176441137 /nfs/dbraw/zinc/44/11/37/1176441137.db2.gz CDTABGPIIKUFNS-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001700484214 1176975324 /nfs/dbraw/zinc/97/53/24/1176975324.db2.gz YMCYXWBBFXGRIY-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700484214 1176975331 /nfs/dbraw/zinc/97/53/31/1176975331.db2.gz YMCYXWBBFXGRIY-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700484214 1176975335 /nfs/dbraw/zinc/97/53/35/1176975335.db2.gz YMCYXWBBFXGRIY-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001269831989 1160072127 /nfs/dbraw/zinc/07/21/27/1160072127.db2.gz MHRDVFZKRCAOPN-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001269831989 1160072133 /nfs/dbraw/zinc/07/21/33/1160072133.db2.gz MHRDVFZKRCAOPN-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001483345977 1160909810 /nfs/dbraw/zinc/90/98/10/1160909810.db2.gz RLIXWTIKPXVWAI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001483345977 1160909819 /nfs/dbraw/zinc/90/98/19/1160909819.db2.gz RLIXWTIKPXVWAI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1CCC ZINC001483345977 1160909823 /nfs/dbraw/zinc/90/98/23/1160909823.db2.gz RLIXWTIKPXVWAI-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)CC1CC1 ZINC000049609428 522905196 /nfs/dbraw/zinc/90/51/96/522905196.db2.gz KXCNFQHETGCQLV-UHFFFAOYSA-N 2 1 258.365 1.717 10 30 CDEEMP COc1ccc(C[N@H+]2CCCC[C@H]2CO)cc1C#CC[NH3+] ZINC000049609784 524026694 /nfs/dbraw/zinc/02/66/94/524026694.db2.gz NXAFKHWBAGNTIH-INIZCTEOSA-N 2 1 288.391 1.352 10 30 CDEEMP C[C@@H]1CCC[N@H+]1CCOc1ccc(C#CC[NH3+])cc1 ZINC000049608278 524260348 /nfs/dbraw/zinc/26/03/48/524260348.db2.gz GZQOLOFEVLREEC-CQSZACIVSA-N 2 1 258.365 1.860 10 30 CDEEMP [NH3+]CC#Cc1cc(C[N@H+]2CCC[C@H]2CCCO)ccc1F ZINC000052763120 527146902 /nfs/dbraw/zinc/14/69/02/527146902.db2.gz BPDNIXAQJILPPI-INIZCTEOSA-N 2 1 290.382 1.873 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@H](CO)C2)c(F)c1 ZINC000049608330 527148928 /nfs/dbraw/zinc/14/89/28/527148928.db2.gz WULWEENSFOTXMZ-AWEZNQCLSA-N 2 1 276.355 1.340 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001688946284 1175073974 /nfs/dbraw/zinc/07/39/74/1175073974.db2.gz VYJMKKMYSDDKBZ-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001689337989 1175148201 /nfs/dbraw/zinc/14/82/01/1175148201.db2.gz AGBNYCJHBQSPEX-CABCVRRESA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000909412877 619103904 /nfs/dbraw/zinc/10/39/04/619103904.db2.gz XFNXPPWVWBEZIM-MRXNPFEDSA-N 2 1 287.407 1.667 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000903453608 626001288 /nfs/dbraw/zinc/00/12/88/626001288.db2.gz DKWADOKWEUNSAT-KRWDZBQOSA-N 2 1 298.434 1.655 10 30 CDEEMP C=CC[C@@H]1CCC[N@@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903934048 626153390 /nfs/dbraw/zinc/15/33/90/626153390.db2.gz ZMTXWNFEMMEYKY-CABCVRRESA-N 2 1 289.427 1.991 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001691128429 1158924201 /nfs/dbraw/zinc/92/42/01/1158924201.db2.gz IFVSLGSUYBHMQJ-OKILXGFUSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691392049 1159050742 /nfs/dbraw/zinc/05/07/42/1159050742.db2.gz IUAKZABAQPFJNE-AWEZNQCLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691392049 1159050750 /nfs/dbraw/zinc/05/07/50/1159050750.db2.gz IUAKZABAQPFJNE-AWEZNQCLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725173819 1159178707 /nfs/dbraw/zinc/17/87/07/1159178707.db2.gz HNANOEFOVJVQKT-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001725173819 1159178709 /nfs/dbraw/zinc/17/87/09/1159178709.db2.gz HNANOEFOVJVQKT-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001269172577 1160039583 /nfs/dbraw/zinc/03/95/83/1160039583.db2.gz RLVXSSQVCKLOQX-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CCC ZINC001270292965 1160100802 /nfs/dbraw/zinc/10/08/02/1160100802.db2.gz DIIJTSAUKMVFKX-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001271326449 1160321608 /nfs/dbraw/zinc/32/16/08/1160321608.db2.gz OWRAMGATBYQDRG-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568329247 1168108056 /nfs/dbraw/zinc/10/80/56/1168108056.db2.gz UXGFRQQKDFZRCK-RBSFLKMASA-N 2 1 281.444 1.633 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001567107122 1168564701 /nfs/dbraw/zinc/56/47/01/1168564701.db2.gz OGFRXXAABHRYHS-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001567337510 1168689711 /nfs/dbraw/zinc/68/97/11/1168689711.db2.gz NCXYIMAPLJZTKY-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001567337510 1168689718 /nfs/dbraw/zinc/68/97/18/1168689718.db2.gz NCXYIMAPLJZTKY-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001567337510 1168689724 /nfs/dbraw/zinc/68/97/24/1168689724.db2.gz NCXYIMAPLJZTKY-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001569305954 1169758011 /nfs/dbraw/zinc/75/80/11/1169758011.db2.gz DPPBBVNTTVKLML-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001569448237 1169883701 /nfs/dbraw/zinc/88/37/01/1169883701.db2.gz LYVMMIHNFWUVLU-CVEARBPZSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001569448237 1169883707 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CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001665996924 1173099334 /nfs/dbraw/zinc/09/93/34/1173099334.db2.gz ZPHCSSJTERREFQ-NVXWUHKLSA-N 2 1 293.455 1.920 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC=C)C(C)C ZINC001667470366 1173272363 /nfs/dbraw/zinc/27/23/63/1173272363.db2.gz ZWFZVTFNMJZGEV-CVEARBPZSA-N 2 1 291.439 1.391 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC=C)C(C)C ZINC001667470366 1173272364 /nfs/dbraw/zinc/27/23/64/1173272364.db2.gz ZWFZVTFNMJZGEV-CVEARBPZSA-N 2 1 291.439 1.391 10 30 CDEEMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC[NH+](CC)CC1 ZINC001671477285 1173683928 /nfs/dbraw/zinc/68/39/28/1173683928.db2.gz KJJZVOAPOCCPIY-GDBMZVCRSA-N 2 1 291.439 1.273 10 30 CDEEMP C=C(C)C[NH+]1CC(CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001692335332 1175739112 /nfs/dbraw/zinc/73/91/12/1175739112.db2.gz JBHPIYZBDKSETQ-UHFFFAOYSA-N 2 1 281.444 1.588 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001692376886 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279.428 1.180 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001713025021 1178312342 /nfs/dbraw/zinc/31/23/42/1178312342.db2.gz PWNNARQKHCLBIZ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C1CC1 ZINC001713117004 1178377504 /nfs/dbraw/zinc/37/75/04/1178377504.db2.gz NUPMWLJPLJRNHX-JKSUJKDBSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713131912 1178387750 /nfs/dbraw/zinc/38/77/50/1178387750.db2.gz OLQMSNDHRLVSNJ-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)[C@H]1CCCC[NH+]1C ZINC001713547630 1178638412 /nfs/dbraw/zinc/63/84/12/1178638412.db2.gz DUMBWLRYCDEGJH-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001713547630 1178638417 /nfs/dbraw/zinc/63/84/17/1178638417.db2.gz DUMBWLRYCDEGJH-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001713547630 1178638422 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C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001717374478 1180636316 /nfs/dbraw/zinc/63/63/16/1180636316.db2.gz OSGUCTCKPFJRFK-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001717374478 1180636328 /nfs/dbraw/zinc/63/63/28/1180636328.db2.gz OSGUCTCKPFJRFK-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001717622558 1180760584 /nfs/dbraw/zinc/76/05/84/1180760584.db2.gz IEQZYQJUTGNVJC-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[NH2+][C@H](C)CN(C)C(=O)CCCn1cc[nH+]c1C ZINC001717746842 1180826022 /nfs/dbraw/zinc/82/60/22/1180826022.db2.gz AHKFEGOMRUXWPP-CQSZACIVSA-N 2 1 290.411 1.432 10 30 CDEEMP CC#CC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001724269547 1181659342 /nfs/dbraw/zinc/65/93/42/1181659342.db2.gz YYGDAWFRACTRCN-INIZCTEOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001724539216 1181692226 /nfs/dbraw/zinc/69/22/26/1181692226.db2.gz JVRJZLSUSKCMET-CABCVRRESA-N 2 1 288.395 1.041 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001724586381 1181699233 /nfs/dbraw/zinc/69/92/33/1181699233.db2.gz GIIWHKLKRZCNIS-CABCVRRESA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001724659653 1181716102 /nfs/dbraw/zinc/71/61/02/1181716102.db2.gz WLGWCJCABMLRFB-CABCVRRESA-N 2 1 289.423 1.027 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cn1ccnc1C ZINC001724860381 1181779951 /nfs/dbraw/zinc/77/99/51/1181779951.db2.gz NPVDFRLXBGIKSY-UHFFFAOYSA-N 2 1 292.427 1.938 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001724860381 1181779956 /nfs/dbraw/zinc/77/99/56/1181779956.db2.gz NPVDFRLXBGIKSY-UHFFFAOYSA-N 2 1 292.427 1.938 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001724860381 1181779962 /nfs/dbraw/zinc/77/99/62/1181779962.db2.gz NPVDFRLXBGIKSY-UHFFFAOYSA-N 2 1 292.427 1.938 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725128429 1181876415 /nfs/dbraw/zinc/87/64/15/1181876415.db2.gz MKKMHAOHCNDDDE-LSDHHAIUSA-N 2 1 287.407 1.234 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725128429 1181876419 /nfs/dbraw/zinc/87/64/19/1181876419.db2.gz MKKMHAOHCNDDDE-LSDHHAIUSA-N 2 1 287.407 1.234 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001725167798 1181900453 /nfs/dbraw/zinc/90/04/53/1181900453.db2.gz ZTJKFLSRBBSMCB-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001725167798 1181900458 /nfs/dbraw/zinc/90/04/58/1181900458.db2.gz ZTJKFLSRBBSMCB-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1CCC ZINC001725167798 1181900464 /nfs/dbraw/zinc/90/04/64/1181900464.db2.gz ZTJKFLSRBBSMCB-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001725197714 1181920076 /nfs/dbraw/zinc/92/00/76/1181920076.db2.gz VDGQUAUUZPGWFW-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001725286275 1181950970 /nfs/dbraw/zinc/95/09/70/1181950970.db2.gz FPBAVMHDFRSQMT-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725286275 1181950977 /nfs/dbraw/zinc/95/09/77/1181950977.db2.gz FPBAVMHDFRSQMT-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725286275 1181950981 /nfs/dbraw/zinc/95/09/81/1181950981.db2.gz FPBAVMHDFRSQMT-OAHLLOKOSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001725363447 1181975071 /nfs/dbraw/zinc/97/50/71/1181975071.db2.gz DPRJHMQPEONEJH-VGWMRTNUSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731324245 1182320072 /nfs/dbraw/zinc/32/00/72/1182320072.db2.gz VVXZHMIXRDJRSU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731324245 1182320076 /nfs/dbraw/zinc/32/00/76/1182320076.db2.gz VVXZHMIXRDJRSU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001731324245 1182320079 /nfs/dbraw/zinc/32/00/79/1182320079.db2.gz VVXZHMIXRDJRSU-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001731394126 1182357014 /nfs/dbraw/zinc/35/70/14/1182357014.db2.gz WPVZHXFXWBJUSU-ZIAGYGMSSA-N 2 1 265.401 1.141 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001731694195 1182520676 /nfs/dbraw/zinc/52/06/76/1182520676.db2.gz WUVOIMFGUIMVGU-KGLIPLIRSA-N 2 1 279.428 1.674 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001732443954 1182970162 /nfs/dbraw/zinc/97/01/62/1182970162.db2.gz VJHOBSMXSMFNBN-KKUMJFAQSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001732524426 1182995788 /nfs/dbraw/zinc/99/57/88/1182995788.db2.gz BUEYWTCIJFUHKL-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)C ZINC001732559503 1183010108 /nfs/dbraw/zinc/01/01/08/1183010108.db2.gz AEPRDQFEXVOYCH-HOTGVXAUSA-N 2 1 293.455 1.470 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001732908303 1183179798 /nfs/dbraw/zinc/17/97/98/1183179798.db2.gz CRNZFDYAEGKXFI-MSNYOWOLSA-N 2 1 289.423 1.289 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001732955442 1183202817 /nfs/dbraw/zinc/20/28/17/1183202817.db2.gz MSOQQHGCDMDATP-QLFBSQMISA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001733170387 1183314400 /nfs/dbraw/zinc/31/44/00/1183314400.db2.gz HFXZLRFVUHBKJX-ARFHVFGLSA-N 2 1 293.455 1.777 10 30 CDEEMP C=CCC[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001734020723 1183616452 /nfs/dbraw/zinc/61/64/52/1183616452.db2.gz TYWOUKOXYCRGTJ-HNNXBMFYSA-N 2 1 295.471 1.979 10 30 CDEEMP CC#CC[NH+](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001734272462 1183709880 /nfs/dbraw/zinc/70/98/80/1183709880.db2.gz QWDLKINRYYFKSP-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001734272462 1183709882 /nfs/dbraw/zinc/70/98/82/1183709882.db2.gz QWDLKINRYYFKSP-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001734272462 1183709884 /nfs/dbraw/zinc/70/98/84/1183709884.db2.gz QWDLKINRYYFKSP-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001734329991 1183735825 /nfs/dbraw/zinc/73/58/25/1183735825.db2.gz BLNNHGODGQDNHQ-GFCCVEGCSA-N 2 1 294.399 1.362 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001734451306 1183781737 /nfs/dbraw/zinc/78/17/37/1183781737.db2.gz WPJWCOLVZLSUBJ-BZUAXINKSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723665592 759002420 /nfs/dbraw/zinc/00/24/20/759002420.db2.gz ZGVOAPBTSKRCJS-HRCADAONSA-N 2 1 264.413 1.736 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1 ZINC000723665592 759002430 /nfs/dbraw/zinc/00/24/30/759002430.db2.gz ZGVOAPBTSKRCJS-HRCADAONSA-N 2 1 264.413 1.736 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC000876777288 768981784 /nfs/dbraw/zinc/98/17/84/768981784.db2.gz PKVRTUPQUUQQQE-CHWSQXEVSA-N 2 1 287.835 1.647 10 30 CDEEMP CC[C@](C)(O)CNC(N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C)=[NH+]C ZINC000261946950 769644357 /nfs/dbraw/zinc/64/43/57/769644357.db2.gz GDLQERYRFLXWLN-GUTXKFCHSA-N 2 1 284.448 1.041 10 30 CDEEMP C#CCCCCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000878993947 770853494 /nfs/dbraw/zinc/85/34/94/770853494.db2.gz QQMDYABDYZJBKK-INIZCTEOSA-N 2 1 264.413 1.711 10 30 CDEEMP C#CC[N@@H+](C)CCCN[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000926489876 771385497 /nfs/dbraw/zinc/38/54/97/771385497.db2.gz LFHZNADMMUBIQU-HOTGVXAUSA-N 2 1 263.429 1.548 10 30 CDEEMP C#CC[NH+](C)CCCN[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000926489876 771385502 /nfs/dbraw/zinc/38/55/02/771385502.db2.gz LFHZNADMMUBIQU-HOTGVXAUSA-N 2 1 263.429 1.548 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001649451087 1165891467 /nfs/dbraw/zinc/89/14/67/1165891467.db2.gz AWGLVGVDLXIRAC-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001649451087 1165891469 /nfs/dbraw/zinc/89/14/69/1165891469.db2.gz AWGLVGVDLXIRAC-UONOGXRCSA-N 2 1 292.427 1.983 10 30 CDEEMP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000829815012 773160847 /nfs/dbraw/zinc/16/08/47/773160847.db2.gz DNZJHMINWGLNMV-ZFWWWQNUSA-N 2 1 250.386 1.177 10 30 CDEEMP C#CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000829815012 773160858 /nfs/dbraw/zinc/16/08/58/773160858.db2.gz DNZJHMINWGLNMV-ZFWWWQNUSA-N 2 1 250.386 1.177 10 30 CDEEMP C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000829815012 773160868 /nfs/dbraw/zinc/16/08/68/773160868.db2.gz DNZJHMINWGLNMV-ZFWWWQNUSA-N 2 1 250.386 1.177 10 30 CDEEMP C#CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000829815012 773160878 /nfs/dbraw/zinc/16/08/78/773160878.db2.gz DNZJHMINWGLNMV-ZFWWWQNUSA-N 2 1 250.386 1.177 10 30 CDEEMP CCC[N@@H+](C)CC(C)(C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000854014496 773639597 /nfs/dbraw/zinc/63/95/97/773639597.db2.gz XFMBOGHRSLHMRX-UHFFFAOYSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[C@@H](CCOC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000858335124 773697073 /nfs/dbraw/zinc/69/70/73/773697073.db2.gz VXMAXGQFTIBHHW-KBPBESRZSA-N 2 1 252.402 1.877 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001275038928 1166655388 /nfs/dbraw/zinc/65/53/88/1166655388.db2.gz OJYREOFSOKTBGD-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566563666 1167984418 /nfs/dbraw/zinc/98/44/18/1167984418.db2.gz CTMSABZMCQTGJR-UHFFFAOYSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567914163 1168072418 /nfs/dbraw/zinc/07/24/18/1168072418.db2.gz AADZTNNCRAUCOM-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567914163 1168072420 /nfs/dbraw/zinc/07/24/20/1168072420.db2.gz AADZTNNCRAUCOM-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001567914163 1168072426 /nfs/dbraw/zinc/07/24/26/1168072426.db2.gz AADZTNNCRAUCOM-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566564184 1168338188 /nfs/dbraw/zinc/33/81/88/1168338188.db2.gz WXZUCSHCYXFQDC-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566803790 1168428675 /nfs/dbraw/zinc/42/86/75/1168428675.db2.gz NHYUWTWNHLUNBS-HDJSIYSDSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001483693070 912855253 /nfs/dbraw/zinc/85/52/53/912855253.db2.gz KHKJLZCOYHRUJB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001483693070 912855278 /nfs/dbraw/zinc/85/52/78/912855278.db2.gz KHKJLZCOYHRUJB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)CCC ZINC001483693070 912855295 /nfs/dbraw/zinc/85/52/95/912855295.db2.gz KHKJLZCOYHRUJB-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001567235676 1168632558 /nfs/dbraw/zinc/63/25/58/1168632558.db2.gz OTYWVVHVOVQRJD-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001567237817 1168634572 /nfs/dbraw/zinc/63/45/72/1168634572.db2.gz FLCKTDRGSBVELX-WBVHZDCISA-N 2 1 293.455 1.923 10 30 CDEEMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001647446450 1168700425 /nfs/dbraw/zinc/70/04/25/1168700425.db2.gz CFJMQMWRINVJLD-DJIMGWMZSA-N 2 1 287.407 1.761 10 30 CDEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC#N ZINC001647446450 1168700436 /nfs/dbraw/zinc/70/04/36/1168700436.db2.gz CFJMQMWRINVJLD-DJIMGWMZSA-N 2 1 287.407 1.761 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567374072 1168717244 /nfs/dbraw/zinc/71/72/44/1168717244.db2.gz QFRPIYCPMBHHRX-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001567379735 1168719307 /nfs/dbraw/zinc/71/93/07/1168719307.db2.gz BDDJULNTFMYVRT-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266346944 894482353 /nfs/dbraw/zinc/48/23/53/894482353.db2.gz JRYZOCNXIYGLRB-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001266346944 894482357 /nfs/dbraw/zinc/48/23/57/894482357.db2.gz JRYZOCNXIYGLRB-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001266431076 894839813 /nfs/dbraw/zinc/83/98/13/894839813.db2.gz JTDZKJSSSHCASY-OAHLLOKOSA-N 2 1 293.455 1.472 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001266468544 894996337 /nfs/dbraw/zinc/99/63/37/894996337.db2.gz SDFWNDIXUAJJJO-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266468544 894996353 /nfs/dbraw/zinc/99/63/53/894996353.db2.gz SDFWNDIXUAJJJO-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001266468544 894996368 /nfs/dbraw/zinc/99/63/68/894996368.db2.gz SDFWNDIXUAJJJO-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266546833 895304352 /nfs/dbraw/zinc/30/43/52/895304352.db2.gz XUXWQCBNXIRBSQ-LSDHHAIUSA-N 2 1 279.428 1.034 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)C1 ZINC001266693460 895847229 /nfs/dbraw/zinc/84/72/29/895847229.db2.gz ZZAVKVHSICTANJ-FZKCQIBNSA-N 2 1 289.423 1.263 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266857250 896207540 /nfs/dbraw/zinc/20/75/40/896207540.db2.gz KUWADFXNSBRLGK-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266867670 896240055 /nfs/dbraw/zinc/24/00/55/896240055.db2.gz NYDUXUHLNUPSOW-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001266888120 896282024 /nfs/dbraw/zinc/28/20/24/896282024.db2.gz BOHRQTPFXBSMQP-HZPDHXFCSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001267332590 897615228 /nfs/dbraw/zinc/61/52/28/897615228.db2.gz GVFSTQFSBFFLGH-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001267332590 897615231 /nfs/dbraw/zinc/61/52/31/897615231.db2.gz GVFSTQFSBFFLGH-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001267332590 897615236 /nfs/dbraw/zinc/61/52/36/897615236.db2.gz GVFSTQFSBFFLGH-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001567588716 1168876718 /nfs/dbraw/zinc/87/67/18/1168876718.db2.gz SHOTUZLCQOYYGR-MRXNPFEDSA-N 2 1 287.407 1.361 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001267567426 898388274 /nfs/dbraw/zinc/38/82/74/898388274.db2.gz CEKLNTHEYTYBJR-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267567426 898388286 /nfs/dbraw/zinc/38/82/86/898388286.db2.gz CEKLNTHEYTYBJR-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001267567426 898388303 /nfs/dbraw/zinc/38/83/03/898388303.db2.gz CEKLNTHEYTYBJR-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267570643 898427115 /nfs/dbraw/zinc/42/71/15/898427115.db2.gz QWWYPHHRGXUYRC-LSDHHAIUSA-N 2 1 279.428 1.034 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001481018826 898506323 /nfs/dbraw/zinc/50/63/23/898506323.db2.gz SHNFVPFAUUYEAM-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267584197 898556262 /nfs/dbraw/zinc/55/62/62/898556262.db2.gz YPFHLRWMYPSSCL-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267584197 898556269 /nfs/dbraw/zinc/55/62/69/898556269.db2.gz YPFHLRWMYPSSCL-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267584197 898556276 /nfs/dbraw/zinc/55/62/76/898556276.db2.gz YPFHLRWMYPSSCL-OWCLPIDISA-N 2 1 293.455 1.683 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1ccnc1 ZINC001481073335 898736729 /nfs/dbraw/zinc/73/67/29/898736729.db2.gz KJAZUGQLMFZPOU-CQSZACIVSA-N 2 1 276.384 1.430 10 30 CDEEMP CC#CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001267604167 898787677 /nfs/dbraw/zinc/78/76/77/898787677.db2.gz MZKWZWFDFGYKHV-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001267604167 898787688 /nfs/dbraw/zinc/78/76/88/898787688.db2.gz MZKWZWFDFGYKHV-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP CC#CC[NH+](C)CC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001267604167 898787698 /nfs/dbraw/zinc/78/76/98/898787698.db2.gz MZKWZWFDFGYKHV-UHFFFAOYSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001481154938 898991034 /nfs/dbraw/zinc/99/10/34/898991034.db2.gz OSTWGKPDOYQOBS-MRXNPFEDSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001267806419 899775276 /nfs/dbraw/zinc/77/52/76/899775276.db2.gz NQMGKOSIPXSUSA-GFCCVEGCSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001481505206 900957718 /nfs/dbraw/zinc/95/77/18/900957718.db2.gz RAVQGHAYCHTWRK-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268255026 901677852 /nfs/dbraw/zinc/67/78/52/901677852.db2.gz LEHRKXHTTDYFCD-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001268522651 902502588 /nfs/dbraw/zinc/50/25/88/902502588.db2.gz MLANCYPFIPSETG-NHQLZKDQSA-N 2 1 279.428 1.697 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268662050 902916849 /nfs/dbraw/zinc/91/68/49/902916849.db2.gz VGTCEDAIZOCMCJ-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)CCCn1ccnc1C ZINC001268750509 903078316 /nfs/dbraw/zinc/07/83/16/903078316.db2.gz MFOYZKUQWSFQIS-CYBMUJFWSA-N 2 1 276.384 1.041 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001268750509 903078327 /nfs/dbraw/zinc/07/83/27/903078327.db2.gz MFOYZKUQWSFQIS-CYBMUJFWSA-N 2 1 276.384 1.041 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001269310847 903684002 /nfs/dbraw/zinc/68/40/02/903684002.db2.gz NWKVNZMVIMDTEH-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(C)C ZINC001269418142 903796048 /nfs/dbraw/zinc/79/60/48/903796048.db2.gz XSDPNJRPHQLXEP-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(C)C ZINC001269418142 903796060 /nfs/dbraw/zinc/79/60/60/903796060.db2.gz XSDPNJRPHQLXEP-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001270336902 904542497 /nfs/dbraw/zinc/54/24/97/904542497.db2.gz RZQUFGCYJBXIAG-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001270776929 905036159 /nfs/dbraw/zinc/03/61/59/905036159.db2.gz IPOHDRJUBUBNED-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001567914209 1169064489 /nfs/dbraw/zinc/06/44/89/1169064489.db2.gz BDRJVYCGHRDJMG-LSDHHAIUSA-N 2 1 299.434 1.775 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C\CC ZINC001483236665 910553472 /nfs/dbraw/zinc/55/34/72/910553472.db2.gz OPEBDLBQRQEFEQ-KQLNYGGHSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C\CC ZINC001483236665 910553481 /nfs/dbraw/zinc/55/34/81/910553481.db2.gz OPEBDLBQRQEFEQ-KQLNYGGHSA-N 2 1 291.439 1.535 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C1CCC1 ZINC001483347363 910946447 /nfs/dbraw/zinc/94/64/47/910946447.db2.gz JDBOSLCXBPULTA-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001483347363 910946464 /nfs/dbraw/zinc/94/64/64/910946464.db2.gz JDBOSLCXBPULTA-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001483347363 910946477 /nfs/dbraw/zinc/94/64/77/910946477.db2.gz JDBOSLCXBPULTA-GFCCVEGCSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C ZINC001483354017 910963257 /nfs/dbraw/zinc/96/32/57/910963257.db2.gz PGKAQJVOSOBREK-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001483354017 910963270 /nfs/dbraw/zinc/96/32/70/910963270.db2.gz PGKAQJVOSOBREK-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001483354017 910963278 /nfs/dbraw/zinc/96/32/78/910963278.db2.gz PGKAQJVOSOBREK-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001483392553 911044904 /nfs/dbraw/zinc/04/49/04/911044904.db2.gz ABDLPZFJWHKJIJ-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001484513769 915838325 /nfs/dbraw/zinc/83/83/25/915838325.db2.gz UHIPJRDIXYAYTQ-KBPBESRZSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001484940234 916300481 /nfs/dbraw/zinc/30/04/81/916300481.db2.gz CDMIZADCMJHGBF-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001485323842 916842286 /nfs/dbraw/zinc/84/22/86/916842286.db2.gz VBZBYMPNDMPPGF-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001485323842 916842293 /nfs/dbraw/zinc/84/22/93/916842293.db2.gz VBZBYMPNDMPPGF-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001485323842 916842301 /nfs/dbraw/zinc/84/23/01/916842301.db2.gz VBZBYMPNDMPPGF-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001568262151 1169205849 /nfs/dbraw/zinc/20/58/49/1169205849.db2.gz CXDJFFQBBPABIP-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568274377 1169216377 /nfs/dbraw/zinc/21/63/77/1169216377.db2.gz UUFREGFCWINTGA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001494119295 920640852 /nfs/dbraw/zinc/64/08/52/920640852.db2.gz JEQHJJWQHBFXGQ-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001494119295 920640861 /nfs/dbraw/zinc/64/08/61/920640861.db2.gz JEQHJJWQHBFXGQ-HUUCEWRRSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001273548011 920645839 /nfs/dbraw/zinc/64/58/39/920645839.db2.gz MOXVCHGZXSQLFH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001273548011 920645844 /nfs/dbraw/zinc/64/58/44/920645844.db2.gz MOXVCHGZXSQLFH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCC[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001273548011 920645848 /nfs/dbraw/zinc/64/58/48/920645848.db2.gz MOXVCHGZXSQLFH-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001486181543 920786475 /nfs/dbraw/zinc/78/64/75/920786475.db2.gz UMOHZQSUIATOPN-CABCVRRESA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](CC)CC)C1 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CDEEMP C=C(C)CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001282444510 942715063 /nfs/dbraw/zinc/71/50/63/942715063.db2.gz SDTYWGVKGABLIQ-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001282444510 942715066 /nfs/dbraw/zinc/71/50/66/942715066.db2.gz SDTYWGVKGABLIQ-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001277597978 943089869 /nfs/dbraw/zinc/08/98/69/943089869.db2.gz NFBZJZQUNVDAGD-IIAWOOMASA-N 2 1 293.455 1.824 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001284148302 943090165 /nfs/dbraw/zinc/09/01/65/943090165.db2.gz IUNPCQAFBNYJHO-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001284148302 943090175 /nfs/dbraw/zinc/09/01/75/943090175.db2.gz IUNPCQAFBNYJHO-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001284148302 943090183 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CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001265909821 944569587 /nfs/dbraw/zinc/56/95/87/944569587.db2.gz GLHKFFWWXRHENY-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265909821 944569590 /nfs/dbraw/zinc/56/95/90/944569590.db2.gz GLHKFFWWXRHENY-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266029450 944643200 /nfs/dbraw/zinc/64/32/00/944643200.db2.gz QSACELYTGKXQED-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568851165 1169517596 /nfs/dbraw/zinc/51/75/96/1169517596.db2.gz YLIMDPPSKQOYSA-LQYUOIDQSA-N 2 1 279.428 1.697 10 30 CDEEMP C#CCC[NH+]1CC[C@](C)(NC(=O)CC[N@H+](C)CCC)C1 ZINC001278437263 948030157 /nfs/dbraw/zinc/03/01/57/948030157.db2.gz BJIYVHONTCASJA-INIZCTEOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001278437263 948030163 /nfs/dbraw/zinc/03/01/63/948030163.db2.gz BJIYVHONTCASJA-INIZCTEOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)CCC)C1 ZINC001278437263 948030169 /nfs/dbraw/zinc/03/01/69/948030169.db2.gz BJIYVHONTCASJA-INIZCTEOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001479909619 971482515 /nfs/dbraw/zinc/48/25/15/971482515.db2.gz HHIXCDMTIRGWKY-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)(C)C ZINC001279033867 948626366 /nfs/dbraw/zinc/62/63/66/948626366.db2.gz GTJPSMNQRHHKLT-ZIAGYGMSSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)(C)C ZINC001279033867 948626370 /nfs/dbraw/zinc/62/63/70/948626370.db2.gz GTJPSMNQRHHKLT-ZIAGYGMSSA-N 2 1 297.443 1.014 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001480026240 971544387 /nfs/dbraw/zinc/54/43/87/971544387.db2.gz CXZDNMDQUMUUAL-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001480061737 971559246 /nfs/dbraw/zinc/55/92/46/971559246.db2.gz LWTAFROJKNDPJG-LSDHHAIUSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001480546243 971777635 /nfs/dbraw/zinc/77/76/35/971777635.db2.gz MUQPRETUSMMAGT-ZDUSSCGKSA-N 2 1 276.384 1.124 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001328662744 955401462 /nfs/dbraw/zinc/40/14/62/955401462.db2.gz WSJKUOPOBIRJJP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001491814309 955480629 /nfs/dbraw/zinc/48/06/29/955480629.db2.gz KHFSDIBBDMISBJ-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)Cn1ccnc1)C(C)C ZINC001493878005 972131608 /nfs/dbraw/zinc/13/16/08/972131608.db2.gz GAUDKLUNNIPFBO-UHFFFAOYSA-N 2 1 278.400 1.676 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001492447742 955895092 /nfs/dbraw/zinc/89/50/92/955895092.db2.gz MRCVDLVMRXUBIH-LBPRGKRZSA-N 2 1 264.373 1.212 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001492447742 955895101 /nfs/dbraw/zinc/89/51/01/955895101.db2.gz MRCVDLVMRXUBIH-LBPRGKRZSA-N 2 1 264.373 1.212 10 30 CDEEMP C=CCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001480742156 957181960 /nfs/dbraw/zinc/18/19/60/957181960.db2.gz GUALJZVURDSQLQ-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001317014071 957202093 /nfs/dbraw/zinc/20/20/93/957202093.db2.gz AGJCMBVMVSETRI-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CC1 ZINC001317023811 957209610 /nfs/dbraw/zinc/20/96/10/957209610.db2.gz FQTIVEMKZWTXQL-HZPDHXFCSA-N 2 1 293.455 1.920 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317156336 957309888 /nfs/dbraw/zinc/30/98/88/957309888.db2.gz VBQUFGJONZXFLK-HRCADAONSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001317200595 957337842 /nfs/dbraw/zinc/33/78/42/957337842.db2.gz RWQUTDMWRAOSDA-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317430428 957467460 /nfs/dbraw/zinc/46/74/60/957467460.db2.gz VBINMEQMZSRPMZ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317508392 957517619 /nfs/dbraw/zinc/51/76/19/957517619.db2.gz NBAIHUYLBKRETQ-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001317533714 957535321 /nfs/dbraw/zinc/53/53/21/957535321.db2.gz WWLFOHYLTZUVHL-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317533714 957535327 /nfs/dbraw/zinc/53/53/27/957535327.db2.gz WWLFOHYLTZUVHL-CVEARBPZSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001317533714 957535332 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C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001494828395 972317988 /nfs/dbraw/zinc/31/79/88/972317988.db2.gz RUQFJNDAAAJODZ-BZUAXINKSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482000 958126616 /nfs/dbraw/zinc/12/66/16/958126616.db2.gz DSGVXNKFTKCJKU-AWEZNQCLSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)CCCC[NH+](C)C)C1 ZINC001318483871 958129148 /nfs/dbraw/zinc/12/91/48/958129148.db2.gz HEHQKTSKQKFLRX-INIZCTEOSA-N 2 1 293.455 1.664 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001318705134 958236263 /nfs/dbraw/zinc/23/62/63/958236263.db2.gz DCFKHNKBFQWLKL-HNNXBMFYSA-N 2 1 276.384 1.252 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001319307196 958490610 /nfs/dbraw/zinc/49/06/10/958490610.db2.gz FKKOXBDHRKKUHR-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001319916979 958784855 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C=CCC[NH+]1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001324029825 961120278 /nfs/dbraw/zinc/12/02/78/961120278.db2.gz FKLXBTLTAGUFIJ-UHFFFAOYSA-N 2 1 253.390 1.045 10 30 CDEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001420493123 962974848 /nfs/dbraw/zinc/97/48/48/962974848.db2.gz KSGMNMCFSSDBLQ-UONOGXRCSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001420493123 962974856 /nfs/dbraw/zinc/97/48/56/962974856.db2.gz KSGMNMCFSSDBLQ-UONOGXRCSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420493123 962974867 /nfs/dbraw/zinc/97/48/67/962974867.db2.gz KSGMNMCFSSDBLQ-UONOGXRCSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001420493123 962974877 /nfs/dbraw/zinc/97/48/77/962974877.db2.gz KSGMNMCFSSDBLQ-UONOGXRCSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC001544078248 967335330 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C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001374271884 973867983 /nfs/dbraw/zinc/86/79/83/973867983.db2.gz QUEXZYIERJYMOH-STQMWFEESA-N 2 1 287.835 1.660 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001499005171 974157438 /nfs/dbraw/zinc/15/74/38/974157438.db2.gz LOBCLDAPTLGLIW-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001501080393 974529595 /nfs/dbraw/zinc/52/95/95/974529595.db2.gz OGFYDGHRIZLSNY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001502371644 974727399 /nfs/dbraw/zinc/72/73/99/974727399.db2.gz SNTGDYJULBLZBB-CQSZACIVSA-N 2 1 269.433 1.539 10 30 CDEEMP C=CC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001506904574 975253415 /nfs/dbraw/zinc/25/34/15/975253415.db2.gz GXNDSTQBGDOOKA-BIQWYFBQSA-N 2 1 279.428 1.530 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001507028623 975299410 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C=CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001570907802 1170305890 /nfs/dbraw/zinc/30/58/90/1170305890.db2.gz OMWOTXMNTGJCRR-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001570907802 1170305898 /nfs/dbraw/zinc/30/58/98/1170305898.db2.gz OMWOTXMNTGJCRR-CYBMUJFWSA-N 2 1 267.417 1.341 10 30 CDEEMP C#CC[N@@H+]1C[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905504 1170315489 /nfs/dbraw/zinc/31/54/89/1170315489.db2.gz UVQFYLWMDAMQIM-GJZGRUSLSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001571044061 1170329972 /nfs/dbraw/zinc/32/99/72/1170329972.db2.gz SOMUDXQLWJPGEI-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594438186 342905819 /nfs/dbraw/zinc/90/58/19/342905819.db2.gz RECYTKGXHSZRRN-MCIONIFRSA-N 2 1 280.416 1.196 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCCC#N ZINC000597942751 343674338 /nfs/dbraw/zinc/67/43/38/343674338.db2.gz MYVLZMNWQNSMOY-ZDUSSCGKSA-N 2 1 268.405 1.068 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCCC#N ZINC000597942751 343674339 /nfs/dbraw/zinc/67/43/39/343674339.db2.gz MYVLZMNWQNSMOY-ZDUSSCGKSA-N 2 1 268.405 1.068 10 30 CDEEMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136872 198177057 /nfs/dbraw/zinc/17/70/57/198177057.db2.gz LYVICXREXUYNCO-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136872 198177063 /nfs/dbraw/zinc/17/70/63/198177063.db2.gz LYVICXREXUYNCO-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136872 198177065 /nfs/dbraw/zinc/17/70/65/198177065.db2.gz LYVICXREXUYNCO-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3cccc(C#N)c3)C2)C1 ZINC000292136872 198177066 /nfs/dbraw/zinc/17/70/66/198177066.db2.gz LYVICXREXUYNCO-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1=O ZINC000420381179 376344446 /nfs/dbraw/zinc/34/44/46/376344446.db2.gz CJKPURPCJVUJBQ-KFWWJZLASA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1=O ZINC000420381179 376344451 /nfs/dbraw/zinc/34/44/51/376344451.db2.gz CJKPURPCJVUJBQ-KFWWJZLASA-N 2 1 277.412 1.237 10 30 CDEEMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338981987 391238410 /nfs/dbraw/zinc/23/84/10/391238410.db2.gz QVLKQBBRURWSPL-IXDOHACOSA-N 2 1 290.455 1.781 10 30 CDEEMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000338981987 391238417 /nfs/dbraw/zinc/23/84/17/391238417.db2.gz QVLKQBBRURWSPL-IXDOHACOSA-N 2 1 290.455 1.781 10 30 CDEEMP C=CC[C@@]1(C(=O)NCC[N@H+](CC)CCC)CCC[NH2+]1 ZINC000662749396 413425138 /nfs/dbraw/zinc/42/51/38/413425138.db2.gz LGQZFKXMPYCGAC-HNNXBMFYSA-N 2 1 267.417 1.533 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001665676834 1173034936 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CC[C@H]1COCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043688936 175096020 /nfs/dbraw/zinc/09/60/20/175096020.db2.gz ONMDVVJBKYIYIC-ZDUSSCGKSA-N 2 1 264.394 1.669 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001669904130 1173626806 /nfs/dbraw/zinc/62/68/06/1173626806.db2.gz GTUVNDLXQCRQEY-AWEZNQCLSA-N 2 1 297.443 1.110 10 30 CDEEMP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261641702 329974223 /nfs/dbraw/zinc/97/42/23/329974223.db2.gz DIIPWHSBMSSESD-UONOGXRCSA-N 2 1 294.443 1.014 10 30 CDEEMP C[NH+]=C(NC[C@]1([NH+](C)C)CCSC1)N[C@@H](C)C(C)C ZINC000262809645 330033331 /nfs/dbraw/zinc/03/33/31/330033331.db2.gz UUHREVJRKYNISE-GXTWGEPZSA-N 2 1 286.489 1.633 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H]1CC12CC2 ZINC000263090477 330043123 /nfs/dbraw/zinc/04/31/23/330043123.db2.gz ISMJAHUSKFYPPM-NEPJUHHUSA-N 2 1 250.390 1.175 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000424294560 330335731 /nfs/dbraw/zinc/33/57/31/330335731.db2.gz 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1.387 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)CCCn1cc[nH+]c1C)C1CC1 ZINC001566725491 1168401517 /nfs/dbraw/zinc/40/15/17/1168401517.db2.gz GISFPKHAZABZJP-HNNXBMFYSA-N 2 1 288.395 1.089 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001566813633 1168431768 /nfs/dbraw/zinc/43/17/68/1168431768.db2.gz JCBZQYMYGYJDDJ-ULQDDVLXSA-N 2 1 299.418 1.549 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001566954079 1168478504 /nfs/dbraw/zinc/47/85/04/1168478504.db2.gz RCMZKRMNPWAUDL-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC=C)C2CC2)CC1 ZINC001567456178 1168775451 /nfs/dbraw/zinc/77/54/51/1168775451.db2.gz RLENFLUFRIIGKT-UHFFFAOYSA-N 2 1 289.423 1.098 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001569319999 1169762812 /nfs/dbraw/zinc/76/28/12/1169762812.db2.gz JQCIBJDBWSLHQS-CQSZACIVSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001569855186 1170018890 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C=CCC[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662729010 1172586749 /nfs/dbraw/zinc/58/67/49/1172586749.db2.gz UVQARDRECWJAAW-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001662791912 1172595792 /nfs/dbraw/zinc/59/57/92/1172595792.db2.gz SSXKOCIYOWLVPX-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001663257725 1172662523 /nfs/dbraw/zinc/66/25/23/1172662523.db2.gz DTUXQRIKFJYGKS-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001663257725 1172662530 /nfs/dbraw/zinc/66/25/30/1172662530.db2.gz DTUXQRIKFJYGKS-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001663257725 1172662539 /nfs/dbraw/zinc/66/25/39/1172662539.db2.gz DTUXQRIKFJYGKS-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001663523161 1172715868 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C#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001483473875 911166409 /nfs/dbraw/zinc/16/64/09/911166409.db2.gz DDDGMPZMKMDHIS-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001483953686 915239522 /nfs/dbraw/zinc/23/95/22/915239522.db2.gz LMWDVEYNRGCZEB-RDJZCZTQSA-N 2 1 291.439 1.629 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001484646984 915990496 /nfs/dbraw/zinc/99/04/96/915990496.db2.gz ZMEBUYVLAYNXRW-CQSZACIVSA-N 2 1 279.428 1.675 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001484725446 916085074 /nfs/dbraw/zinc/08/50/74/916085074.db2.gz ADHGBMVWNZTQOD-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484725446 916085091 /nfs/dbraw/zinc/08/50/91/916085091.db2.gz ADHGBMVWNZTQOD-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)CC1 ZINC001484725446 916085110 /nfs/dbraw/zinc/08/51/10/916085110.db2.gz ADHGBMVWNZTQOD-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001484978299 916352542 /nfs/dbraw/zinc/35/25/42/916352542.db2.gz JKTSWIJUJKWZPG-KGLIPLIRSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CCc1cnc[nH]1 ZINC001485480866 917012582 /nfs/dbraw/zinc/01/25/82/917012582.db2.gz ZWQVGJYEPOAHNL-OAHLLOKOSA-N 2 1 290.411 1.889 10 30 CDEEMP C=CC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001485524081 917063031 /nfs/dbraw/zinc/06/30/31/917063031.db2.gz PBYNBCKKSDZABY-CYBMUJFWSA-N 2 1 290.411 1.629 10 30 CDEEMP C#CCC[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001272817592 919706283 /nfs/dbraw/zinc/70/62/83/919706283.db2.gz PNXODYOISITOGP-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001486093040 920690709 /nfs/dbraw/zinc/69/07/09/920690709.db2.gz STFDNNBMUUMWSX-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001649448339 1169257730 /nfs/dbraw/zinc/25/77/30/1169257730.db2.gz WSYKXMYXQSZPPQ-PBHICJAKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001491004025 936840847 /nfs/dbraw/zinc/84/08/47/936840847.db2.gz ZERFNPJGFMQVFL-MJBXVCDLSA-N 2 1 265.401 1.284 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC001491082365 936854162 /nfs/dbraw/zinc/85/41/62/936854162.db2.gz FXYIVLTYXNMLTQ-XHSDSOJGSA-N 2 1 285.391 1.159 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001491360426 936897939 /nfs/dbraw/zinc/89/79/39/936897939.db2.gz IAEQJILJUBKLPF-FHERZECASA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001649464954 1169267022 /nfs/dbraw/zinc/26/70/22/1169267022.db2.gz ATFDVXKDUVRQQD-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001490774364 927339402 /nfs/dbraw/zinc/33/94/02/927339402.db2.gz AGIBHYJHPLJIPI-HZPDHXFCSA-N 2 1 293.455 1.376 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001568498851 1169332849 /nfs/dbraw/zinc/33/28/49/1169332849.db2.gz SEVAEIRBHOFWLG-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001568498851 1169332858 /nfs/dbraw/zinc/33/28/58/1169332858.db2.gz SEVAEIRBHOFWLG-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001568498851 1169332868 /nfs/dbraw/zinc/33/28/68/1169332868.db2.gz SEVAEIRBHOFWLG-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001568498851 1169332839 /nfs/dbraw/zinc/33/28/39/1169332839.db2.gz SEVAEIRBHOFWLG-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001274152712 931205524 /nfs/dbraw/zinc/20/55/24/931205524.db2.gz HIDRCFWKZPFRQN-WLMCBFPDSA-N 2 1 291.439 1.392 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](F)C[NH+](CC)CC ZINC001275114296 931668408 /nfs/dbraw/zinc/66/84/08/931668408.db2.gz HTGXWACLABEOAH-LSDHHAIUSA-N 2 1 297.418 1.222 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001276656371 940615427 /nfs/dbraw/zinc/61/54/27/940615427.db2.gz NUMDVVTURKTKQO-UKRRQHHQSA-N 2 1 279.428 1.389 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001281931950 942634086 /nfs/dbraw/zinc/63/40/86/942634086.db2.gz GQMABLDCWBTFLM-JKSUJKDBSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001281931950 942634090 /nfs/dbraw/zinc/63/40/90/942634090.db2.gz GQMABLDCWBTFLM-JKSUJKDBSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001281931950 942634092 /nfs/dbraw/zinc/63/40/92/942634092.db2.gz GQMABLDCWBTFLM-JKSUJKDBSA-N 2 1 291.439 1.415 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001281956969 942636710 /nfs/dbraw/zinc/63/67/10/942636710.db2.gz NRDZHRDMMREPNQ-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001281956969 942636718 /nfs/dbraw/zinc/63/67/18/942636718.db2.gz NRDZHRDMMREPNQ-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001281956969 942636725 /nfs/dbraw/zinc/63/67/25/942636725.db2.gz NRDZHRDMMREPNQ-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001283462686 942897622 /nfs/dbraw/zinc/89/76/22/942897622.db2.gz DANBORKEDUVQGL-JKSUJKDBSA-N 2 1 293.455 1.472 10 30 CDEEMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC001284292988 943139776 /nfs/dbraw/zinc/13/97/76/943139776.db2.gz LNNFRHDBADEIMO-HUUCEWRRSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001263820783 943987974 /nfs/dbraw/zinc/98/79/74/943987974.db2.gz GWHBBUNZVFOOSH-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP 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CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001505996391 975076534 /nfs/dbraw/zinc/07/65/34/975076534.db2.gz FVRWGDPFLGQSJA-UONOGXRCSA-N 2 1 267.417 1.032 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001506063133 975104783 /nfs/dbraw/zinc/10/47/83/975104783.db2.gz LITGVVYVIPOVSK-CQSZACIVSA-N 2 1 289.423 1.984 10 30 CDEEMP C#CC[NH+]1CCCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506576163 975181170 /nfs/dbraw/zinc/18/11/70/975181170.db2.gz QQUPXJWXPAZOQD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001506576163 975181173 /nfs/dbraw/zinc/18/11/73/975181173.db2.gz QQUPXJWXPAZOQD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001506576163 975181178 /nfs/dbraw/zinc/18/11/78/975181178.db2.gz QQUPXJWXPAZOQD-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001401704649 975816411 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CC#CC[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)CC)CC1 ZINC001571645539 1170507201 /nfs/dbraw/zinc/50/72/01/1170507201.db2.gz JQTQIDBUYNSTLR-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001656234579 1171796278 /nfs/dbraw/zinc/79/62/78/1171796278.db2.gz JACKIIMMLHNCFJ-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437666 342905988 /nfs/dbraw/zinc/90/59/88/342905988.db2.gz KKQYZAZONYWSMF-CHWSQXEVSA-N 2 1 268.405 1.244 10 30 CDEEMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@](C)(C#N)C2)CC1 ZINC000595842572 343172991 /nfs/dbraw/zinc/17/29/91/343172991.db2.gz FQSJQVKYRXFUCY-MRXNPFEDSA-N 2 1 278.444 1.638 10 30 CDEEMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(Cl)c(C#N)n1 ZINC000596425911 343312000 /nfs/dbraw/zinc/31/20/00/343312000.db2.gz YMKKKOWGQASRKE-UHFFFAOYSA-N 2 1 295.818 1.324 10 30 CDEEMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(Cl)c(C#N)n1 ZINC000596425911 343312001 /nfs/dbraw/zinc/31/20/01/343312001.db2.gz YMKKKOWGQASRKE-UHFFFAOYSA-N 2 1 295.818 1.324 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001660330707 1172197180 /nfs/dbraw/zinc/19/71/80/1172197180.db2.gz WHOHLMUZMMYQIU-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001660330707 1172197182 /nfs/dbraw/zinc/19/71/82/1172197182.db2.gz WHOHLMUZMMYQIU-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001660330707 1172197187 /nfs/dbraw/zinc/19/71/87/1172197187.db2.gz WHOHLMUZMMYQIU-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000247197240 361033301 /nfs/dbraw/zinc/03/33/01/361033301.db2.gz WXNGMKLJMKYEMH-OCCSQVGLSA-N 2 1 276.384 1.347 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000247197240 361033308 /nfs/dbraw/zinc/03/33/08/361033308.db2.gz WXNGMKLJMKYEMH-OCCSQVGLSA-N 2 1 276.384 1.347 10 30 CDEEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399987 367826122 /nfs/dbraw/zinc/82/61/22/367826122.db2.gz MIKXKUZYXLFUQS-HUUCEWRRSA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399987 367826124 /nfs/dbraw/zinc/82/61/24/367826124.db2.gz MIKXKUZYXLFUQS-HUUCEWRRSA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399987 367826126 /nfs/dbraw/zinc/82/61/26/367826126.db2.gz MIKXKUZYXLFUQS-HUUCEWRRSA-N 2 1 279.428 1.705 10 30 CDEEMP CC[NH+](CC#CC[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361597554 368927030 /nfs/dbraw/zinc/92/70/30/368927030.db2.gz ZDZRYHPWFRSFJD-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP C[N@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618589 375881787 /nfs/dbraw/zinc/88/17/87/375881787.db2.gz FNNFGEUIUWRWDS-XHSDSOJGSA-N 2 1 271.364 1.085 10 30 CDEEMP C[N@@H+]1C[C@@H]2C[NH+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618589 375881795 /nfs/dbraw/zinc/88/17/95/375881795.db2.gz FNNFGEUIUWRWDS-XHSDSOJGSA-N 2 1 271.364 1.085 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618589 375881798 /nfs/dbraw/zinc/88/17/98/375881798.db2.gz FNNFGEUIUWRWDS-XHSDSOJGSA-N 2 1 271.364 1.085 10 30 CDEEMP C[NH+]1C[C@@H]2C[N@H+](C[C@H](O)c3ccc(C#N)cc3)C[C@@H]2C1 ZINC000193618589 375881808 /nfs/dbraw/zinc/88/18/08/375881808.db2.gz FNNFGEUIUWRWDS-XHSDSOJGSA-N 2 1 271.364 1.085 10 30 CDEEMP C=CCCn1cc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nn1 ZINC000655938674 412956455 /nfs/dbraw/zinc/95/64/55/412956455.db2.gz BBYHYYCNPYODRZ-HNNXBMFYSA-N 2 1 289.427 1.676 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001663457281 1172698808 /nfs/dbraw/zinc/69/88/08/1172698808.db2.gz HTKAPAYTFRBVIP-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCC#N)C[C@@H]1C ZINC000339009743 391241214 /nfs/dbraw/zinc/24/12/14/391241214.db2.gz ICNYDYKSNPHLKS-KBPBESRZSA-N 2 1 253.390 1.721 10 30 CDEEMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCC#N)C[C@@H]1C ZINC000339009743 391241216 /nfs/dbraw/zinc/24/12/16/391241216.db2.gz ICNYDYKSNPHLKS-KBPBESRZSA-N 2 1 253.390 1.721 10 30 CDEEMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCC#N)C[C@@H]1C ZINC000339009743 391241220 /nfs/dbraw/zinc/24/12/20/391241220.db2.gz ICNYDYKSNPHLKS-KBPBESRZSA-N 2 1 253.390 1.721 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000647902729 391200588 /nfs/dbraw/zinc/20/05/88/391200588.db2.gz BNHHYDHSSDXXFF-KFWWJZLASA-N 2 1 277.412 1.237 10 30 CDEEMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1=O ZINC000647902729 391200589 /nfs/dbraw/zinc/20/05/89/391200589.db2.gz BNHHYDHSSDXXFF-KFWWJZLASA-N 2 1 277.412 1.237 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001664872414 1172922158 /nfs/dbraw/zinc/92/21/58/1172922158.db2.gz BPAQOOHOVXQNKD-UHFFFAOYSA-N 2 1 276.380 1.754 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]Cc1c(C)cc(OC)cc1O ZINC001664872414 1172922162 /nfs/dbraw/zinc/92/21/62/1172922162.db2.gz 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175091706 /nfs/dbraw/zinc/09/17/06/175091706.db2.gz CONMKALYUPXMGM-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@H](O)C2)s1 ZINC000043683962 175091927 /nfs/dbraw/zinc/09/19/27/175091927.db2.gz KRISYPSITNYBND-NSHDSACASA-N 2 1 250.367 1.015 10 30 CDEEMP N#Cc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044530069 175194971 /nfs/dbraw/zinc/19/49/71/175194971.db2.gz UCTFWTMAHSWHAE-AWEZNQCLSA-N 2 1 259.353 1.608 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001666606293 1173160330 /nfs/dbraw/zinc/16/03/30/1173160330.db2.gz YJGAUIWGSWMJAQ-CVEARBPZSA-N 2 1 293.455 1.474 10 30 CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001671415911 1173680923 /nfs/dbraw/zinc/68/09/23/1173680923.db2.gz RXOJWKIMJRDJKB-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C[NH+]=C(N[C@@H]1CC1(C)C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261641704 329974338 /nfs/dbraw/zinc/97/43/38/329974338.db2.gz DIIPWHSBMSSESD-ZIAGYGMSSA-N 2 1 294.443 1.014 10 30 CDEEMP [NH2+]=C(NCCc1cccs1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262477235 330016446 /nfs/dbraw/zinc/01/64/46/330016446.db2.gz PYKZMUACBJUWJO-NSHDSACASA-N 2 1 289.408 1.406 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CC[N@@H+](CC)C1)N[C@@H]1C[C@@H]1C ZINC000262698139 330027894 /nfs/dbraw/zinc/02/78/94/330027894.db2.gz FLXVONMPWOVPBY-RWMBFGLXSA-N 2 1 252.406 1.292 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263270283 330051298 /nfs/dbraw/zinc/05/12/98/330051298.db2.gz OYZOCQAENICIFY-CHWSQXEVSA-N 2 1 264.417 1.708 10 30 CDEEMP C=CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1Cl ZINC000263288532 330051861 /nfs/dbraw/zinc/05/18/61/330051861.db2.gz VKJXHNHRTGXOHQ-OCCSQVGLSA-N 2 1 296.798 1.575 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482354209 1160169387 /nfs/dbraw/zinc/16/93/87/1160169387.db2.gz PDFDSWGVDCYFLO-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1C ZINC001700887618 1177180311 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CDEEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCC1N=NC(N)=[NH2+] ZINC000734362084 575339243 /nfs/dbraw/zinc/33/92/43/575339243.db2.gz LFGTVYDOVISSAF-LLVKDONJSA-N 2 1 259.357 1.367 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001688939120 1175072759 /nfs/dbraw/zinc/07/27/59/1175072759.db2.gz DIIVXTJEGDVRPN-SHTZXODSSA-N 2 1 290.411 1.642 10 30 CDEEMP C=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1cc[nH+]c1C ZINC001689111069 1175098484 /nfs/dbraw/zinc/09/84/84/1175098484.db2.gz VFRHEZCVFOYHGP-HIFRSBDPSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)C(C)C)CC1 ZINC001689970469 1175326318 /nfs/dbraw/zinc/32/63/18/1175326318.db2.gz QKOGLRRFTLOQTN-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001690215432 1175405073 /nfs/dbraw/zinc/40/50/73/1175405073.db2.gz POIUZSMTFQPHPA-IYBDPMFKSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C(C)(C)C1 ZINC000940618161 613335553 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CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C[N@H+](C)CC)C1 ZINC000900892102 623614014 /nfs/dbraw/zinc/61/40/14/623614014.db2.gz VINLUMZSZOQZOO-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000908422692 628191315 /nfs/dbraw/zinc/19/13/15/628191315.db2.gz IJEOPAGYULMCQB-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001266445296 1158547848 /nfs/dbraw/zinc/54/78/48/1158547848.db2.gz ODSVOTIBYMMXKD-CVEARBPZSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001691990104 1158677086 /nfs/dbraw/zinc/67/70/86/1158677086.db2.gz VEVZABSDARVGBD-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001691990104 1158677090 /nfs/dbraw/zinc/67/70/90/1158677090.db2.gz VEVZABSDARVGBD-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001691990104 1158677095 /nfs/dbraw/zinc/67/70/95/1158677095.db2.gz VEVZABSDARVGBD-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266860033 1158913133 /nfs/dbraw/zinc/91/31/33/1158913133.db2.gz VQKCBTSGCOMJOT-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266860033 1158913136 /nfs/dbraw/zinc/91/31/36/1158913136.db2.gz VQKCBTSGCOMJOT-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266860033 1158913138 /nfs/dbraw/zinc/91/31/38/1158913138.db2.gz VQKCBTSGCOMJOT-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCC[NH+](C)C ZINC001691395596 1159048490 /nfs/dbraw/zinc/04/84/90/1159048490.db2.gz LKVKBSVZCCWEIW-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC001622172115 1165717536 /nfs/dbraw/zinc/71/75/36/1165717536.db2.gz PXXWBKOLKHIYQP-KGLIPLIRSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@H+](C3CC3)C[C@H]2C)CC1 ZINC001638816553 1166874550 /nfs/dbraw/zinc/87/45/50/1166874550.db2.gz QIDDAMYRWYRGJC-CQSZACIVSA-N 2 1 289.423 1.027 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC001638816553 1166874557 /nfs/dbraw/zinc/87/45/57/1166874557.db2.gz QIDDAMYRWYRGJC-CQSZACIVSA-N 2 1 289.423 1.027 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001568192443 1169170834 /nfs/dbraw/zinc/17/08/34/1169170834.db2.gz WPHJLXWTFHHIIV-HUUCEWRRSA-N 2 1 279.428 1.084 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1CC1 ZINC001569319660 1169762460 /nfs/dbraw/zinc/76/24/60/1169762460.db2.gz BWTWYUJNOAYZIA-HNNXBMFYSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[N@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569725568 1169976974 /nfs/dbraw/zinc/97/69/74/1169976974.db2.gz BHGWKTMZGCKIJW-MRXNPFEDSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CC[N@@H+]1CCC[C@](C)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569725568 1169976980 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C=CCC[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001699592687 1176491731 /nfs/dbraw/zinc/49/17/31/1176491731.db2.gz MGPOZKJRYRTYJE-HIFRSBDPSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C1CC1 ZINC001699602159 1176495694 /nfs/dbraw/zinc/49/56/94/1176495694.db2.gz JCPPQMWDWPIRLF-JKSUJKDBSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001700020407 1176722073 /nfs/dbraw/zinc/72/20/73/1176722073.db2.gz SYSUDMKNPOKJID-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001700020407 1176722080 /nfs/dbraw/zinc/72/20/80/1176722080.db2.gz SYSUDMKNPOKJID-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C1 ZINC001700020407 1176722090 /nfs/dbraw/zinc/72/20/90/1176722090.db2.gz SYSUDMKNPOKJID-JKSUJKDBSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001700154204 1176775500 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/nfs/dbraw/zinc/26/42/76/1178264276.db2.gz UWAVYJTVJNXVGF-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001712954885 1178264280 /nfs/dbraw/zinc/26/42/80/1178264280.db2.gz UWAVYJTVJNXVGF-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001712954885 1178264284 /nfs/dbraw/zinc/26/42/84/1178264284.db2.gz UWAVYJTVJNXVGF-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCF ZINC001713263251 1178458142 /nfs/dbraw/zinc/45/81/42/1178458142.db2.gz GNQLBCIHDFSWNJ-CABCVRRESA-N 2 1 295.402 1.024 10 30 CDEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC001713544164 1178636372 /nfs/dbraw/zinc/63/63/72/1178636372.db2.gz HZALDNXBXWUMCD-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+](CCC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001713544164 1178636375 /nfs/dbraw/zinc/63/63/75/1178636375.db2.gz HZALDNXBXWUMCD-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+](CCC)CCNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001713544164 1178636377 /nfs/dbraw/zinc/63/63/77/1178636377.db2.gz HZALDNXBXWUMCD-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001713544164 1178636380 /nfs/dbraw/zinc/63/63/80/1178636380.db2.gz HZALDNXBXWUMCD-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH+](CCC)CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001713544164 1178636382 /nfs/dbraw/zinc/63/63/82/1178636382.db2.gz HZALDNXBXWUMCD-HNNXBMFYSA-N 2 1 297.443 1.111 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)C(C)C ZINC001713689766 1178711305 /nfs/dbraw/zinc/71/13/05/1178711305.db2.gz TWJKXPDVGXMAKS-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001713689766 1178711306 /nfs/dbraw/zinc/71/13/06/1178711306.db2.gz TWJKXPDVGXMAKS-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001713689766 1178711310 /nfs/dbraw/zinc/71/13/10/1178711310.db2.gz TWJKXPDVGXMAKS-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001713690921 1178711617 /nfs/dbraw/zinc/71/16/17/1178711617.db2.gz GTZYFKBDCMHKOB-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001713690921 1178711623 /nfs/dbraw/zinc/71/16/23/1178711623.db2.gz GTZYFKBDCMHKOB-UHFFFAOYSA-N 2 1 290.411 1.432 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[C@H]2CC[N@H+](CC)C2)CC1 ZINC001713742112 1178732086 /nfs/dbraw/zinc/73/20/86/1178732086.db2.gz RTDWLJMSLZBPDN-HNNXBMFYSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001714108239 1178976181 /nfs/dbraw/zinc/97/61/81/1178976181.db2.gz WJEOVOZUYGHLJC-LSDHHAIUSA-N 2 1 279.428 1.367 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001714622208 1179274383 /nfs/dbraw/zinc/27/43/83/1179274383.db2.gz RYAKHRATPCTOTM-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(C)C ZINC001714832841 1179413929 /nfs/dbraw/zinc/41/39/29/1179413929.db2.gz NCGJZPJQEZSMCZ-HZPDHXFCSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCCC1 ZINC001715309729 1179618384 /nfs/dbraw/zinc/61/83/84/1179618384.db2.gz JTUCKSLZIAXMCW-UHFFFAOYSA-N 2 1 290.411 1.786 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001715521752 1179697505 /nfs/dbraw/zinc/69/75/05/1179697505.db2.gz XLFOHDUTLFGSLM-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715521752 1179697509 /nfs/dbraw/zinc/69/75/09/1179697509.db2.gz XLFOHDUTLFGSLM-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001715521752 1179697512 /nfs/dbraw/zinc/69/75/12/1179697512.db2.gz XLFOHDUTLFGSLM-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001715539567 1179709153 /nfs/dbraw/zinc/70/91/53/1179709153.db2.gz LNHGGRNRZCMEJI-KBPBESRZSA-N 2 1 267.417 1.435 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001715652796 1179753613 /nfs/dbraw/zinc/75/36/13/1179753613.db2.gz KQTKZRMFVZAUHF-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[N@@H+](C)CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001716011215 1179982811 /nfs/dbraw/zinc/98/28/11/1179982811.db2.gz ABZRMGDZZPKIBP-UHFFFAOYSA-N 2 1 293.455 1.666 10 30 CDEEMP C#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001716244585 1180118247 /nfs/dbraw/zinc/11/82/47/1180118247.db2.gz ZDMWGZGXQHYIQD-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001716456774 1180220990 /nfs/dbraw/zinc/22/09/90/1180220990.db2.gz YKRPIGBRJQOTNX-ZDUSSCGKSA-N 2 1 276.384 1.089 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716513706 1180263266 /nfs/dbraw/zinc/26/32/66/1180263266.db2.gz GMTJQRLGMQLMED-ZBFHGGJFSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001716737913 1180390194 /nfs/dbraw/zinc/39/01/94/1180390194.db2.gz MHRDVFZKRCAOPN-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCCCC[NH+]1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001716737913 1180390203 /nfs/dbraw/zinc/39/02/03/1180390203.db2.gz MHRDVFZKRCAOPN-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCC1 ZINC001716824511 1180425867 /nfs/dbraw/zinc/42/58/67/1180425867.db2.gz FAERSLYVVZGQRA-JKSUJKDBSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001717729305 1180813334 /nfs/dbraw/zinc/81/33/34/1180813334.db2.gz ZYQFRAWQXXJGRU-GJZGRUSLSA-N 2 1 279.428 1.483 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001717841718 1180889420 /nfs/dbraw/zinc/88/94/20/1180889420.db2.gz URRIVVBFMDXPGQ-NVXWUHKLSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C(C)C)CCC[C@@H]12 ZINC001717841718 1180889428 /nfs/dbraw/zinc/88/94/28/1180889428.db2.gz URRIVVBFMDXPGQ-NVXWUHKLSA-N 2 1 291.439 1.463 10 30 CDEEMP CC#CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)C(C)C)CCC[C@@H]12 ZINC001717841718 1180889435 /nfs/dbraw/zinc/88/94/35/1180889435.db2.gz URRIVVBFMDXPGQ-NVXWUHKLSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001723888573 1181619612 /nfs/dbraw/zinc/61/96/12/1181619612.db2.gz MWGDWWAGMTVQIS-KBPBESRZSA-N 2 1 265.401 1.237 10 30 CDEEMP CC#CC[NH2+]C[C@@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001724269548 1181659570 /nfs/dbraw/zinc/65/95/70/1181659570.db2.gz YYGDAWFRACTRCN-MRXNPFEDSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001725068813 1181843734 /nfs/dbraw/zinc/84/37/34/1181843734.db2.gz LGXAMMGLXOJLQQ-PCKAHOCUSA-N 2 1 291.439 1.226 10 30 CDEEMP CC#CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001725259270 1181943081 /nfs/dbraw/zinc/94/30/81/1181943081.db2.gz ZXKCIEBHRCQZEN-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001731327686 1182320933 /nfs/dbraw/zinc/32/09/33/1182320933.db2.gz IGGHZOVNAPLYGO-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001731327686 1182320939 /nfs/dbraw/zinc/32/09/39/1182320939.db2.gz IGGHZOVNAPLYGO-HNNXBMFYSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001732507647 1182992018 /nfs/dbraw/zinc/99/20/18/1182992018.db2.gz JBVQTLIDEOYXJR-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001732581905 1183027068 /nfs/dbraw/zinc/02/70/68/1183027068.db2.gz SZZVPNPIBBJROT-ZIAGYGMSSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001732581905 1183027073 /nfs/dbraw/zinc/02/70/73/1183027073.db2.gz SZZVPNPIBBJROT-ZIAGYGMSSA-N 2 1 267.417 1.293 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001732581905 1183027080 /nfs/dbraw/zinc/02/70/80/1183027080.db2.gz SZZVPNPIBBJROT-ZIAGYGMSSA-N 2 1 267.417 1.293 10 30 CDEEMP C=C(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001733143079 1183306188 /nfs/dbraw/zinc/30/61/88/1183306188.db2.gz BOFWDVOVQLJLRC-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001733937816 1183575789 /nfs/dbraw/zinc/57/57/89/1183575789.db2.gz LWHVIVMIEAPEFK-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001733937816 1183575791 /nfs/dbraw/zinc/57/57/91/1183575791.db2.gz LWHVIVMIEAPEFK-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+](C)CCC ZINC001733937816 1183575793 /nfs/dbraw/zinc/57/57/93/1183575793.db2.gz LWHVIVMIEAPEFK-HNNXBMFYSA-N 2 1 279.428 1.274 10 30 CDEEMP CNC(NC[C@@H]1CC[N@H+]1C1CCCCCC1)=[NH+]C ZINC000864358008 1164532622 /nfs/dbraw/zinc/53/26/22/1164532622.db2.gz DEBFZKXFZQWEKM-ZDUSSCGKSA-N 2 1 252.406 1.578 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317851604 1164777324 /nfs/dbraw/zinc/77/73/24/1164777324.db2.gz BMFVLKLWUBMIJG-HNNXBMFYSA-N 2 1 295.471 1.931 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCn1cc[nH+]c1C ZINC000876892678 783028381 /nfs/dbraw/zinc/02/83/81/783028381.db2.gz DVOIWQLFPFYWHF-GFCCVEGCSA-N 2 1 284.791 1.510 10 30 CDEEMP C[N@@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581443 780390877 /nfs/dbraw/zinc/39/08/77/780390877.db2.gz ZTOKKJSRYHPINU-HZSPNIEDSA-N 2 1 263.385 1.067 10 30 CDEEMP C[N@H+]1CC[C@@H]2C[NH+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581443 780390888 /nfs/dbraw/zinc/39/08/88/780390888.db2.gz ZTOKKJSRYHPINU-HZSPNIEDSA-N 2 1 263.385 1.067 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@H+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581443 780390899 /nfs/dbraw/zinc/39/08/99/780390899.db2.gz ZTOKKJSRYHPINU-HZSPNIEDSA-N 2 1 263.385 1.067 10 30 CDEEMP C[NH+]1CC[C@@H]2C[N@@H+](C[C@@H](O)CC3(C#N)CC3)CC[C@H]21 ZINC000879581443 780390912 /nfs/dbraw/zinc/39/09/12/780390912.db2.gz ZTOKKJSRYHPINU-HZSPNIEDSA-N 2 1 263.385 1.067 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1CC ZINC001569342116 1167556610 /nfs/dbraw/zinc/55/66/10/1167556610.db2.gz FRFXKKDQPRRCFG-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H]1CN(C(=O)C[N@H+](C)CCC)CCO1 ZINC001571002673 1167587539 /nfs/dbraw/zinc/58/75/39/1167587539.db2.gz SEXYWGVIEBLIIP-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001567612802 1168066158 /nfs/dbraw/zinc/06/61/58/1168066158.db2.gz JXZYEZREUOFHIF-OAHLLOKOSA-N 2 1 275.396 1.523 10 30 CDEEMP C#CCC[N@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001566576713 1168342059 /nfs/dbraw/zinc/34/20/59/1168342059.db2.gz YGYFKFIJHQSSRA-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)Cn1cc[nH+]c1C ZINC001566576713 1168342066 /nfs/dbraw/zinc/34/20/66/1168342066.db2.gz YGYFKFIJHQSSRA-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001566879180 1168455846 /nfs/dbraw/zinc/45/58/46/1168455846.db2.gz HEWRKYKLCDXEIS-HZPDHXFCSA-N 2 1 295.471 1.977 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001483742507 913570762 /nfs/dbraw/zinc/57/07/62/913570762.db2.gz KYFYHENMUWKFJO-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266311823 894339128 /nfs/dbraw/zinc/33/91/28/894339128.db2.gz JSVBAJLZFMNZHC-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001266311823 894339140 /nfs/dbraw/zinc/33/91/40/894339140.db2.gz JSVBAJLZFMNZHC-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266311823 894339152 /nfs/dbraw/zinc/33/91/52/894339152.db2.gz JSVBAJLZFMNZHC-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266350514 894504750 /nfs/dbraw/zinc/50/47/50/894504750.db2.gz VEXOKCZYDDAKDJ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266350514 894504764 /nfs/dbraw/zinc/50/47/64/894504764.db2.gz VEXOKCZYDDAKDJ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001266350514 894504781 /nfs/dbraw/zinc/50/47/81/894504781.db2.gz VEXOKCZYDDAKDJ-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001266517482 895196581 /nfs/dbraw/zinc/19/65/81/895196581.db2.gz KICUVBJWKKTRGP-LSDHHAIUSA-N 2 1 297.418 1.128 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001267157136 896948963 /nfs/dbraw/zinc/94/89/63/896948963.db2.gz IBMFJTBWJIHVMJ-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C=CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001267307158 897547541 /nfs/dbraw/zinc/54/75/41/897547541.db2.gz MQPHKRYASCICBZ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001267307158 897547554 /nfs/dbraw/zinc/54/75/54/897547554.db2.gz MQPHKRYASCICBZ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001267307158 897547568 /nfs/dbraw/zinc/54/75/68/897547568.db2.gz MQPHKRYASCICBZ-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267969394 900115079 /nfs/dbraw/zinc/11/50/79/900115079.db2.gz GTPRWEUZKGWOBV-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001267987742 900203816 /nfs/dbraw/zinc/20/38/16/900203816.db2.gz YGNMUZHHTFCJSM-KBPBESRZSA-N 2 1 290.411 1.372 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001481303072 900274103 /nfs/dbraw/zinc/27/41/03/900274103.db2.gz VAYBHXCXGUIHAZ-GFCCVEGCSA-N 2 1 273.808 1.129 10 30 CDEEMP C#CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001481330157 900427366 /nfs/dbraw/zinc/42/73/66/900427366.db2.gz YEZKTNIMZZBLMB-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001481354126 900482534 /nfs/dbraw/zinc/48/25/34/900482534.db2.gz XYNKIKDYYIXJQW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001481354126 900482538 /nfs/dbraw/zinc/48/25/38/900482538.db2.gz XYNKIKDYYIXJQW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001481354126 900482541 /nfs/dbraw/zinc/48/25/41/900482541.db2.gz XYNKIKDYYIXJQW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481407427 900574523 /nfs/dbraw/zinc/57/45/23/900574523.db2.gz DAIVYINDIVCMJZ-GJZGRUSLSA-N 2 1 281.444 1.826 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+](CCC)C1)C(C)C ZINC001268218544 901592358 /nfs/dbraw/zinc/59/23/58/901592358.db2.gz JHQKNNCBAWXKJC-HOTGVXAUSA-N 2 1 293.455 1.472 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC1 ZINC001482109179 902649669 /nfs/dbraw/zinc/64/96/69/902649669.db2.gz AOAQKVFOASTUAL-ZBFHGGJFSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC1 ZINC001482109179 902649673 /nfs/dbraw/zinc/64/96/73/902649673.db2.gz AOAQKVFOASTUAL-ZBFHGGJFSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001268687086 902965364 /nfs/dbraw/zinc/96/53/64/902965364.db2.gz XFQMPDXNAZGJKA-MELADBBJSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001269180803 903511388 /nfs/dbraw/zinc/51/13/88/903511388.db2.gz FNTRHKFSSOXMCU-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001269454723 903823633 /nfs/dbraw/zinc/82/36/33/903823633.db2.gz QDHPOYBDWICDRX-CABCVRRESA-N 2 1 281.444 1.779 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001496734242 906849662 /nfs/dbraw/zinc/84/96/62/906849662.db2.gz CTESLBHDHZTUPD-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001496734242 906849673 /nfs/dbraw/zinc/84/96/73/906849673.db2.gz CTESLBHDHZTUPD-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001496734242 906849682 /nfs/dbraw/zinc/84/96/82/906849682.db2.gz CTESLBHDHZTUPD-MRXNPFEDSA-N 2 1 293.455 1.520 10 30 CDEEMP C[N@H+]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CCC1(C)C ZINC000712620712 909575282 /nfs/dbraw/zinc/57/52/82/909575282.db2.gz BEGUTWYACUEKCN-CYBMUJFWSA-N 2 1 280.416 1.340 10 30 CDEEMP C#CCC[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001273018761 921568620 /nfs/dbraw/zinc/56/86/20/921568620.db2.gz OIGQNRYJNHXZOG-CQSZACIVSA-N 2 1 281.444 1.472 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001483423854 911100708 /nfs/dbraw/zinc/10/07/08/911100708.db2.gz KKIKYGCLONHWGK-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)Cc1ccccc1 ZINC001483423854 911100714 /nfs/dbraw/zinc/10/07/14/911100714.db2.gz KKIKYGCLONHWGK-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001483423854 911100722 /nfs/dbraw/zinc/10/07/22/911100722.db2.gz KKIKYGCLONHWGK-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001483423854 911100727 /nfs/dbraw/zinc/10/07/27/911100727.db2.gz KKIKYGCLONHWGK-OAHLLOKOSA-N 2 1 287.407 1.188 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001485094912 916509338 /nfs/dbraw/zinc/50/93/38/916509338.db2.gz OTQXKSJZVTXCIS-NRXISQOPSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CCCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485351574 916871374 /nfs/dbraw/zinc/87/13/74/916871374.db2.gz VGZCHOGLVGOWAL-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485351574 916871389 /nfs/dbraw/zinc/87/13/89/916871389.db2.gz VGZCHOGLVGOWAL-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485351574 916871401 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KGQQEBVYBJHAQG-CQSZACIVSA-N 2 1 252.402 1.874 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274785889 931576894 /nfs/dbraw/zinc/57/68/94/931576894.db2.gz FMIRKEUGPZTGSA-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CCC ZINC001275804097 932051224 /nfs/dbraw/zinc/05/12/24/932051224.db2.gz DRYYWZCWQCGQJB-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCC[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001275882625 932111046 /nfs/dbraw/zinc/11/10/46/932111046.db2.gz RIOCQWJPDUSBRH-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001275882625 932111053 /nfs/dbraw/zinc/11/10/53/932111053.db2.gz RIOCQWJPDUSBRH-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001276013431 932236564 /nfs/dbraw/zinc/23/65/64/932236564.db2.gz XUPLBRDHCGXHBO-LSDHHAIUSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718759145 934831678 /nfs/dbraw/zinc/83/16/78/934831678.db2.gz PHJHFPBTYKQHIY-GJZGRUSLSA-N 2 1 252.402 1.879 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718759145 934831681 /nfs/dbraw/zinc/83/16/81/934831681.db2.gz PHJHFPBTYKQHIY-GJZGRUSLSA-N 2 1 252.402 1.879 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)CC1 ZINC001277094495 941944853 /nfs/dbraw/zinc/94/48/53/941944853.db2.gz XEASWPPCWKDGAD-HUUCEWRRSA-N 2 1 289.423 1.265 10 30 CDEEMP C#CCC[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001280394233 942433806 /nfs/dbraw/zinc/43/38/06/942433806.db2.gz FYHXOABMJMKTLM-UHFFFAOYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001283296470 942873650 /nfs/dbraw/zinc/87/36/50/942873650.db2.gz JOBCUHKIQJKZDT-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001283296470 942873653 /nfs/dbraw/zinc/87/36/53/942873653.db2.gz JOBCUHKIQJKZDT-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001283296470 942873657 /nfs/dbraw/zinc/87/36/57/942873657.db2.gz JOBCUHKIQJKZDT-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001264373068 944117277 /nfs/dbraw/zinc/11/72/77/944117277.db2.gz RBRHSVXQIYTYSG-KGLIPLIRSA-N 2 1 267.417 1.435 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001264393973 944125805 /nfs/dbraw/zinc/12/58/05/944125805.db2.gz RTKKTEIJZCUIIK-OWCLPIDISA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265230901 944289512 /nfs/dbraw/zinc/28/95/12/944289512.db2.gz NVUFWHHXHQTILV-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265416409 944377066 /nfs/dbraw/zinc/37/70/66/944377066.db2.gz ZISHEVBOLAZUID-OAGGEKHMSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001265416409 944377073 /nfs/dbraw/zinc/37/70/73/944377073.db2.gz ZISHEVBOLAZUID-OAGGEKHMSA-N 2 1 291.439 1.580 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)C1 ZINC001265416409 944377078 /nfs/dbraw/zinc/37/70/78/944377078.db2.gz ZISHEVBOLAZUID-OAGGEKHMSA-N 2 1 291.439 1.580 10 30 CDEEMP C#CC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001265653522 944458000 /nfs/dbraw/zinc/45/80/00/944458000.db2.gz CAAZVZDXWUVGAY-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+](C)C)C1 ZINC001265706739 944476939 /nfs/dbraw/zinc/47/69/39/944476939.db2.gz YXTQHERVLWIUQB-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001277987387 944522993 /nfs/dbraw/zinc/52/29/93/944522993.db2.gz HZNUCPICFNIYAT-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001480113138 971581545 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C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001493156336 971961471 /nfs/dbraw/zinc/96/14/71/971961471.db2.gz PIHQZULMNLZCFV-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001493498290 972071095 /nfs/dbraw/zinc/07/10/95/972071095.db2.gz ATPYJGOULCKCPM-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC=C ZINC001492036101 955624079 /nfs/dbraw/zinc/62/40/79/955624079.db2.gz CTQXEDORDFFVHD-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC=C ZINC001492036101 955624090 /nfs/dbraw/zinc/62/40/90/955624090.db2.gz CTQXEDORDFFVHD-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001492251915 955757071 /nfs/dbraw/zinc/75/70/71/955757071.db2.gz AZINFMORYBSLRA-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001492251915 955757081 /nfs/dbraw/zinc/75/70/81/955757081.db2.gz AZINFMORYBSLRA-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC001492251915 955757090 /nfs/dbraw/zinc/75/70/90/955757090.db2.gz AZINFMORYBSLRA-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001492358907 955826895 /nfs/dbraw/zinc/82/68/95/955826895.db2.gz LXSQOEXWRILDLA-UHFFFAOYSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001329575708 955995415 /nfs/dbraw/zinc/99/54/15/955995415.db2.gz DLFISSWIMVUIGL-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)CCCn1cc[nH+]c1C ZINC001329575708 955995422 /nfs/dbraw/zinc/99/54/22/955995422.db2.gz DLFISSWIMVUIGL-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001316875396 956863590 /nfs/dbraw/zinc/86/35/90/956863590.db2.gz AAOOOWLYCSYHGR-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001331490490 957098979 /nfs/dbraw/zinc/09/89/79/957098979.db2.gz GQPUITUNBARDEB-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001316954200 957148778 /nfs/dbraw/zinc/14/87/78/957148778.db2.gz MSVXIZHLWJFSRD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316954200 957148782 /nfs/dbraw/zinc/14/87/82/957148782.db2.gz MSVXIZHLWJFSRD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001316954200 957148792 /nfs/dbraw/zinc/14/87/92/957148792.db2.gz MSVXIZHLWJFSRD-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001317014156 957203188 /nfs/dbraw/zinc/20/31/88/957203188.db2.gz BPBSPPPSQDYJLN-GJZGRUSLSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317530355 957531290 /nfs/dbraw/zinc/53/12/90/957531290.db2.gz WNCZAXBVFRKOGO-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001317530355 957531295 /nfs/dbraw/zinc/53/12/95/957531295.db2.gz WNCZAXBVFRKOGO-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001317530355 957531300 /nfs/dbraw/zinc/53/13/00/957531300.db2.gz WNCZAXBVFRKOGO-OAHLLOKOSA-N 2 1 293.455 1.426 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001317552883 957548170 /nfs/dbraw/zinc/54/81/70/957548170.db2.gz NJCDRYMWDHXMLN-LSDHHAIUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001317552883 957548177 /nfs/dbraw/zinc/54/81/77/957548177.db2.gz NJCDRYMWDHXMLN-LSDHHAIUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C1CC1 ZINC001317552883 957548184 /nfs/dbraw/zinc/54/81/84/957548184.db2.gz NJCDRYMWDHXMLN-LSDHHAIUSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001318299990 958021066 /nfs/dbraw/zinc/02/10/66/958021066.db2.gz QSSJAGABINWNGX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001318299990 958021083 /nfs/dbraw/zinc/02/10/83/958021083.db2.gz QSSJAGABINWNGX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001318299990 958021097 /nfs/dbraw/zinc/02/10/97/958021097.db2.gz QSSJAGABINWNGX-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001318479925 958124525 /nfs/dbraw/zinc/12/45/25/958124525.db2.gz SPZHGZBIEBJJBL-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001318479925 958124536 /nfs/dbraw/zinc/12/45/36/958124536.db2.gz SPZHGZBIEBJJBL-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001318479925 958124546 /nfs/dbraw/zinc/12/45/46/958124546.db2.gz SPZHGZBIEBJJBL-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001318851538 958279120 /nfs/dbraw/zinc/27/91/20/958279120.db2.gz RURWYGWOEDINAV-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494906789 972334740 /nfs/dbraw/zinc/33/47/40/972334740.db2.gz VBYPMALZCDNVGN-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494906789 972334743 /nfs/dbraw/zinc/33/47/43/972334743.db2.gz VBYPMALZCDNVGN-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CC)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494906789 972334745 /nfs/dbraw/zinc/33/47/45/972334745.db2.gz VBYPMALZCDNVGN-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001320150129 958971057 /nfs/dbraw/zinc/97/10/57/958971057.db2.gz ZAMOWSZFYLQQLP-GOEBONIOSA-N 2 1 291.439 1.369 10 30 CDEEMP CC#CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001321083391 959581885 /nfs/dbraw/zinc/58/18/85/959581885.db2.gz IWLKYDIIWPINFV-XHPSBEMXSA-N 2 1 277.412 1.146 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001321419329 959774248 /nfs/dbraw/zinc/77/42/48/959774248.db2.gz OVTLZHRWCWTMPA-IDTUSYRASA-N 2 1 279.428 1.699 10 30 CDEEMP C=CC[NH2+]C[C@](C)(NC(=O)[C@@]12CC[N@@H+](C1)CCC2)C1CC1 ZINC001495296477 972467497 /nfs/dbraw/zinc/46/74/97/972467497.db2.gz FBTBMITVBSOCNQ-IRXDYDNUSA-N 2 1 291.439 1.533 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322262122 960157505 /nfs/dbraw/zinc/15/75/05/960157505.db2.gz MNSLJNCSSRZIBN-CQSZACIVSA-N 2 1 287.407 1.432 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001322853757 960344321 /nfs/dbraw/zinc/34/43/21/960344321.db2.gz GBCDQCCNVMCDPX-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C#CC[NH2+]CCCN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001322853757 960344327 /nfs/dbraw/zinc/34/43/27/960344327.db2.gz GBCDQCCNVMCDPX-UHFFFAOYSA-N 2 1 287.407 1.190 10 30 CDEEMP C[N@H+]1CCC[C@H]1CNC(NC(C)(C)C)=[NH+]C[C@H]1CCOC1 ZINC001336670077 960454784 /nfs/dbraw/zinc/45/47/84/960454784.db2.gz VDXPKIQGJYBUIC-KGLIPLIRSA-N 2 1 296.459 1.451 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001437313958 962799133 /nfs/dbraw/zinc/79/91/33/962799133.db2.gz LTHBHIPHWJFTCN-KGLIPLIRSA-N 2 1 299.846 1.519 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)C1 ZINC001542887848 967253864 /nfs/dbraw/zinc/25/38/64/967253864.db2.gz YVOGISHTJNXJOP-AWEZNQCLSA-N 2 1 292.427 1.211 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001569553683 1169920928 /nfs/dbraw/zinc/92/09/28/1169920928.db2.gz WTPSRMXLEGJWMN-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)CCC[NH2+]1 ZINC001356412462 969391365 /nfs/dbraw/zinc/39/13/65/969391365.db2.gz JRAOIAPEUSDFFN-IXYNUQLISA-N 2 1 277.412 1.141 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C#N)CCCC1 ZINC000849047061 969434659 /nfs/dbraw/zinc/43/46/59/969434659.db2.gz OMXGXOJOLDBQLQ-ZDUSSCGKSA-N 2 1 277.416 1.669 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001371796511 972639577 /nfs/dbraw/zinc/63/95/77/972639577.db2.gz ARMLQJFVCRUJGJ-NSHDSACASA-N 2 1 284.791 1.428 10 30 CDEEMP C=CC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001496756608 973081995 /nfs/dbraw/zinc/08/19/95/973081995.db2.gz KXNSXYAOZUEUAI-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001496768251 973087838 /nfs/dbraw/zinc/08/78/38/973087838.db2.gz XTAWFIFPBVWXAZ-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001496768251 973087843 /nfs/dbraw/zinc/08/78/43/973087843.db2.gz XTAWFIFPBVWXAZ-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001496768251 973087854 /nfs/dbraw/zinc/08/78/54/973087854.db2.gz XTAWFIFPBVWXAZ-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001498659545 974014088 /nfs/dbraw/zinc/01/40/88/974014088.db2.gz ZVZOBVRMANHJAI-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001499067589 974177310 /nfs/dbraw/zinc/17/73/10/974177310.db2.gz XOGLEVHAMDFDSN-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001499067589 974177313 /nfs/dbraw/zinc/17/73/13/974177313.db2.gz XOGLEVHAMDFDSN-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001501183604 974546670 /nfs/dbraw/zinc/54/66/70/974546670.db2.gz CJKKBWMUYWGTOB-BZUAXINKSA-N 2 1 291.439 1.226 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001501403906 974578973 /nfs/dbraw/zinc/57/89/73/974578973.db2.gz MVGODSUKRUHKGX-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501403906 974578978 /nfs/dbraw/zinc/57/89/78/974578978.db2.gz MVGODSUKRUHKGX-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001501403906 974578982 /nfs/dbraw/zinc/57/89/82/974578982.db2.gz MVGODSUKRUHKGX-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)C[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)CCC)[C@@H]2C1 ZINC001501427738 974581687 /nfs/dbraw/zinc/58/16/87/974581687.db2.gz ZRNKFWJWOXVDPE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001501427738 974581692 /nfs/dbraw/zinc/58/16/92/974581692.db2.gz ZRNKFWJWOXVDPE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)CCC)[C@@H]2C1 ZINC001501427738 974581698 /nfs/dbraw/zinc/58/16/98/974581698.db2.gz ZRNKFWJWOXVDPE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)CCc1cnc[nH]1 ZINC001505432444 974876335 /nfs/dbraw/zinc/87/63/35/974876335.db2.gz LSEBQIYQRBYJPV-AWEZNQCLSA-N 2 1 276.384 1.451 10 30 CDEEMP C#CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001506576159 975182141 /nfs/dbraw/zinc/18/21/41/975182141.db2.gz QQUPXJWXPAZOQD-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001506576159 975182151 /nfs/dbraw/zinc/18/21/51/975182151.db2.gz QQUPXJWXPAZOQD-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001506576159 975182155 /nfs/dbraw/zinc/18/21/55/975182155.db2.gz QQUPXJWXPAZOQD-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001508106024 975611763 /nfs/dbraw/zinc/61/17/63/975611763.db2.gz NUOWKWSOEJHTDH-GPANFISMSA-N 2 1 291.439 1.462 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001401856964 975956813 /nfs/dbraw/zinc/95/68/13/975956813.db2.gz ZGVURXLSRYVVET-KGLIPLIRSA-N 2 1 299.846 1.708 10 30 CDEEMP C#CCC[NH+]1CC([C@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001675318399 1174101215 /nfs/dbraw/zinc/10/12/15/1174101215.db2.gz ZWMCZOPVFBKXNB-HOCLYGCPSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001570465120 1170166034 /nfs/dbraw/zinc/16/60/34/1170166034.db2.gz DOGOOPAXLRIUID-KKUMJFAQSA-N 2 1 279.428 1.224 10 30 CDEEMP Cc1ccc(C#N)c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000596426020 343312151 /nfs/dbraw/zinc/31/21/51/343312151.db2.gz ZIEDFZCEFIVJOD-UHFFFAOYSA-N 2 1 275.400 1.557 10 30 CDEEMP Cc1ccc(C#N)c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000596426020 343312153 /nfs/dbraw/zinc/31/21/53/343312153.db2.gz ZIEDFZCEFIVJOD-UHFFFAOYSA-N 2 1 275.400 1.557 10 30 CDEEMP C=CCC[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC001660484380 1172221055 /nfs/dbraw/zinc/22/10/55/1172221055.db2.gz OHAXWELDHQITPT-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CCC[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC001660484380 1172221063 /nfs/dbraw/zinc/22/10/63/1172221063.db2.gz OHAXWELDHQITPT-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CCN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261939744 359097713 /nfs/dbraw/zinc/09/77/13/359097713.db2.gz MPWPLEPQQFRHED-GVDBMIGSSA-N 2 1 293.455 1.384 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001661751978 1172440514 /nfs/dbraw/zinc/44/05/14/1172440514.db2.gz BUWRAACJSUVZBR-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001663547160 1172721004 /nfs/dbraw/zinc/72/10/04/1172721004.db2.gz AMPKREHEEVAWRY-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001663547160 1172721007 /nfs/dbraw/zinc/72/10/07/1172721007.db2.gz AMPKREHEEVAWRY-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001663547160 1172721015 /nfs/dbraw/zinc/72/10/15/1172721015.db2.gz AMPKREHEEVAWRY-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001664009456 1172800941 /nfs/dbraw/zinc/80/09/41/1172800941.db2.gz YLLSQECFHLTBKH-CABCVRRESA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001664687164 1172886709 /nfs/dbraw/zinc/88/67/09/1172886709.db2.gz PYQGIRUTADUYQS-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001664687164 1172886716 /nfs/dbraw/zinc/88/67/16/1172886716.db2.gz PYQGIRUTADUYQS-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001664687164 1172886720 /nfs/dbraw/zinc/88/67/20/1172886720.db2.gz PYQGIRUTADUYQS-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001664817034 1172914878 /nfs/dbraw/zinc/91/48/78/1172914878.db2.gz BBDWUAIGOWERNH-CABCVRRESA-N 2 1 281.444 1.539 10 30 CDEEMP C=CC[C@]1(C(=O)N(C)CC[N@@H+](C)C2CC2)CCC[NH2+]1 ZINC000662803080 413521578 /nfs/dbraw/zinc/52/15/78/413521578.db2.gz VDVZMHYBOSDYNH-OAHLLOKOSA-N 2 1 265.401 1.237 10 30 CDEEMP CC[C@@H]1COCC[N@@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683764 175091765 /nfs/dbraw/zinc/09/17/65/175091765.db2.gz ZVAZKUYVKBAMCQ-CYBMUJFWSA-N 2 1 264.394 1.669 10 30 CDEEMP CC[C@@H]1COCC[N@H+]1Cc1sccc1C#CC[NH3+] ZINC000043683764 175091766 /nfs/dbraw/zinc/09/17/66/175091766.db2.gz ZVAZKUYVKBAMCQ-CYBMUJFWSA-N 2 1 264.394 1.669 10 30 CDEEMP COC[C@H](C)[N@@H+](C)Cc1ccc(C#CC[NH3+])s1 ZINC000043683830 175091993 /nfs/dbraw/zinc/09/19/93/175091993.db2.gz TZVREHYKAUWOQS-NSHDSACASA-N 2 1 252.383 1.525 10 30 CDEEMP C[N@H+]1CCCN(Cc2sccc2C#CC[NH3+])CC1 ZINC000043683574 175092230 /nfs/dbraw/zinc/09/22/30/175092230.db2.gz KLJZNOKUMDOJKX-UHFFFAOYSA-N 2 1 263.410 1.196 10 30 CDEEMP CN1CCC[N@H+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683574 175092231 /nfs/dbraw/zinc/09/22/31/175092231.db2.gz KLJZNOKUMDOJKX-UHFFFAOYSA-N 2 1 263.410 1.196 10 30 CDEEMP CN1CCC[N@@H+](Cc2sccc2C#CC[NH3+])CC1 ZINC000043683574 175092232 /nfs/dbraw/zinc/09/22/32/175092232.db2.gz KLJZNOKUMDOJKX-UHFFFAOYSA-N 2 1 263.410 1.196 10 30 CDEEMP CCN[C@@](C)(C#N)CCC[N@H+](C)C1CC[NH+](C)CC1 ZINC000045307873 175356423 /nfs/dbraw/zinc/35/64/23/175356423.db2.gz CUWAUQISJISVGE-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP CCN[C@@](C)(C#N)CCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000045307873 175356424 /nfs/dbraw/zinc/35/64/24/175356424.db2.gz CUWAUQISJISVGE-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP C[N@@H+](Cc1ccc(C#CCO)s1)C[C@H]1CC[NH+](C)C1 ZINC000071190493 176066906 /nfs/dbraw/zinc/06/69/06/176066906.db2.gz OSBKLHRLDDUMFE-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCO)s1)C[C@H]1CC[NH+](C)C1 ZINC000071190493 176066908 /nfs/dbraw/zinc/06/69/08/176066908.db2.gz OSBKLHRLDDUMFE-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)s1)C[C@H]1CC[N@H+](C)C1 ZINC000071190493 176066909 /nfs/dbraw/zinc/06/69/09/176066909.db2.gz OSBKLHRLDDUMFE-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)s1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190493 176066910 /nfs/dbraw/zinc/06/69/10/176066910.db2.gz OSBKLHRLDDUMFE-ZDUSSCGKSA-N 2 1 278.421 1.475 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=[NH2+])N1CCSCC1 ZINC000160812977 264262023 /nfs/dbraw/zinc/26/20/23/264262023.db2.gz FBSUVVHCFYVBIS-AWEZNQCLSA-N 2 1 298.500 1.860 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001667092659 1173233406 /nfs/dbraw/zinc/23/34/06/1173233406.db2.gz MOKVBSIILXMYBT-CQSZACIVSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001667549162 1173286761 /nfs/dbraw/zinc/28/67/61/1173286761.db2.gz LUZDOKXOBYZSNX-LSDHHAIUSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001667549162 1173286768 /nfs/dbraw/zinc/28/67/68/1173286768.db2.gz LUZDOKXOBYZSNX-LSDHHAIUSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001667549162 1173286776 /nfs/dbraw/zinc/28/67/76/1173286776.db2.gz LUZDOKXOBYZSNX-LSDHHAIUSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001667549162 1173286782 /nfs/dbraw/zinc/28/67/82/1173286782.db2.gz LUZDOKXOBYZSNX-LSDHHAIUSA-N 2 1 297.443 1.062 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC(C)C ZINC001669320011 1173536591 /nfs/dbraw/zinc/53/65/91/1173536591.db2.gz AAMJGSIUNRWBKQ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCCC(C)C ZINC001669320011 1173536597 /nfs/dbraw/zinc/53/65/97/1173536597.db2.gz AAMJGSIUNRWBKQ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001670041388 1173648029 /nfs/dbraw/zinc/64/80/29/1173648029.db2.gz ANLPYURLWUJJTE-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+]1CCC(C)(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001671846801 1173716177 /nfs/dbraw/zinc/71/61/77/1173716177.db2.gz OJBVGBVNNYWOJR-UHFFFAOYSA-N 2 1 290.411 1.596 10 30 CDEEMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262476444 330016188 /nfs/dbraw/zinc/01/61/88/330016188.db2.gz QHKZFGCMXDBSFP-LSDHHAIUSA-N 2 1 296.459 1.532 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001691458511 1159319754 /nfs/dbraw/zinc/31/97/54/1159319754.db2.gz WPJZSKXWDSQMQB-YHUYYLMFSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733040892 1160468135 /nfs/dbraw/zinc/46/81/35/1160468135.db2.gz KOZGYFZNXUILLT-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482923856 1160646408 /nfs/dbraw/zinc/64/64/08/1160646408.db2.gz HLXKTGZLIHUBDV-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001707442187 1178046652 /nfs/dbraw/zinc/04/66/52/1178046652.db2.gz YECRJFJGSDGPAA-GJZGRUSLSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CN(C)C(=O)CC[N@H+](C)CCC ZINC001691674339 1161556265 /nfs/dbraw/zinc/55/62/65/1161556265.db2.gz CNXQBPAUMRCNTC-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001691674339 1161556271 /nfs/dbraw/zinc/55/62/71/1161556271.db2.gz CNXQBPAUMRCNTC-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)CC[NH+](C)CCC ZINC001691674339 1161556278 /nfs/dbraw/zinc/55/62/78/1161556278.db2.gz CNXQBPAUMRCNTC-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001715319072 1179621082 /nfs/dbraw/zinc/62/10/82/1179621082.db2.gz FUZMPHKNYASEDE-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001717208656 1180576407 /nfs/dbraw/zinc/57/64/07/1180576407.db2.gz HQOFGXYBCAHMMA-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001731866382 1182637241 /nfs/dbraw/zinc/63/72/41/1182637241.db2.gz IUGYDUYFRSEGIE-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP COc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1C#CC[NH3+] ZINC000049608326 524029393 /nfs/dbraw/zinc/02/93/93/524029393.db2.gz UZKHLRNPXLFQAQ-HNNXBMFYSA-N 2 1 288.391 1.210 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@H](O)C2)c(F)c1 ZINC000049609811 527149208 /nfs/dbraw/zinc/14/92/08/527149208.db2.gz PPWZUYVRACNHAY-AWEZNQCLSA-N 2 1 262.328 1.093 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C(C)C)C1 ZINC001688911203 1175064581 /nfs/dbraw/zinc/06/45/81/1175064581.db2.gz DJCCQQUVQGYWOU-OKILXGFUSA-N 2 1 288.395 1.124 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001689059465 1175091178 /nfs/dbraw/zinc/09/11/78/1175091178.db2.gz ZUZKZXYNAFYNIS-HZPDHXFCSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000900994101 623811137 /nfs/dbraw/zinc/81/11/37/623811137.db2.gz FZQNWKAKIUEFBZ-OLZOCXBDSA-N 2 1 265.401 1.236 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000876984992 630588843 /nfs/dbraw/zinc/58/88/43/630588843.db2.gz RPJZGJWSMTXZAC-LLVKDONJSA-N 2 1 275.824 1.693 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CCC)C1 ZINC001691166024 1158941667 /nfs/dbraw/zinc/94/16/67/1158941667.db2.gz KOVPKYCQJXLSOR-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001691166024 1158941669 /nfs/dbraw/zinc/94/16/69/1158941669.db2.gz KOVPKYCQJXLSOR-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CCC)C1 ZINC001691166024 1158941671 /nfs/dbraw/zinc/94/16/71/1158941671.db2.gz KOVPKYCQJXLSOR-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001691170496 1158942859 /nfs/dbraw/zinc/94/28/59/1158942859.db2.gz CNNIBGWTANMZGN-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+](C)CCC ZINC001691410659 1159060805 /nfs/dbraw/zinc/06/08/05/1159060805.db2.gz RMYRVDMYNHUQFP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001691410659 1159060813 /nfs/dbraw/zinc/06/08/13/1159060813.db2.gz RMYRVDMYNHUQFP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+](C)CCC ZINC001691410659 1159060821 /nfs/dbraw/zinc/06/08/21/1159060821.db2.gz RMYRVDMYNHUQFP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001691845617 1161489919 /nfs/dbraw/zinc/48/99/19/1161489919.db2.gz HXDLEPOLRHTBHS-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691845617 1161489923 /nfs/dbraw/zinc/48/99/23/1161489923.db2.gz HXDLEPOLRHTBHS-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001691845617 1161489927 /nfs/dbraw/zinc/48/99/27/1161489927.db2.gz HXDLEPOLRHTBHS-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NCC[N@H+](C)[C@H](C)CC ZINC000876750682 1165910157 /nfs/dbraw/zinc/91/01/57/1165910157.db2.gz XXZSKSDWZLDBQW-MNOVXSKESA-N 2 1 261.797 1.303 10 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1168424664 /nfs/dbraw/zinc/42/46/64/1168424664.db2.gz IMVONDSAKALNKN-XCNQMYHQSA-N 2 1 295.814 1.073 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001567137019 1168591389 /nfs/dbraw/zinc/59/13/89/1168591389.db2.gz GFRNFNPDKJXPRT-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001569329716 1169767776 /nfs/dbraw/zinc/76/77/76/1169767776.db2.gz SMURTDJWSNGUFZ-CABCVRRESA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001571494124 1170453532 /nfs/dbraw/zinc/45/35/32/1170453532.db2.gz ZVBAWAYBQPYIJL-QWHCGFSZSA-N 2 1 253.390 1.092 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001667117972 1173236057 /nfs/dbraw/zinc/23/60/57/1173236057.db2.gz HWVHHYWICMEGDL-HUUCEWRRSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[NH2+]C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001669361110 1173540566 /nfs/dbraw/zinc/54/05/66/1173540566.db2.gz KRJOHPYEEWWZAZ-CQSZACIVSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001672826752 1173802819 /nfs/dbraw/zinc/80/28/19/1173802819.db2.gz ZVMPMKPADWDKBL-AWEZNQCLSA-N 2 1 276.384 1.206 10 30 CDEEMP C=CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001675222919 1174086504 /nfs/dbraw/zinc/08/65/04/1174086504.db2.gz VLUBPASZAKNOAE-QLFBSQMISA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001689840832 1175281383 /nfs/dbraw/zinc/28/13/83/1175281383.db2.gz OGOLTKFXPQEUFL-LBPRGKRZSA-N 2 1 275.824 1.517 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@H](CC)[NH+](C)C ZINC001689840832 1175281393 /nfs/dbraw/zinc/28/13/93/1175281393.db2.gz OGOLTKFXPQEUFL-LBPRGKRZSA-N 2 1 275.824 1.517 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC(C)(C)C ZINC001690587062 1175514042 /nfs/dbraw/zinc/51/40/42/1175514042.db2.gz KFYLGWNRJBJFMU-CABCVRRESA-N 2 1 293.455 1.615 10 30 CDEEMP 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C=CC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001700275164 1176827823 /nfs/dbraw/zinc/82/78/23/1176827823.db2.gz RNVUSPXZUPJHAA-KGLIPLIRSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001700556341 1177012601 /nfs/dbraw/zinc/01/26/01/1177012601.db2.gz YEMIQZCCYCETHO-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707089738 1177949650 /nfs/dbraw/zinc/94/96/50/1177949650.db2.gz OPDIZJQZBNVGGC-BZUAXINKSA-N 2 1 293.455 1.779 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707089739 1177949930 /nfs/dbraw/zinc/94/99/30/1177949930.db2.gz OPDIZJQZBNVGGC-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C[C@H](C)CC ZINC001712952802 1178265600 /nfs/dbraw/zinc/26/56/00/1178265600.db2.gz UBCSKFLVLGYHNE-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C[C@H](C)CC ZINC001712952802 1178265609 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C#CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001713135522 1178390645 /nfs/dbraw/zinc/39/06/45/1178390645.db2.gz LPFHWPFYOMQUAJ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001713150314 1178397186 /nfs/dbraw/zinc/39/71/86/1178397186.db2.gz BEABMXSGIGQARX-HNNXBMFYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCC[N@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713396151 1178534797 /nfs/dbraw/zinc/53/47/97/1178534797.db2.gz WIBAVFDZEJESQA-HNNXBMFYSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530679 1178629327 /nfs/dbraw/zinc/62/93/27/1178629327.db2.gz KHFXGDZOCCTQAY-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713926904 1178853675 /nfs/dbraw/zinc/85/36/75/1178853675.db2.gz AYEOTISHIOQYTI-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001714169298 1179000377 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CC#CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001715159982 1179566411 /nfs/dbraw/zinc/56/64/11/1179566411.db2.gz IKTNAZZKJYYLES-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001715161501 1179566819 /nfs/dbraw/zinc/56/68/19/1179566819.db2.gz ZRPATKLYELDJSP-HZPDHXFCSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](C)CC ZINC001716221890 1180108897 /nfs/dbraw/zinc/10/88/97/1180108897.db2.gz FHKOMJDWJOUJOB-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]C[C@@H](C)CC ZINC001716221890 1180108901 /nfs/dbraw/zinc/10/89/01/1180108901.db2.gz FHKOMJDWJOUJOB-HOTGVXAUSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001716618750 1180309131 /nfs/dbraw/zinc/30/91/31/1180309131.db2.gz KCPAEWAIDKXDSU-CWRNSKLLSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001716687890 1180371554 /nfs/dbraw/zinc/37/15/54/1180371554.db2.gz MEYOFDMJHAEGBK-CYBMUJFWSA-N 2 1 290.411 1.785 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001716769664 1180406800 /nfs/dbraw/zinc/40/68/00/1180406800.db2.gz DNORSLSSEOEJKG-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001716965220 1180483953 /nfs/dbraw/zinc/48/39/53/1180483953.db2.gz CXVQPARYHHGWOP-HUUCEWRRSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCCC[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]2C1 ZINC001717014445 1180502123 /nfs/dbraw/zinc/50/21/23/1180502123.db2.gz SIQSYIHJHUNBFA-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001717014445 1180502130 /nfs/dbraw/zinc/50/21/30/1180502130.db2.gz SIQSYIHJHUNBFA-IYBDPMFKSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CCC)C[C@H]2C1 ZINC001717014445 1180502137 /nfs/dbraw/zinc/50/21/37/1180502137.db2.gz SIQSYIHJHUNBFA-IYBDPMFKSA-N 2 1 293.455 1.685 10 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CC#CC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001723721304 1181596198 /nfs/dbraw/zinc/59/61/98/1181596198.db2.gz LNLFEJGHONZQMM-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001725042878 1181833292 /nfs/dbraw/zinc/83/32/92/1181833292.db2.gz QPTAIXHRGSPZOL-HOTGVXAUSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001725042878 1181833295 /nfs/dbraw/zinc/83/32/95/1181833295.db2.gz QPTAIXHRGSPZOL-HOTGVXAUSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001725042878 1181833301 /nfs/dbraw/zinc/83/33/01/1181833301.db2.gz QPTAIXHRGSPZOL-HOTGVXAUSA-N 2 1 293.455 1.968 10 30 CDEEMP C=C(C)CC[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001725071886 1181845125 /nfs/dbraw/zinc/84/51/25/1181845125.db2.gz PPDGAABTVZUFAF-FHERZECASA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001725118225 1181871146 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CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001732422679 1182958121 /nfs/dbraw/zinc/95/81/21/1182958121.db2.gz JVTQZDQWSRLIGN-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001732550628 1183004099 /nfs/dbraw/zinc/00/40/99/1183004099.db2.gz AMDNVUGHGCUIKR-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001732550628 1183004105 /nfs/dbraw/zinc/00/41/05/1183004105.db2.gz AMDNVUGHGCUIKR-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732550628 1183004109 /nfs/dbraw/zinc/00/41/09/1183004109.db2.gz AMDNVUGHGCUIKR-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C(C)C ZINC001732554163 1183006370 /nfs/dbraw/zinc/00/63/70/1183006370.db2.gz RGSWDJYIMVSLKX-LSDHHAIUSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C(C)C ZINC001732554163 1183006377 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293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001733414257 1183425946 /nfs/dbraw/zinc/42/59/46/1183425946.db2.gz VWVRLLXGEAPNGL-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001733414257 1183425947 /nfs/dbraw/zinc/42/59/47/1183425947.db2.gz VWVRLLXGEAPNGL-RDJZCZTQSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001733605145 1183478092 /nfs/dbraw/zinc/47/80/92/1183478092.db2.gz ZXJBMNXFOFTJBW-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001733605145 1183478095 /nfs/dbraw/zinc/47/80/95/1183478095.db2.gz ZXJBMNXFOFTJBW-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001733605145 1183478097 /nfs/dbraw/zinc/47/80/97/1183478097.db2.gz ZXJBMNXFOFTJBW-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001733672668 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10 30 CDEEMP CC#CC[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001734242546 1183702417 /nfs/dbraw/zinc/70/24/17/1183702417.db2.gz WRGRBCCSOSMING-CQSZACIVSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001734273930 1183709952 /nfs/dbraw/zinc/70/99/52/1183709952.db2.gz CFHMQKUZBCPDFA-UHFFFAOYSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)CCC)CCC[C@H]12 ZINC001734439271 1183779322 /nfs/dbraw/zinc/77/93/22/1183779322.db2.gz KCVHXOPMAXHFGT-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001734439271 1183779325 /nfs/dbraw/zinc/77/93/25/1183779325.db2.gz KCVHXOPMAXHFGT-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)CCC)CCC[C@H]12 ZINC001734439271 1183779328 /nfs/dbraw/zinc/77/93/28/1183779328.db2.gz KCVHXOPMAXHFGT-HOCLYGCPSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@H+](C)CCN(CC)C(=O)CC[NH+]1CC[C@H](F)C1 ZINC001626754759 1165955522 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C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001567256654 1168641866 /nfs/dbraw/zinc/64/18/66/1168641866.db2.gz HUYBVLXKHUNLCG-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001567256654 1168641870 /nfs/dbraw/zinc/64/18/70/1168641870.db2.gz HUYBVLXKHUNLCG-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001567266861 1168643961 /nfs/dbraw/zinc/64/39/61/1168643961.db2.gz QGYMPAHLLUDUIW-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567266861 1168643963 /nfs/dbraw/zinc/64/39/63/1168643963.db2.gz QGYMPAHLLUDUIW-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001567266861 1168643966 /nfs/dbraw/zinc/64/39/66/1168643966.db2.gz QGYMPAHLLUDUIW-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001567439146 1168760325 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C=CCCC[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485373764 916908142 /nfs/dbraw/zinc/90/81/42/916908142.db2.gz WHTHUPAWQQEMPG-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373764 916908150 /nfs/dbraw/zinc/90/81/50/916908150.db2.gz WHTHUPAWQQEMPG-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373764 916908159 /nfs/dbraw/zinc/90/81/59/916908159.db2.gz WHTHUPAWQQEMPG-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001273473801 917682660 /nfs/dbraw/zinc/68/26/60/917682660.db2.gz CIAIAMZLESPVBP-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473801 917682670 /nfs/dbraw/zinc/68/26/70/917682670.db2.gz CIAIAMZLESPVBP-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473801 917682681 /nfs/dbraw/zinc/68/26/81/917682681.db2.gz CIAIAMZLESPVBP-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485922655 920578890 /nfs/dbraw/zinc/57/88/90/920578890.db2.gz PCDVAZZUGPJSPK-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001490903170 936687004 /nfs/dbraw/zinc/68/70/04/936687004.db2.gz OWIKYOIXDMALIL-KKUMJFAQSA-N 2 1 279.428 1.674 10 30 CDEEMP C#C[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCCO1 ZINC000775350668 921835842 /nfs/dbraw/zinc/83/58/42/921835842.db2.gz POLYYJOUCVBORX-DLBZAZTESA-N 2 1 296.374 1.846 10 30 CDEEMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478656 923867120 /nfs/dbraw/zinc/86/71/20/923867120.db2.gz FQEKOBSLSGZMQP-DZGCQCFKSA-N 2 1 287.363 1.443 10 30 CDEEMP COC(=O)[C@@H](c1ccc(C#N)cc1)[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000923478656 923867127 /nfs/dbraw/zinc/86/71/27/923867127.db2.gz FQEKOBSLSGZMQP-DZGCQCFKSA-N 2 1 287.363 1.443 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@H]1CCC[N@H+]1C ZINC001273298041 925759898 /nfs/dbraw/zinc/75/98/98/925759898.db2.gz HFWHLIPPYWITKT-GFCCVEGCSA-N 2 1 273.808 1.271 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cc1cnc[nH]1 ZINC001488666973 926643602 /nfs/dbraw/zinc/64/36/02/926643602.db2.gz JVGFFSAJXGTOAL-CYBMUJFWSA-N 2 1 262.357 1.061 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001490711655 927296367 /nfs/dbraw/zinc/29/63/67/927296367.db2.gz ZNZWOJZOAMDWNY-RISCZKNCSA-N 2 1 299.846 1.565 10 30 CDEEMP CC(C)([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C#N)c1 ZINC000852354446 927776972 /nfs/dbraw/zinc/77/69/72/927776972.db2.gz POIOQLUOXMFZBE-INIZCTEOSA-N 2 1 287.407 1.840 10 30 CDEEMP C#C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417600 929414687 /nfs/dbraw/zinc/41/46/87/929414687.db2.gz AYXRTPNRSWSVQM-LSDHHAIUSA-N 2 1 264.413 1.877 10 30 CDEEMP C#C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C1CCOCC1 ZINC000862417600 929414692 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ZINC001317100468 957269224 /nfs/dbraw/zinc/26/92/24/957269224.db2.gz RHWLLTDEOKMGII-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100468 957269229 /nfs/dbraw/zinc/26/92/29/957269229.db2.gz RHWLLTDEOKMGII-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100468 957269234 /nfs/dbraw/zinc/26/92/34/957269234.db2.gz RHWLLTDEOKMGII-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001331929399 957343930 /nfs/dbraw/zinc/34/39/30/957343930.db2.gz QYEFVGMIQCKVRI-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001317934355 957824313 /nfs/dbraw/zinc/82/43/13/957824313.db2.gz WAJVFRWZKLWELM-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001317934355 957824324 /nfs/dbraw/zinc/82/43/24/957824324.db2.gz WAJVFRWZKLWELM-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP CC#CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317934355 957824334 /nfs/dbraw/zinc/82/43/34/957824334.db2.gz WAJVFRWZKLWELM-CQSZACIVSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001367221189 957851722 /nfs/dbraw/zinc/85/17/22/957851722.db2.gz QKFYBJCPKBXERK-TZMCWYRMSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)[C@H](C)Cc1cnc[nH]1 ZINC001319255911 958459841 /nfs/dbraw/zinc/45/98/41/958459841.db2.gz BMLPSTFIRYDJBP-QWHCGFSZSA-N 2 1 278.400 1.506 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001321628165 959879405 /nfs/dbraw/zinc/87/94/05/959879405.db2.gz RNLDUPVUBDLZRK-TZMCWYRMSA-N 2 1 290.411 1.424 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001322194318 960127162 /nfs/dbraw/zinc/12/71/62/960127162.db2.gz RBIQUUONOHBXNV-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001322194318 960127168 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C=C(Cl)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001449020084 967336835 /nfs/dbraw/zinc/33/68/35/967336835.db2.gz XTSVOSNNCWEPIU-UKRRQHHQSA-N 2 1 299.846 1.804 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC001544454097 967360815 /nfs/dbraw/zinc/36/08/15/967360815.db2.gz ASPVZKIBDMAKBA-UONOGXRCSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC001522417814 970430980 /nfs/dbraw/zinc/43/09/80/970430980.db2.gz MHDGFOITZDHZIH-IHRRRGAJSA-N 2 1 265.401 1.365 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)CC(C)C ZINC001496277121 972869367 /nfs/dbraw/zinc/86/93/67/972869367.db2.gz WIHPTLLIDYVDTQ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC)CC(C)C ZINC001496277121 972869377 /nfs/dbraw/zinc/86/93/77/972869377.db2.gz WIHPTLLIDYVDTQ-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001496285481 972873417 /nfs/dbraw/zinc/87/34/17/972873417.db2.gz PTSRKYRKHJFRNC-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001496370964 972901217 /nfs/dbraw/zinc/90/12/17/972901217.db2.gz XEMAPZPNLGMOBR-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001497502314 973370460 /nfs/dbraw/zinc/37/04/60/973370460.db2.gz JMDQHXYEOAZWHZ-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001497502314 973370463 /nfs/dbraw/zinc/37/04/63/973370463.db2.gz JMDQHXYEOAZWHZ-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=CCCC[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001497749613 973487533 /nfs/dbraw/zinc/48/75/33/973487533.db2.gz JWQHBXDHDAXATD-AFNCTOJWSA-N 2 1 265.401 1.166 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001569707440 1169970650 /nfs/dbraw/zinc/97/06/50/1169970650.db2.gz ZKNKTFRESNBRHP-UHFFFAOYSA-N 2 1 288.395 1.043 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001502147761 974706665 /nfs/dbraw/zinc/70/66/65/974706665.db2.gz PMWHTPSMQMPFOI-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001502147761 974706670 /nfs/dbraw/zinc/70/66/70/974706670.db2.gz PMWHTPSMQMPFOI-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001502147761 974706674 /nfs/dbraw/zinc/70/66/74/974706674.db2.gz PMWHTPSMQMPFOI-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)CC[N@H+](C)CCC)CCCCC1 ZINC001506521847 975173727 /nfs/dbraw/zinc/17/37/27/975173727.db2.gz ICNBPMWMLKURMJ-UHFFFAOYSA-N 2 1 293.455 1.760 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001506906009 975253227 /nfs/dbraw/zinc/25/32/27/975253227.db2.gz FPLANOYDIWRTJG-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(Cl)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001381939962 977088728 /nfs/dbraw/zinc/08/87/28/977088728.db2.gz UIVDUDCOLWXOPM-ZSOGYDGISA-N 2 1 299.846 1.373 10 30 CDEEMP C=C(Cl)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001381939962 977088738 /nfs/dbraw/zinc/08/87/38/977088738.db2.gz UIVDUDCOLWXOPM-ZSOGYDGISA-N 2 1 299.846 1.373 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001382118864 977174019 /nfs/dbraw/zinc/17/40/19/977174019.db2.gz JEZBLONBRSEWGE-DGCLKSJQSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001674154541 1173919408 /nfs/dbraw/zinc/91/94/08/1173919408.db2.gz LZQYKLIVEUKVBK-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154541 1173919416 /nfs/dbraw/zinc/91/94/16/1173919416.db2.gz LZQYKLIVEUKVBK-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674154541 1173919420 /nfs/dbraw/zinc/91/94/20/1173919420.db2.gz LZQYKLIVEUKVBK-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001569987197 1170054095 /nfs/dbraw/zinc/05/40/95/1170054095.db2.gz OFBSXAWBSFZOJM-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]C1CCC(N(C)C(=O)CC[N@H+](C)CCC)CC1 ZINC001570666303 1170226583 /nfs/dbraw/zinc/22/65/83/1170226583.db2.gz XKWAMPLKASILLC-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[N@H+](C)CC)CCO1 ZINC001571003084 1170328218 /nfs/dbraw/zinc/32/82/18/1170328218.db2.gz WXZCSGBIRNNRFA-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001571023429 1170329776 /nfs/dbraw/zinc/32/97/76/1170329776.db2.gz QKCHDNVCZCAOBP-ARFHVFGLSA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001571023429 1170329780 /nfs/dbraw/zinc/32/97/80/1170329780.db2.gz QKCHDNVCZCAOBP-ARFHVFGLSA-N 2 1 291.439 1.177 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001571023429 1170329788 /nfs/dbraw/zinc/32/97/88/1170329788.db2.gz QKCHDNVCZCAOBP-ARFHVFGLSA-N 2 1 291.439 1.177 10 30 CDEEMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437778 342905977 /nfs/dbraw/zinc/90/59/77/342905977.db2.gz FJPXHOJHUOJZLZ-AWEZNQCLSA-N 2 1 291.399 1.499 10 30 CDEEMP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)C[N@H+]1C1CC1 ZINC000594438605 342906446 /nfs/dbraw/zinc/90/64/46/342906446.db2.gz KOCUCSPXCWUGHY-YRGRVCCFSA-N 2 1 278.400 1.139 10 30 CDEEMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600729790 342245614 /nfs/dbraw/zinc/24/56/14/342245614.db2.gz HXZRZLCTQPMNQH-HUUCEWRRSA-N 2 1 279.428 1.609 10 30 CDEEMP CCO[C@@H]1C[N@H+](Cc2ccc(C#N)c(OC)c2)C[C@H]1C[NH3+] ZINC000405462124 349791969 /nfs/dbraw/zinc/79/19/69/349791969.db2.gz RIRLEXQJDQLLDU-GDBMZVCRSA-N 2 1 289.379 1.362 10 30 CDEEMP CCO[C@@H]1C[N@@H+](Cc2ccc(C#N)c(OC)c2)C[C@H]1C[NH3+] ZINC000405462124 349791972 /nfs/dbraw/zinc/79/19/72/349791972.db2.gz RIRLEXQJDQLLDU-GDBMZVCRSA-N 2 1 289.379 1.362 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000595908175 343188993 /nfs/dbraw/zinc/18/89/93/343188993.db2.gz ZKINSSOEPOBGPG-QLFBSQMISA-N 2 1 265.401 1.721 10 30 CDEEMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000595908175 343188994 /nfs/dbraw/zinc/18/89/94/343188994.db2.gz ZKINSSOEPOBGPG-QLFBSQMISA-N 2 1 265.401 1.721 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001660202897 1172175514 /nfs/dbraw/zinc/17/55/14/1172175514.db2.gz DTCIZAOBBMHMGG-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001660202897 1172175516 /nfs/dbraw/zinc/17/55/16/1172175516.db2.gz DTCIZAOBBMHMGG-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001660202897 1172175519 /nfs/dbraw/zinc/17/55/19/1172175519.db2.gz DTCIZAOBBMHMGG-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001662899204 1172611730 /nfs/dbraw/zinc/61/17/30/1172611730.db2.gz SGBHJXCSFVASHQ-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001663547159 1172719380 /nfs/dbraw/zinc/71/93/80/1172719380.db2.gz AMPKREHEEVAWRY-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001663547159 1172719390 /nfs/dbraw/zinc/71/93/90/1172719390.db2.gz AMPKREHEEVAWRY-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001663547159 1172719398 /nfs/dbraw/zinc/71/93/98/1172719398.db2.gz AMPKREHEEVAWRY-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001664534810 1172865389 /nfs/dbraw/zinc/86/53/89/1172865389.db2.gz OIVLNMGXRMMVRO-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)CCC[NH2+]1 ZINC000662682244 413307826 /nfs/dbraw/zinc/30/78/26/413307826.db2.gz OYUDYHLYTUNPEM-OFQRWUPVSA-N 2 1 277.412 1.428 10 30 CDEEMP CCC[N@H+](CC(=O)NC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689054 175095498 /nfs/dbraw/zinc/09/54/98/175095498.db2.gz SPYWAFZPZKVOCN-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP CCC[N@@H+](CC(=O)NC)Cc1cc(C#CC[NH3+])cs1 ZINC000043689054 175095499 /nfs/dbraw/zinc/09/54/99/175095499.db2.gz SPYWAFZPZKVOCN-UHFFFAOYSA-N 2 1 279.409 1.016 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCC[C@H]2CO)c1 ZINC000043689005 175095523 /nfs/dbraw/zinc/09/55/23/175095523.db2.gz ZHQYUITUKGSNHJ-LBPRGKRZSA-N 2 1 250.367 1.015 10 30 CDEEMP CCCC[N@H+](CC(N)=O)Cc1cc(C#CC[NH3+])cs1 ZINC000043689122 175096205 /nfs/dbraw/zinc/09/62/05/175096205.db2.gz GAPYQFWHNBYDPQ-UHFFFAOYSA-N 2 1 279.409 1.146 10 30 CDEEMP CCCC[N@@H+](CC(N)=O)Cc1cc(C#CC[NH3+])cs1 ZINC000043689122 175096206 /nfs/dbraw/zinc/09/62/06/175096206.db2.gz GAPYQFWHNBYDPQ-UHFFFAOYSA-N 2 1 279.409 1.146 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)C ZINC001667467830 1173272270 /nfs/dbraw/zinc/27/22/70/1173272270.db2.gz CBTFWQDPMJXSRT-MCIONIFRSA-N 2 1 290.411 1.820 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001670275648 1173669444 /nfs/dbraw/zinc/66/94/44/1173669444.db2.gz OJIBNSYIHXVRCE-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001670275649 1173669954 /nfs/dbraw/zinc/66/99/54/1173669954.db2.gz OJIBNSYIHXVRCE-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001671675076 1173702674 /nfs/dbraw/zinc/70/26/74/1173702674.db2.gz SPLTYFJOVDYMCM-GDBMZVCRSA-N 2 1 288.395 1.438 10 30 CDEEMP CN(CCC#N)C(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452099563 331054245 /nfs/dbraw/zinc/05/42/45/331054245.db2.gz XESBKXJKYWSWEL-UHFFFAOYSA-N 2 1 280.416 1.213 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001698587027 1175857619 /nfs/dbraw/zinc/85/76/19/1175857619.db2.gz MJMIYTXANGSIQI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001698587027 1175857625 /nfs/dbraw/zinc/85/76/25/1175857625.db2.gz MJMIYTXANGSIQI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001698587027 1175857631 /nfs/dbraw/zinc/85/76/31/1175857631.db2.gz MJMIYTXANGSIQI-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001267593552 1159495922 /nfs/dbraw/zinc/49/59/22/1159495922.db2.gz NGQLFJMHAKNWEL-HNNXBMFYSA-N 2 1 291.439 1.439 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H]1CC ZINC001691499244 1159846979 /nfs/dbraw/zinc/84/69/79/1159846979.db2.gz SPXNUWUCJPENPQ-RRFJBIMHSA-N 2 1 281.444 1.728 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000684628552 482919792 /nfs/dbraw/zinc/91/97/92/482919792.db2.gz QEUMHIJSMRHVFB-AWEZNQCLSA-N 2 1 277.368 1.149 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001691679081 1161560011 /nfs/dbraw/zinc/56/00/11/1161560011.db2.gz RFUVRUFWMDTORL-CABCVRRESA-N 2 1 279.428 1.437 10 30 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CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001714451637 1179145217 /nfs/dbraw/zinc/14/52/17/1179145217.db2.gz BMRRMKZJYIQBFY-LSDHHAIUSA-N 2 1 297.443 1.015 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001714451637 1179145219 /nfs/dbraw/zinc/14/52/19/1179145219.db2.gz BMRRMKZJYIQBFY-LSDHHAIUSA-N 2 1 297.443 1.015 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1 ZINC001714849309 1179419294 /nfs/dbraw/zinc/41/92/94/1179419294.db2.gz WFPKOFIJRSEMGD-QGZVFWFLSA-N 2 1 299.418 1.551 10 30 CDEEMP C=CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C ZINC001715741691 1179787102 /nfs/dbraw/zinc/78/71/02/1179787102.db2.gz DWQPEWDIAFGTAR-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001716466018 1180226019 /nfs/dbraw/zinc/22/60/19/1180226019.db2.gz SSBXYLKCJLULEH-DZGCQCFKSA-N 2 1 275.396 1.570 10 30 CDEEMP C#CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001716695589 1180375146 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C=CCCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001717497661 1180709888 /nfs/dbraw/zinc/70/98/88/1180709888.db2.gz HJGXSHFKXUUMSH-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001717497661 1180709897 /nfs/dbraw/zinc/70/98/97/1180709897.db2.gz HJGXSHFKXUUMSH-UONOGXRCSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001717604358 1180755765 /nfs/dbraw/zinc/75/57/65/1180755765.db2.gz RESCLHVNRVEHBS-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001717604358 1180755771 /nfs/dbraw/zinc/75/57/71/1180755771.db2.gz RESCLHVNRVEHBS-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001717604358 1180755772 /nfs/dbraw/zinc/75/57/72/1180755772.db2.gz RESCLHVNRVEHBS-QKDCVEJESA-N 2 1 279.428 1.198 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001722917799 1181494338 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30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC(C)C ZINC001731248834 1182275642 /nfs/dbraw/zinc/27/56/42/1182275642.db2.gz RRMPXPKDTOZRMX-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC(C)C ZINC001731248834 1182275649 /nfs/dbraw/zinc/27/56/49/1182275649.db2.gz RRMPXPKDTOZRMX-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731446611 1182390773 /nfs/dbraw/zinc/39/07/73/1182390773.db2.gz GANKNVIOXBIRNT-MGPQQGTHSA-N 2 1 265.401 1.284 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001731720687 1182531617 /nfs/dbraw/zinc/53/16/17/1182531617.db2.gz STKWZTOEVFNPJF-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001731720687 1182531622 /nfs/dbraw/zinc/53/16/22/1182531622.db2.gz STKWZTOEVFNPJF-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001732049357 1182741210 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30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001733065238 1183273403 /nfs/dbraw/zinc/27/34/03/1183273403.db2.gz BQGXRJSYRJPDEM-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001733065238 1183273407 /nfs/dbraw/zinc/27/34/07/1183273407.db2.gz BQGXRJSYRJPDEM-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001733065238 1183273411 /nfs/dbraw/zinc/27/34/11/1183273411.db2.gz BQGXRJSYRJPDEM-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001733771400 1183527577 /nfs/dbraw/zinc/52/75/77/1183527577.db2.gz AOFPSCOQQGRCRW-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001733771400 1183527580 /nfs/dbraw/zinc/52/75/80/1183527580.db2.gz AOFPSCOQQGRCRW-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001733771400 1183527582 /nfs/dbraw/zinc/52/75/82/1183527582.db2.gz AOFPSCOQQGRCRW-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)CC[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001733771400 1183527583 /nfs/dbraw/zinc/52/75/83/1183527583.db2.gz AOFPSCOQQGRCRW-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C(C)(C)C1 ZINC001733876051 1183557109 /nfs/dbraw/zinc/55/71/09/1183557109.db2.gz SOHSLABGCOPJQE-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001733876051 1183557113 /nfs/dbraw/zinc/55/71/13/1183557113.db2.gz SOHSLABGCOPJQE-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001733876051 1183557116 /nfs/dbraw/zinc/55/71/16/1183557116.db2.gz SOHSLABGCOPJQE-HNNXBMFYSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001734094645 1183654927 /nfs/dbraw/zinc/65/49/27/1183654927.db2.gz UGLOHCWEHXNOSF-BZUAXINKSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)(C)C ZINC001734559575 1183826566 /nfs/dbraw/zinc/82/65/66/1183826566.db2.gz CMEBJEZEGFEUFT-MGPQQGTHSA-N 2 1 279.428 1.080 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000876739883 783631369 /nfs/dbraw/zinc/63/13/69/783631369.db2.gz JUMMRFHACIYKQL-STQMWFEESA-N 2 1 287.835 1.693 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926489113 785065008 /nfs/dbraw/zinc/06/50/08/785065008.db2.gz DMYFIPQBHFBVBY-CABCVRRESA-N 2 1 252.402 1.592 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000926489113 785065018 /nfs/dbraw/zinc/06/50/18/785065018.db2.gz DMYFIPQBHFBVBY-CABCVRRESA-N 2 1 252.402 1.592 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000852358144 785890501 /nfs/dbraw/zinc/89/05/01/785890501.db2.gz NRCLOELMUYBDKE-AWEZNQCLSA-N 2 1 294.443 1.114 10 30 CDEEMP C#CC[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000852358144 785890502 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C=C(C[NH+](C)C)C(=O)NC(C)(C)C[N@H+](C)CCC ZINC000856280651 789849432 /nfs/dbraw/zinc/84/94/32/789849432.db2.gz AIWBGOIBXXCOES-UHFFFAOYSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001566745098 1168406520 /nfs/dbraw/zinc/40/65/20/1168406520.db2.gz GDCYLCUXSGYLRZ-CYBMUJFWSA-N 2 1 276.384 1.309 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)CC[N@H+](C)CCC ZINC001483693072 912853005 /nfs/dbraw/zinc/85/30/05/912853005.db2.gz KHKJLZCOYHRUJB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001483693072 912853020 /nfs/dbraw/zinc/85/30/20/912853020.db2.gz KHKJLZCOYHRUJB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)CCC ZINC001483693072 912853039 /nfs/dbraw/zinc/85/30/39/912853039.db2.gz KHKJLZCOYHRUJB-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001266468244 894995213 /nfs/dbraw/zinc/99/52/13/894995213.db2.gz 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10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001266192057 944743771 /nfs/dbraw/zinc/74/37/71/944743771.db2.gz PVKRBPLCVRBXEP-HOCLYGCPSA-N 2 1 289.423 1.960 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001479643713 971356540 /nfs/dbraw/zinc/35/65/40/971356540.db2.gz BAJJUAKTNCJVLQ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CC)[C@H]1CC ZINC001479643713 971356543 /nfs/dbraw/zinc/35/65/43/971356543.db2.gz BAJJUAKTNCJVLQ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CC)[C@H]1CC ZINC001479643713 971356545 /nfs/dbraw/zinc/35/65/45/971356545.db2.gz BAJJUAKTNCJVLQ-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001479738576 971389584 /nfs/dbraw/zinc/38/95/84/971389584.db2.gz GGFKFFBDMDFMBC-AWEZNQCLSA-N 2 1 290.411 1.462 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001278520300 949690514 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30 CDEEMP C#CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001569121471 1169667810 /nfs/dbraw/zinc/66/78/10/1169667810.db2.gz IVRJHINTLQBKNE-HOCLYGCPSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001325434305 953901239 /nfs/dbraw/zinc/90/12/39/953901239.db2.gz AGMGUNAZLNLIHF-CABCVRRESA-N 2 1 295.471 1.977 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001493297957 972009302 /nfs/dbraw/zinc/00/93/02/972009302.db2.gz ZFUNKMAYPQSGEZ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001493297957 972009310 /nfs/dbraw/zinc/00/93/10/972009310.db2.gz ZFUNKMAYPQSGEZ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001493297957 972009313 /nfs/dbraw/zinc/00/93/13/972009313.db2.gz ZFUNKMAYPQSGEZ-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001328281653 955250613 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C=CCC[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001317510673 956762707 /nfs/dbraw/zinc/76/27/07/956762707.db2.gz RXEPYWWWCGHNJO-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317510673 956762718 /nfs/dbraw/zinc/76/27/18/956762718.db2.gz RXEPYWWWCGHNJO-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001317510673 956762725 /nfs/dbraw/zinc/76/27/25/956762725.db2.gz RXEPYWWWCGHNJO-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001331327348 956971651 /nfs/dbraw/zinc/97/16/51/956971651.db2.gz YWZUDWHHMFRZTP-OAHLLOKOSA-N 2 1 293.455 1.424 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317259851 957385253 /nfs/dbraw/zinc/38/52/53/957385253.db2.gz XRZSDNHQNORXQA-AWEZNQCLSA-N 2 1 293.455 1.757 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001317348816 957433362 /nfs/dbraw/zinc/43/33/62/957433362.db2.gz CPPQGRINRCSJGK-CABCVRRESA-N 2 1 291.439 1.511 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317781024 957661764 /nfs/dbraw/zinc/66/17/64/957661764.db2.gz XIFUUUCBZKIIKW-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317781024 957661766 /nfs/dbraw/zinc/66/17/66/957661766.db2.gz XIFUUUCBZKIIKW-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317781024 957661767 /nfs/dbraw/zinc/66/17/67/957661767.db2.gz XIFUUUCBZKIIKW-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001317811966 957676011 /nfs/dbraw/zinc/67/60/11/957676011.db2.gz SVEVUZPARNNVBL-INIZCTEOSA-N 2 1 293.455 1.877 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CCC)C(C)(C)C ZINC001332806590 957851708 /nfs/dbraw/zinc/85/17/08/957851708.db2.gz LQAQIZSHFOJOJP-GJZGRUSLSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001318367807 958063029 /nfs/dbraw/zinc/06/30/29/958063029.db2.gz ZIKZFMLVMWHJBE-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001318367807 958063043 /nfs/dbraw/zinc/06/30/43/958063043.db2.gz ZIKZFMLVMWHJBE-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001318367807 958063054 /nfs/dbraw/zinc/06/30/54/958063054.db2.gz ZIKZFMLVMWHJBE-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCC1 ZINC001318636246 958211351 /nfs/dbraw/zinc/21/13/51/958211351.db2.gz MMKLZYAHEFCJET-HUUCEWRRSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001320769320 959380088 /nfs/dbraw/zinc/38/00/88/959380088.db2.gz HYJYCCJLMRAELY-ZDUSSCGKSA-N 2 1 287.835 1.661 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H](F)CC ZINC001321096066 959588963 /nfs/dbraw/zinc/58/89/63/959588963.db2.gz GAVQFDYFYHYJPL-LUNKNMTDSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]C[C@@H](F)CC ZINC001321096066 959588974 /nfs/dbraw/zinc/58/89/74/959588974.db2.gz GAVQFDYFYHYJPL-LUNKNMTDSA-N 2 1 295.402 1.094 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)C[N@H+](C)C(C)C ZINC001321421589 959777807 /nfs/dbraw/zinc/77/78/07/959777807.db2.gz WSJGPAYLRAYSLW-VOTSOKGWSA-N 2 1 253.390 1.165 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001321543450 959845007 /nfs/dbraw/zinc/84/50/07/959845007.db2.gz RBJJFYMBOCPZAU-CABCVRRESA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001495370784 972482786 /nfs/dbraw/zinc/48/27/86/972482786.db2.gz MHTISAQQYZNFSH-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001495396976 972487809 /nfs/dbraw/zinc/48/78/09/972487809.db2.gz OZYBHGCAKUKNHG-JKSUJKDBSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC ZINC001324174184 961211039 /nfs/dbraw/zinc/21/10/39/961211039.db2.gz DDOSIGONZRNARA-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC ZINC001324174184 961211058 /nfs/dbraw/zinc/21/10/58/961211058.db2.gz DDOSIGONZRNARA-GJZGRUSLSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001324261237 961271803 /nfs/dbraw/zinc/27/18/03/961271803.db2.gz NZEMVVWCMAIUQD-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001437301236 962794346 /nfs/dbraw/zinc/79/43/46/962794346.db2.gz IWHDLEMUPBNWKU-MGPQQGTHSA-N 2 1 299.846 1.517 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001441365087 964479203 /nfs/dbraw/zinc/47/92/03/964479203.db2.gz LLPRUKSNSVETDJ-AVGNSLFASA-N 2 1 285.819 1.175 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001569541778 1169917507 /nfs/dbraw/zinc/91/75/07/1169917507.db2.gz XCJSZTLDHCYJSB-HOTGVXAUSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C)C1 ZINC001569646288 1169950265 /nfs/dbraw/zinc/95/02/65/1169950265.db2.gz HKXPAEHTOQKGOS-CQSZACIVSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496063917 972783190 /nfs/dbraw/zinc/78/31/90/972783190.db2.gz MPTSBKPJEBPYOU-QLFBSQMISA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496361017 972898186 /nfs/dbraw/zinc/89/81/86/972898186.db2.gz UVWFRXAMSXTODD-CABCVRRESA-N 2 1 293.455 1.424 10 30 CDEEMP C=CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497615418 973435875 /nfs/dbraw/zinc/43/58/75/973435875.db2.gz MLRUEBMQXRLXOP-AFNCTOJWSA-N 2 1 265.401 1.309 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001498325632 973831502 /nfs/dbraw/zinc/83/15/02/973831502.db2.gz HZYJILZYMPYPNM-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001498325632 973831510 /nfs/dbraw/zinc/83/15/10/973831510.db2.gz HZYJILZYMPYPNM-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001498325632 973831518 /nfs/dbraw/zinc/83/15/18/973831518.db2.gz HZYJILZYMPYPNM-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001499131989 974192445 /nfs/dbraw/zinc/19/24/45/974192445.db2.gz NKIOUESENFJRKB-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001499131989 974192450 /nfs/dbraw/zinc/19/24/50/974192450.db2.gz NKIOUESENFJRKB-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC)C1 ZINC001500354652 974426168 /nfs/dbraw/zinc/42/61/68/974426168.db2.gz WLJPAWLHGMEYLX-RDJZCZTQSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC)C1 ZINC001500354652 974426171 /nfs/dbraw/zinc/42/61/71/974426171.db2.gz WLJPAWLHGMEYLX-RDJZCZTQSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001501638446 974615199 /nfs/dbraw/zinc/61/51/99/974615199.db2.gz WSPQLDGSPPGZOL-CVEARBPZSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCC ZINC001503263290 974817771 /nfs/dbraw/zinc/81/77/71/974817771.db2.gz DEJUIXFSVRIWHU-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCCC ZINC001503263290 974817772 /nfs/dbraw/zinc/81/77/72/974817772.db2.gz DEJUIXFSVRIWHU-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1C ZINC001507035634 975301735 /nfs/dbraw/zinc/30/17/35/975301735.db2.gz HTBKOPKTUJPLJL-OAHLLOKOSA-N 2 1 290.411 1.594 10 30 CDEEMP CC#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001507355122 975429085 /nfs/dbraw/zinc/42/90/85/975429085.db2.gz KOGBTEJFLMIDRA-INMHGKMJSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001398455739 975993658 /nfs/dbraw/zinc/99/36/58/975993658.db2.gz LCJIATVTTQCKQI-CHWSQXEVSA-N 2 1 285.819 1.175 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001382118856 977174778 /nfs/dbraw/zinc/17/47/78/977174778.db2.gz JEZBLONBRSEWGE-AAEUAGOBSA-N 2 1 287.835 1.517 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001393629745 977872401 /nfs/dbraw/zinc/87/24/01/977872401.db2.gz IFHBXWCUXOAFCL-UHFFFAOYSA-N 2 1 275.824 1.471 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001393629745 977872408 /nfs/dbraw/zinc/87/24/08/977872408.db2.gz IFHBXWCUXOAFCL-UHFFFAOYSA-N 2 1 275.824 1.471 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001674224261 1173925095 /nfs/dbraw/zinc/92/50/95/1173925095.db2.gz HSEUFLKLPXQHDU-KKUMJFAQSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+]1CCC2 ZINC001674953307 1174044019 /nfs/dbraw/zinc/04/40/19/1174044019.db2.gz HFCICGYVJOYTRL-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001570736371 1170262273 /nfs/dbraw/zinc/26/22/73/1170262273.db2.gz WNWXXPIYUBPDNM-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001570736371 1170262281 /nfs/dbraw/zinc/26/22/81/1170262281.db2.gz WNWXXPIYUBPDNM-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001570736371 1170262286 /nfs/dbraw/zinc/26/22/86/1170262286.db2.gz WNWXXPIYUBPDNM-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3([NH+](C)C)CCC3)[C@@H]2C1 ZINC001570932634 1170322034 /nfs/dbraw/zinc/32/20/34/1170322034.db2.gz VTCDRZGEUUMGSV-QKDCVEJESA-N 2 1 291.439 1.341 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001571192702 1170344808 /nfs/dbraw/zinc/34/48/08/1170344808.db2.gz OKESPQIQLRCFMA-LVQVYYBASA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)CC1(C)C ZINC001571568604 1170478947 /nfs/dbraw/zinc/47/89/47/1170478947.db2.gz NFLSGUDQFNNFJV-AWEZNQCLSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001571617150 1170496676 /nfs/dbraw/zinc/49/66/76/1170496676.db2.gz WMZKVPXGQCZBDR-HOTGVXAUSA-N 2 1 293.455 1.661 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(C)C ZINC001571617150 1170496680 /nfs/dbraw/zinc/49/66/80/1170496680.db2.gz WMZKVPXGQCZBDR-HOTGVXAUSA-N 2 1 293.455 1.661 10 30 CDEEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594440060 342907072 /nfs/dbraw/zinc/90/70/72/342907072.db2.gz YWXMLKQMEHWNOG-HUUCEWRRSA-N 2 1 294.443 1.730 10 30 CDEEMP N#CCc1cccc2c1CC[N@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000600750997 342247418 /nfs/dbraw/zinc/24/74/18/342247418.db2.gz OJBSPWVKBLITBM-ZDUSSCGKSA-N 2 1 255.365 1.720 10 30 CDEEMP N#CCc1cccc2c1CC[N@@H+](C[C@H]1CC[NH2+]C1)C2 ZINC000600750997 342247419 /nfs/dbraw/zinc/24/74/19/342247419.db2.gz OJBSPWVKBLITBM-ZDUSSCGKSA-N 2 1 255.365 1.720 10 30 CDEEMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096414 198161587 /nfs/dbraw/zinc/16/15/87/198161587.db2.gz HILHZNPNXNUDKC-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096414 198161589 /nfs/dbraw/zinc/16/15/89/198161589.db2.gz HILHZNPNXNUDKC-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096414 198161590 /nfs/dbraw/zinc/16/15/90/198161590.db2.gz HILHZNPNXNUDKC-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccc(C#N)cc3)C2)C1 ZINC000292096414 198161592 /nfs/dbraw/zinc/16/15/92/198161592.db2.gz HILHZNPNXNUDKC-QGZVFWFLSA-N 2 1 285.391 1.965 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001660476875 1172219862 /nfs/dbraw/zinc/21/98/62/1172219862.db2.gz ZOVBFXLSPAEQOW-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[C@H](O)C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000221745682 357279047 /nfs/dbraw/zinc/27/90/47/357279047.db2.gz QCOKWFIBDAPMRV-SJORKVTESA-N 2 1 295.471 1.415 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000221745682 357279051 /nfs/dbraw/zinc/27/90/51/357279051.db2.gz QCOKWFIBDAPMRV-SJORKVTESA-N 2 1 295.471 1.415 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001660826815 1172283448 /nfs/dbraw/zinc/28/34/48/1172283448.db2.gz ZZSXDRSXMRNWHZ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001660826815 1172283457 /nfs/dbraw/zinc/28/34/57/1172283457.db2.gz ZZSXDRSXMRNWHZ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001660826815 1172283465 /nfs/dbraw/zinc/28/34/65/1172283465.db2.gz ZZSXDRSXMRNWHZ-HOTGVXAUSA-N 2 1 291.439 1.465 10 30 CDEEMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396927 367824639 /nfs/dbraw/zinc/82/46/39/367824639.db2.gz QDNOVWAOBQVKQL-UONOGXRCSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396927 367824643 /nfs/dbraw/zinc/82/46/43/367824643.db2.gz QDNOVWAOBQVKQL-UONOGXRCSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528396927 367824647 /nfs/dbraw/zinc/82/46/47/367824647.db2.gz QDNOVWAOBQVKQL-UONOGXRCSA-N 2 1 265.401 1.315 10 30 CDEEMP CC[NH+]1CCC([NH2+]Cc2cnc3ccc(C#N)cn23)CC1 ZINC000123178290 373988416 /nfs/dbraw/zinc/98/84/16/373988416.db2.gz IYUGECOXGXNAAV-UHFFFAOYSA-N 2 1 283.379 1.780 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001663968802 1172796361 /nfs/dbraw/zinc/79/63/61/1172796361.db2.gz WIXNPWSICRGVCQ-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2CC)CCC[NH2+]1 ZINC000662661193 413264814 /nfs/dbraw/zinc/26/48/14/413264814.db2.gz MIUXJPZPNHPCCE-UKRRQHHQSA-N 2 1 265.401 1.285 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001664686338 1172885124 /nfs/dbraw/zinc/88/51/24/1172885124.db2.gz JOVLCEWUHIQBQT-OAHLLOKOSA-N 2 1 289.423 1.028 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001664686338 1172885133 /nfs/dbraw/zinc/88/51/33/1172885133.db2.gz JOVLCEWUHIQBQT-OAHLLOKOSA-N 2 1 289.423 1.028 10 30 CDEEMP [NH3+]CC#Cc1cccc(C[N@H+]2CCO[C@H]3CCC[C@@H]32)c1 ZINC000043427222 175040851 /nfs/dbraw/zinc/04/08/51/175040851.db2.gz RVWPXOGEIRVFRC-IRXDYDNUSA-N 2 1 270.376 1.750 10 30 CDEEMP CCC[N@@H+](CCO)Cc1sccc1C#CC[NH3+] ZINC000043683878 175092093 /nfs/dbraw/zinc/09/20/93/175092093.db2.gz GTPKJGDAXOCSLU-UHFFFAOYSA-N 2 1 252.383 1.263 10 30 CDEEMP C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccc(C#CC[NH3+])s1 ZINC000043684115 175093234 /nfs/dbraw/zinc/09/32/34/175093234.db2.gz XIBRSZSZMNTLRE-VXGBXAGGSA-N 2 1 291.420 1.144 10 30 CDEEMP C[NH+](C)C1CC[NH+](CCCC[C@](C)(N)C#N)CC1 ZINC000045311135 175356511 /nfs/dbraw/zinc/35/65/11/175356511.db2.gz NRRWTICRNRMKLD-AWEZNQCLSA-N 2 1 252.406 1.424 10 30 CDEEMP C[N@@H+](Cc1cc(C#CCO)cs1)C[C@H]1CC[NH+](C)C1 ZINC000071190485 176066753 /nfs/dbraw/zinc/06/67/53/176066753.db2.gz YAPLJVQIVRBCIG-AWEZNQCLSA-N 2 1 278.421 1.475 10 30 CDEEMP C[N@H+](Cc1cc(C#CCO)cs1)C[C@H]1CC[NH+](C)C1 ZINC000071190485 176066755 /nfs/dbraw/zinc/06/67/55/176066755.db2.gz YAPLJVQIVRBCIG-AWEZNQCLSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1cc(C#CCO)cs1)C[C@H]1CC[N@H+](C)C1 ZINC000071190485 176066756 /nfs/dbraw/zinc/06/67/56/176066756.db2.gz YAPLJVQIVRBCIG-AWEZNQCLSA-N 2 1 278.421 1.475 10 30 CDEEMP C[NH+](Cc1cc(C#CCO)cs1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190485 176066757 /nfs/dbraw/zinc/06/67/57/176066757.db2.gz YAPLJVQIVRBCIG-AWEZNQCLSA-N 2 1 278.421 1.475 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655754278 424440910 /nfs/dbraw/zinc/44/09/10/424440910.db2.gz PFCNGXSPJKNJTL-LSDHHAIUSA-N 2 1 268.401 1.156 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001669861901 1173620343 /nfs/dbraw/zinc/62/03/43/1173620343.db2.gz GQXUINSGBKKTAM-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP COCc1ccccc1NC(=[NH2+])N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262478768 330016417 /nfs/dbraw/zinc/01/64/17/330016417.db2.gz QYPWTAIJNALFCD-CYBMUJFWSA-N 2 1 299.378 1.771 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424167556 330309898 /nfs/dbraw/zinc/30/98/98/330309898.db2.gz CRCFYHXPJPBSCO-YJNKXOJESA-N 2 1 250.386 1.794 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001698573954 1175851079 /nfs/dbraw/zinc/85/10/79/1175851079.db2.gz OAWKRVKLKAJJRZ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CCC)C1 ZINC001698573954 1175851087 /nfs/dbraw/zinc/85/10/87/1175851087.db2.gz OAWKRVKLKAJJRZ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001716482969 1180244221 /nfs/dbraw/zinc/24/42/21/1180244221.db2.gz VTWISJXPELGLPZ-AWEZNQCLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCC(C)CC1 ZINC001725186086 1181914423 /nfs/dbraw/zinc/91/44/23/1181914423.db2.gz MRICDGLMGOZRMP-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001732600276 1183041904 /nfs/dbraw/zinc/04/19/04/1183041904.db2.gz MXSLGETWPVCDAH-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001732600276 1183041913 /nfs/dbraw/zinc/04/19/13/1183041913.db2.gz MXSLGETWPVCDAH-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1CC ZINC001732600276 1183041920 /nfs/dbraw/zinc/04/19/20/1183041920.db2.gz MXSLGETWPVCDAH-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP CCN(CC)C(=O)C[N@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609797 520474607 /nfs/dbraw/zinc/47/46/07/520474607.db2.gz VFEUESNXKXWKKM-UHFFFAOYSA-N 2 1 287.407 1.297 10 30 CDEEMP CCN(CC)C(=O)C[N@@H+](C)Cc1cccc(C#CC[NH3+])c1 ZINC000049609797 520474615 /nfs/dbraw/zinc/47/46/15/520474615.db2.gz VFEUESNXKXWKKM-UHFFFAOYSA-N 2 1 287.407 1.297 10 30 CDEEMP CN1CCC([N@H+](C)Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608602 523254499 /nfs/dbraw/zinc/25/44/99/523254499.db2.gz FFWAWSUVANZPRK-UHFFFAOYSA-N 2 1 289.398 1.662 10 30 CDEEMP CN1CCC([N@@H+](C)Cc2ccc(F)cc2C#CC[NH3+])CC1 ZINC000049608602 523254504 /nfs/dbraw/zinc/25/45/04/523254504.db2.gz FFWAWSUVANZPRK-UHFFFAOYSA-N 2 1 289.398 1.662 10 30 CDEEMP C[C@@H]1CC[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)C1 ZINC000049609452 524504439 /nfs/dbraw/zinc/50/44/39/524504439.db2.gz HWPKLHLCOGYFHC-CQSZACIVSA-N 2 1 258.365 1.717 10 30 CDEEMP [NH3+]CC#Cc1ccccc1C[N@H+]1CCCC[C@@H]1CO ZINC000049609777 527153567 /nfs/dbraw/zinc/15/35/67/527153567.db2.gz MZLWUINDZOLCFR-MRXNPFEDSA-N 2 1 258.365 1.344 10 30 CDEEMP C=CCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001698594090 1175194577 /nfs/dbraw/zinc/19/45/77/1175194577.db2.gz FJZBWBLRBURAIQ-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941218753 613784623 /nfs/dbraw/zinc/78/46/23/613784623.db2.gz YYVXXHGXGUPCHO-KGLIPLIRSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218753 613784626 /nfs/dbraw/zinc/78/46/26/613784626.db2.gz YYVXXHGXGUPCHO-KGLIPLIRSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218753 613784628 /nfs/dbraw/zinc/78/46/28/613784628.db2.gz YYVXXHGXGUPCHO-KGLIPLIRSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000895665704 619793864 /nfs/dbraw/zinc/79/38/64/619793864.db2.gz FGHGPPQCELYAMS-ZDUSSCGKSA-N 2 1 284.448 1.522 10 30 CDEEMP C=CC(C)(C)NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000895665704 619793868 /nfs/dbraw/zinc/79/38/68/619793868.db2.gz FGHGPPQCELYAMS-ZDUSSCGKSA-N 2 1 284.448 1.522 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@]1(C)CCCCO1 ZINC000902953779 625689140 /nfs/dbraw/zinc/68/91/40/625689140.db2.gz JYRRSHJXAWENEG-YESZJQIVSA-N 2 1 296.455 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ZINC001690383278 1175457694 /nfs/dbraw/zinc/45/76/94/1175457694.db2.gz LLRWOCDOVLJKCI-LSDHHAIUSA-N 2 1 297.418 1.128 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001692135449 1175680612 /nfs/dbraw/zinc/68/06/12/1175680612.db2.gz VBCWUTLETWDTPJ-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001692338025 1175741517 /nfs/dbraw/zinc/74/15/17/1175741517.db2.gz RNRFCLAKIGPHAR-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CCC)C1 ZINC001698573954 1175851072 /nfs/dbraw/zinc/85/10/72/1175851072.db2.gz OAWKRVKLKAJJRZ-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001698597360 1175862896 /nfs/dbraw/zinc/86/28/96/1175862896.db2.gz QCSGPIGHLPGMGV-CABCVRRESA-N 2 1 279.428 1.367 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001698747563 1175916363 /nfs/dbraw/zinc/91/63/63/1175916363.db2.gz DGEXMQKDHLFFKZ-ZDUSSCGKSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+](C)C)CC[C@@H]21 ZINC001699021127 1176046576 /nfs/dbraw/zinc/04/65/76/1176046576.db2.gz OOQFMPNKEKOXFS-GJZGRUSLSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC001699743906 1176600548 /nfs/dbraw/zinc/60/05/48/1176600548.db2.gz RNYVIEWLLRRNGV-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001699836460 1176650574 /nfs/dbraw/zinc/65/05/74/1176650574.db2.gz IWQZVRWYHDEELQ-UXLLHSPISA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187140 1176789400 /nfs/dbraw/zinc/78/94/00/1176789400.db2.gz JTHWAJFQFPJITA-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700187140 1176789405 /nfs/dbraw/zinc/78/94/05/1176789405.db2.gz JTHWAJFQFPJITA-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[NH+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001700187140 1176789411 /nfs/dbraw/zinc/78/94/11/1176789411.db2.gz JTHWAJFQFPJITA-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001700222942 1176805976 /nfs/dbraw/zinc/80/59/76/1176805976.db2.gz QWYXHEJHMWNOKF-UHFFFAOYSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001723408496 1178121057 /nfs/dbraw/zinc/12/10/57/1178121057.db2.gz XOONFDKGYNXJHF-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001723408496 1178121061 /nfs/dbraw/zinc/12/10/61/1178121061.db2.gz XOONFDKGYNXJHF-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001723408496 1178121063 /nfs/dbraw/zinc/12/10/63/1178121063.db2.gz XOONFDKGYNXJHF-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=C)C)C1CC1 ZINC001713113177 1178375136 /nfs/dbraw/zinc/37/51/36/1178375136.db2.gz NJKZVMAQHMUTRW-HOTGVXAUSA-N 2 1 289.423 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=C)C)C1CC1 ZINC001713113177 1178375141 /nfs/dbraw/zinc/37/51/41/1178375141.db2.gz NJKZVMAQHMUTRW-HOTGVXAUSA-N 2 1 289.423 1.145 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001713199918 1178426702 /nfs/dbraw/zinc/42/67/02/1178426702.db2.gz UMNIZRISQNSFCG-ZQDZILKHSA-N 2 1 279.428 1.530 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001713381795 1178529077 /nfs/dbraw/zinc/52/90/77/1178529077.db2.gz MPEYTODWVFFWAB-HUUCEWRRSA-N 2 1 288.395 1.232 10 30 CDEEMP C#CCC[NH2+][C@H](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001713683417 1178707097 /nfs/dbraw/zinc/70/70/97/1178707097.db2.gz WMTZGZNJLXKOJU-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001713720388 1178721839 /nfs/dbraw/zinc/72/18/39/1178721839.db2.gz VFIWIEZKBQFABH-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C2CC[NH+](C)CC2)C1 ZINC001713720388 1178721843 /nfs/dbraw/zinc/72/18/43/1178721843.db2.gz VFIWIEZKBQFABH-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713738968 1178731436 /nfs/dbraw/zinc/73/14/36/1178731436.db2.gz NFBMIRXHLOKDKG-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001714149565 1178992385 /nfs/dbraw/zinc/99/23/85/1178992385.db2.gz ZDGVVNOQJNYWGY-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C#CCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001714365717 1179106425 /nfs/dbraw/zinc/10/64/25/1179106425.db2.gz JQNMPLWJOHDGOL-UHFFFAOYSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714942218 1179468484 /nfs/dbraw/zinc/46/84/84/1179468484.db2.gz PHQKSPWWQKXLIJ-UHFFFAOYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C2CCC2)C1 ZINC001715026598 1179515386 /nfs/dbraw/zinc/51/53/86/1179515386.db2.gz VLVACUWGFJNVCC-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C2CCC2)C1 ZINC001715026598 1179515391 /nfs/dbraw/zinc/51/53/91/1179515391.db2.gz VLVACUWGFJNVCC-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH+]1CC[C@H](N(C)C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001715026598 1179515395 /nfs/dbraw/zinc/51/53/95/1179515395.db2.gz VLVACUWGFJNVCC-HNNXBMFYSA-N 2 1 277.412 1.027 10 30 CDEEMP C=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001715202034 1179575488 /nfs/dbraw/zinc/57/54/88/1179575488.db2.gz MKODKODBOQJFFE-MRXNPFEDSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715225981 1179585349 /nfs/dbraw/zinc/58/53/49/1179585349.db2.gz DTPMTXNURVUTMB-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001715238814 1179591361 /nfs/dbraw/zinc/59/13/61/1179591361.db2.gz IUXMOUSQPWDANC-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001715648269 1179751923 /nfs/dbraw/zinc/75/19/23/1179751923.db2.gz ZIVYBZFFUUHCDW-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001715665947 1179757825 /nfs/dbraw/zinc/75/78/25/1179757825.db2.gz NDUNAGXNAMVLOO-ZDUSSCGKSA-N 2 1 278.400 1.642 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001715701996 1179768913 /nfs/dbraw/zinc/76/89/13/1179768913.db2.gz WEXYNSMXCRRLDJ-CYBMUJFWSA-N 2 1 299.378 1.551 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716042564 1180017161 /nfs/dbraw/zinc/01/71/61/1180017161.db2.gz QMZGFJHSKGRYSV-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001716618583 1180308486 /nfs/dbraw/zinc/30/84/86/1180308486.db2.gz GTJYZONDDNCBRZ-BPUTZDHNSA-N 2 1 291.439 1.224 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001716660072 1180345440 /nfs/dbraw/zinc/34/54/40/1180345440.db2.gz LKGNGXSAXDKJNX-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001716661289 1180346879 /nfs/dbraw/zinc/34/68/79/1180346879.db2.gz IINCWUWLXKQWKH-UONOGXRCSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[N@@H+](C)CCCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001717213786 1180579982 /nfs/dbraw/zinc/57/99/82/1180579982.db2.gz XCXZGWSMWBNPHA-UHFFFAOYSA-N 2 1 290.411 1.385 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)CCCn1cc[nH+]c1C ZINC001717213786 1180579986 /nfs/dbraw/zinc/57/99/86/1180579986.db2.gz XCXZGWSMWBNPHA-UHFFFAOYSA-N 2 1 290.411 1.385 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001717606475 1180755878 /nfs/dbraw/zinc/75/58/78/1180755878.db2.gz UCBNXSVGABRQEN-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001717606475 1180755884 /nfs/dbraw/zinc/75/58/84/1180755884.db2.gz UCBNXSVGABRQEN-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001717606475 1180755891 /nfs/dbraw/zinc/75/58/91/1180755891.db2.gz UCBNXSVGABRQEN-FPCVCCKLSA-N 2 1 291.439 1.198 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001717693918 1180793321 /nfs/dbraw/zinc/79/33/21/1180793321.db2.gz AUMIXQTUKVGJCT-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+](C)C ZINC001723632775 1181593172 /nfs/dbraw/zinc/59/31/72/1181593172.db2.gz SSOODJGMFUMHIA-CVEARBPZSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CCC)CC1 ZINC001724064749 1181632288 /nfs/dbraw/zinc/63/22/88/1181632288.db2.gz IPJVEYWSBITAHG-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC001724849028 1181773665 /nfs/dbraw/zinc/77/36/65/1181773665.db2.gz XZDHAQRTQIDTOQ-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001724849028 1181773670 /nfs/dbraw/zinc/77/36/70/1181773670.db2.gz XZDHAQRTQIDTOQ-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001724849028 1181773677 /nfs/dbraw/zinc/77/36/77/1181773677.db2.gz XZDHAQRTQIDTOQ-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001724849028 1181773684 /nfs/dbraw/zinc/77/36/84/1181773684.db2.gz XZDHAQRTQIDTOQ-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001724849028 1181773689 /nfs/dbraw/zinc/77/36/89/1181773689.db2.gz XZDHAQRTQIDTOQ-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)CCc1nccn1C ZINC001724854221 1181777033 /nfs/dbraw/zinc/77/70/33/1181777033.db2.gz VKWDUJULALZVHE-UHFFFAOYSA-N 2 1 292.427 1.709 10 30 CDEEMP C=CCOCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001725171034 1181903379 /nfs/dbraw/zinc/90/33/79/1181903379.db2.gz CZZUSABEPPITMI-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001725171034 1181903383 /nfs/dbraw/zinc/90/33/83/1181903383.db2.gz CZZUSABEPPITMI-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCOCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001725171034 1181903384 /nfs/dbraw/zinc/90/33/84/1181903384.db2.gz CZZUSABEPPITMI-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001725176848 1181907814 /nfs/dbraw/zinc/90/78/14/1181907814.db2.gz APGZZHRGDHVIKK-CYBMUJFWSA-N 2 1 267.417 1.034 10 30 CDEEMP C#CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725176848 1181907818 /nfs/dbraw/zinc/90/78/18/1181907818.db2.gz APGZZHRGDHVIKK-CYBMUJFWSA-N 2 1 267.417 1.034 10 30 CDEEMP C#CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)CC(C)(C)C ZINC001725176848 1181907822 /nfs/dbraw/zinc/90/78/22/1181907822.db2.gz APGZZHRGDHVIKK-CYBMUJFWSA-N 2 1 267.417 1.034 10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)CC[N@H+](C)CC)CCCCC1 ZINC001725230002 1181928151 /nfs/dbraw/zinc/92/81/51/1181928151.db2.gz QOVTUSRYTQHSNF-UHFFFAOYSA-N 2 1 293.455 1.760 10 30 CDEEMP C#CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725469993 1182010951 /nfs/dbraw/zinc/01/09/51/1182010951.db2.gz KKGRCGWGYKMOHP-GDBMZVCRSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725470949 1182011415 /nfs/dbraw/zinc/01/14/15/1182011415.db2.gz QHLYYRKEYWDMEC-GDBMZVCRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731509756 1182427518 /nfs/dbraw/zinc/42/75/18/1182427518.db2.gz AXMRFRKXPBYABX-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001731527292 1182436058 /nfs/dbraw/zinc/43/60/58/1182436058.db2.gz QZDZQUUKLIWMAT-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001731917278 1182677718 /nfs/dbraw/zinc/67/77/18/1182677718.db2.gz KNOMRVBUJKNIKK-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001731925027 1182682070 /nfs/dbraw/zinc/68/20/70/1182682070.db2.gz DJKUBNHFXGEIQP-UHFFFAOYSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001732003212 1182720466 /nfs/dbraw/zinc/72/04/66/1182720466.db2.gz YULYRIPKIXLUPB-ZBFHGGJFSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001732110829 1182775700 /nfs/dbraw/zinc/77/57/00/1182775700.db2.gz SFGPRGMZWVASPT-UHFFFAOYSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCC[NH+]1CC(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732110829 1182775706 /nfs/dbraw/zinc/77/57/06/1182775706.db2.gz SFGPRGMZWVASPT-UHFFFAOYSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001732422683 1182958387 /nfs/dbraw/zinc/95/83/87/1182958387.db2.gz JVTQZDQWSRLIGN-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001732598164 1183039281 /nfs/dbraw/zinc/03/92/81/1183039281.db2.gz JAFMHSFXIFZAQF-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001732598164 1183039290 /nfs/dbraw/zinc/03/92/90/1183039290.db2.gz JAFMHSFXIFZAQF-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001732598164 1183039276 /nfs/dbraw/zinc/03/92/76/1183039276.db2.gz JAFMHSFXIFZAQF-AWEZNQCLSA-N 2 1 267.417 1.295 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001732612940 1183048319 /nfs/dbraw/zinc/04/83/19/1183048319.db2.gz LHFBXKIZLACPTA-GOEBONIOSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CC[NH+]1CCC[C@@](C)(CNC(=O)CC[N@H+](C)CC)C1 ZINC001733462644 1183438739 /nfs/dbraw/zinc/43/87/39/1183438739.db2.gz OFSCBIFPZMPDNN-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001733462644 1183438743 /nfs/dbraw/zinc/43/87/43/1183438743.db2.gz OFSCBIFPZMPDNN-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)CC)C1 ZINC001733462644 1183438745 /nfs/dbraw/zinc/43/87/45/1183438745.db2.gz OFSCBIFPZMPDNN-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001733899540 1183563210 /nfs/dbraw/zinc/56/32/10/1183563210.db2.gz JILPIKVBQUTOFX-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001733899540 1183563213 /nfs/dbraw/zinc/56/32/13/1183563213.db2.gz JILPIKVBQUTOFX-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001733899540 1183563214 /nfs/dbraw/zinc/56/32/14/1183563214.db2.gz JILPIKVBQUTOFX-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001733981431 1183600292 /nfs/dbraw/zinc/60/02/92/1183600292.db2.gz IDSVMCJWVYFMNY-KBPBESRZSA-N 2 1 278.400 1.641 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001734054171 1183638865 /nfs/dbraw/zinc/63/88/65/1183638865.db2.gz RDCVAEWNDYIOLH-CZUORRHYSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001734054171 1183638866 /nfs/dbraw/zinc/63/88/66/1183638866.db2.gz RDCVAEWNDYIOLH-CZUORRHYSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001734054171 1183638867 /nfs/dbraw/zinc/63/88/67/1183638867.db2.gz RDCVAEWNDYIOLH-CZUORRHYSA-N 2 1 299.434 1.821 10 30 CDEEMP CC#CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001734076415 1183648475 /nfs/dbraw/zinc/64/84/75/1183648475.db2.gz BUODKESNPVZBMO-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3(C[NH+](C)C)CC3)[C@@H]2C1 ZINC001734166706 1183681427 /nfs/dbraw/zinc/68/14/27/1183681427.db2.gz DJRIWIRSCDTYDQ-QKDCVEJESA-N 2 1 291.439 1.198 10 30 CDEEMP C=CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001734263352 1183707615 /nfs/dbraw/zinc/70/76/15/1183707615.db2.gz OYECBOBJWSBLSE-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[N@@H+](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001734268793 1183709134 /nfs/dbraw/zinc/70/91/34/1183709134.db2.gz AXJSGOWTQKDXTE-UHFFFAOYSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)Cc1ccccc1 ZINC001734359256 1183747255 /nfs/dbraw/zinc/74/72/55/1183747255.db2.gz YXHJVFYQSRUCSP-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH2+][C@H](C)CN(C)C(=O)C[N@@H+](C)Cc1ccccc1 ZINC001734359256 1183747257 /nfs/dbraw/zinc/74/72/57/1183747257.db2.gz YXHJVFYQSRUCSP-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)(C)C ZINC001734557516 1183825566 /nfs/dbraw/zinc/82/55/66/1183825566.db2.gz YWIQUTOHGXWBCU-KBPBESRZSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)(C)C ZINC001734557516 1183825567 /nfs/dbraw/zinc/82/55/67/1183825567.db2.gz YWIQUTOHGXWBCU-KBPBESRZSA-N 2 1 297.443 1.014 10 30 CDEEMP C[NH+]=C(NCc1cc(C)no1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245583417 791072967 /nfs/dbraw/zinc/07/29/67/791072967.db2.gz DGBDNCAKHULQDQ-BXUZGUMPSA-N 2 1 293.415 1.377 10 30 CDEEMP C#CCC1([NH2+]C[C@@H](O)C[N@@H+](C)CCOC)CCCCC1 ZINC000933266030 791134182 /nfs/dbraw/zinc/13/41/82/791134182.db2.gz ONJGWZRZEDNJPQ-OAHLLOKOSA-N 2 1 282.428 1.241 10 30 CDEEMP C#CCC1([NH2+]C[C@@H](O)C[N@H+](C)CCOC)CCCCC1 ZINC000933266030 791134191 /nfs/dbraw/zinc/13/41/91/791134191.db2.gz ONJGWZRZEDNJPQ-OAHLLOKOSA-N 2 1 282.428 1.241 10 30 CDEEMP C[NH+]1C[C@]2(C)C[NH+](C[C@H](O)CC3(C#N)CC3)C[C@@]2(C)C1 ZINC000931315988 790044791 /nfs/dbraw/zinc/04/47/91/790044791.db2.gz FIQVZABXCQOTAJ-RBSFLKMASA-N 2 1 277.412 1.315 10 30 CDEEMP C[NH+]1C[C@]2(C)CN(C[C@H](O)CC3(C#N)CC3)C[C@@]2(C)C1 ZINC000931315988 790044784 /nfs/dbraw/zinc/04/47/84/790044784.db2.gz FIQVZABXCQOTAJ-RBSFLKMASA-N 2 1 277.412 1.315 10 30 CDEEMP CC[NH+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261977932 790143652 /nfs/dbraw/zinc/14/36/52/790143652.db2.gz OEDAKYCDRVQQQZ-QLFBSQMISA-N 2 1 296.459 1.449 10 30 CDEEMP 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C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H](C)CC)CC1 ZINC001480951321 898110885 /nfs/dbraw/zinc/11/08/85/898110885.db2.gz XARQGDAHNMGVSB-HNNXBMFYSA-N 2 1 293.455 1.426 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267580414 898515911 /nfs/dbraw/zinc/51/59/11/898515911.db2.gz WMORZCVUJWAMFP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267580414 898515920 /nfs/dbraw/zinc/51/59/20/898515920.db2.gz WMORZCVUJWAMFP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267580414 898515927 /nfs/dbraw/zinc/51/59/27/898515927.db2.gz WMORZCVUJWAMFP-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001267589577 898595964 /nfs/dbraw/zinc/59/59/64/898595964.db2.gz KTZCOUFZHLWSCO-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001267589577 898595976 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C#CC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CC1 ZINC001481178506 899057029 /nfs/dbraw/zinc/05/70/29/899057029.db2.gz XIPUTUUGHACVOZ-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001481178506 899057046 /nfs/dbraw/zinc/05/70/46/899057046.db2.gz XIPUTUUGHACVOZ-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)C1CC1 ZINC001481178506 899057055 /nfs/dbraw/zinc/05/70/55/899057055.db2.gz XIPUTUUGHACVOZ-MRXNPFEDSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)CC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001267667817 899210582 /nfs/dbraw/zinc/21/05/82/899210582.db2.gz MMAQQKUSCRPXMK-AWEZNQCLSA-N 2 1 267.417 1.339 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1 ZINC001567665833 1168910578 /nfs/dbraw/zinc/91/05/78/1168910578.db2.gz MGCRADZBVVUZSQ-INIZCTEOSA-N 2 1 287.407 1.409 10 30 CDEEMP C#CCC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001481461401 900767286 /nfs/dbraw/zinc/76/72/86/900767286.db2.gz BYWRTVPBPJZHRF-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461401 900767296 /nfs/dbraw/zinc/76/72/96/900767296.db2.gz BYWRTVPBPJZHRF-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001481461401 900767304 /nfs/dbraw/zinc/76/73/04/900767304.db2.gz BYWRTVPBPJZHRF-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001481495475 900922932 /nfs/dbraw/zinc/92/29/32/900922932.db2.gz AGCUVZIRUFHRNA-HNNXBMFYSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481506578 900956315 /nfs/dbraw/zinc/95/63/15/900956315.db2.gz GXCKPNHYLUBRBU-HNNXBMFYSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001481506578 900956322 /nfs/dbraw/zinc/95/63/22/900956322.db2.gz GXCKPNHYLUBRBU-HNNXBMFYSA-N 2 1 290.411 1.548 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)C1 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C=CC[NH+](C)C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001281967728 942638571 /nfs/dbraw/zinc/63/85/71/942638571.db2.gz IVDNZAQWLSHZGJ-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001281967728 942638575 /nfs/dbraw/zinc/63/85/75/942638575.db2.gz IVDNZAQWLSHZGJ-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+](C)C(C)C ZINC001281967728 942638581 /nfs/dbraw/zinc/63/85/81/942638581.db2.gz IVDNZAQWLSHZGJ-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C=CC[NH2+]CC1CC(NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001282016269 942644745 /nfs/dbraw/zinc/64/47/45/942644745.db2.gz VUULKAMJRNYROV-UHFFFAOYSA-N 2 1 292.383 1.020 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001282314323 942688843 /nfs/dbraw/zinc/68/88/43/942688843.db2.gz UNPQXURZZTUVFV-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCCCC1 ZINC001282607964 942732209 /nfs/dbraw/zinc/73/22/09/942732209.db2.gz 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COc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1C#N ZINC000600771918 349880191 /nfs/dbraw/zinc/88/01/91/349880191.db2.gz CIKFZLGQZPIITN-UHFFFAOYSA-N 2 1 275.352 1.164 10 30 CDEEMP N#C[C@@H]1CCC[C@@H]1NC[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601964628 344297681 /nfs/dbraw/zinc/29/76/81/344297681.db2.gz JQJXBNNGNQLUOO-BZSNNMDCSA-N 2 1 299.418 1.905 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@H+](C)C1CCC1 ZINC001660536920 1172231478 /nfs/dbraw/zinc/23/14/78/1172231478.db2.gz NUPQALPAGVZQEZ-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CC)CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001660536920 1172231483 /nfs/dbraw/zinc/23/14/83/1172231483.db2.gz NUPQALPAGVZQEZ-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)CCc1c[nH]cn1 ZINC001660536933 1172231955 /nfs/dbraw/zinc/23/19/55/1172231955.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 1 276.384 1.194 10 30 CDEEMP CC#CC[N@H+](CC)CCCNC(=O)CCc1cnc[nH]1 ZINC001660536933 1172231960 /nfs/dbraw/zinc/23/19/60/1172231960.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 1 276.384 1.194 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)CCc1cnc[nH]1 ZINC001660536933 1172231965 /nfs/dbraw/zinc/23/19/65/1172231965.db2.gz OBAWEGLTCYYXDT-UHFFFAOYSA-N 2 1 276.384 1.194 10 30 CDEEMP C#CCC[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001660775770 1172274893 /nfs/dbraw/zinc/27/48/93/1172274893.db2.gz GCRRREIXMDRLKR-UHFFFAOYSA-N 2 1 291.439 1.417 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001661748513 1172441558 /nfs/dbraw/zinc/44/15/58/1172441558.db2.gz TTXKUSDMAPWHGP-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001661748513 1172441563 /nfs/dbraw/zinc/44/15/63/1172441563.db2.gz TTXKUSDMAPWHGP-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCCC[C@H](C)[N@@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685994 397897737 /nfs/dbraw/zinc/89/77/37/397897737.db2.gz UTODYMDLUMKKNQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CCCC[C@H](C)[N@H+]1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685994 397897741 /nfs/dbraw/zinc/89/77/41/397897741.db2.gz UTODYMDLUMKKNQ-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[NH2+][C@@H](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001664462864 1172857577 /nfs/dbraw/zinc/85/75/77/1172857577.db2.gz MNBULBURIGOHNN-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001664811899 1172914720 /nfs/dbraw/zinc/91/47/20/1172914720.db2.gz KEPIANLJRZVAAC-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001664811899 1172914726 /nfs/dbraw/zinc/91/47/26/1172914726.db2.gz KEPIANLJRZVAAC-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2CC)CCC[NH2+]1 ZINC000662717098 413372072 /nfs/dbraw/zinc/37/20/72/413372072.db2.gz XEEAFSCDABFTCW-HOCLYGCPSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CC[C@]1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCC[NH2+]1 ZINC000662741728 413417917 /nfs/dbraw/zinc/41/79/17/413417917.db2.gz HFDKYSUKYBXPNV-UCMJJCQDSA-N 2 1 291.439 1.816 10 30 CDEEMP N#Cc1ccc(OCC[N@@H+]2[C@@H]3CC[C@H]2CC([NH3+])C3)cc1 ZINC000040749974 174395196 /nfs/dbraw/zinc/39/51/96/174395196.db2.gz XDPKOXYJCTUOSR-GOOCMWNKSA-N 2 1 271.364 1.891 10 30 CDEEMP C[N@H+](CCCC[C@](C)([NH3+])C#N)CCc1ccccn1 ZINC000045306013 175355996 /nfs/dbraw/zinc/35/59/96/175355996.db2.gz AGOVPMNZLGRTCP-HNNXBMFYSA-N 2 1 260.385 1.967 10 30 CDEEMP C[N@@H+](CCCC[C@](C)([NH3+])C#N)CCc1ccccn1 ZINC000045306013 175355997 /nfs/dbraw/zinc/35/59/97/175355997.db2.gz AGOVPMNZLGRTCP-HNNXBMFYSA-N 2 1 260.385 1.967 10 30 CDEEMP CC[NH+]1CCC([N@H+](C)CCC[C@@](C)(N)C#N)CC1 ZINC000045317126 175358178 /nfs/dbraw/zinc/35/81/78/175358178.db2.gz VQQOWHNEOGMVAY-CQSZACIVSA-N 2 1 252.406 1.424 10 30 CDEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@@](C)(N)C#N)CC1 ZINC000045317126 175358180 /nfs/dbraw/zinc/35/81/80/175358180.db2.gz VQQOWHNEOGMVAY-CQSZACIVSA-N 2 1 252.406 1.424 10 30 CDEEMP C[N@@H+](Cc1sccc1C#CCCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190514 176066538 /nfs/dbraw/zinc/06/65/38/176066538.db2.gz MBDNTAGGSIWKNV-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C[N@H+](Cc1sccc1C#CCCO)C[C@@H]1CC[NH+](C)C1 ZINC000071190514 176066539 /nfs/dbraw/zinc/06/65/39/176066539.db2.gz MBDNTAGGSIWKNV-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C[NH+](Cc1sccc1C#CCCO)C[C@@H]1CC[N@H+](C)C1 ZINC000071190514 176066540 /nfs/dbraw/zinc/06/65/40/176066540.db2.gz MBDNTAGGSIWKNV-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C[NH+](Cc1sccc1C#CCCO)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190514 176066542 /nfs/dbraw/zinc/06/65/42/176066542.db2.gz MBDNTAGGSIWKNV-CQSZACIVSA-N 2 1 292.448 1.866 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001666673537 1173169050 /nfs/dbraw/zinc/16/90/50/1173169050.db2.gz QASMPZCTZPADAP-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001669595673 1173573960 /nfs/dbraw/zinc/57/39/60/1173573960.db2.gz OEHVFGXIBPKJIP-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CCOCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001731712565 1159329384 /nfs/dbraw/zinc/32/93/84/1159329384.db2.gz TZPFJVUSLHNZJH-OAHLLOKOSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001699526851 1159942683 /nfs/dbraw/zinc/94/26/83/1159942683.db2.gz BOICPGJXBLZUNG-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001482555866 1160390355 /nfs/dbraw/zinc/39/03/55/1160390355.db2.gz CXOAMKOULXLXLN-HZPDHXFCSA-N 2 1 293.455 1.613 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C(C)C ZINC001715500401 1179684978 /nfs/dbraw/zinc/68/49/78/1179684978.db2.gz FXVXSDMVDARNOM-HNNXBMFYSA-N 2 1 295.471 1.718 10 30 CDEEMP C=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001717450911 1180676905 /nfs/dbraw/zinc/67/69/05/1180676905.db2.gz CHEJYABTKFSSHR-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001731637491 1182495059 /nfs/dbraw/zinc/49/50/59/1182495059.db2.gz NXTHCUOKQAMBIO-LBPRGKRZSA-N 2 1 264.373 1.252 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#CC[NH3+])cc1)[C@H]1CCSC1 ZINC000049608994 522904510 /nfs/dbraw/zinc/90/45/10/522904510.db2.gz RODVNKNPDSWJFU-HNNXBMFYSA-N 2 1 290.432 1.813 10 30 CDEEMP CC[C@H]1C[N@H+](CCOc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049609176 523279654 /nfs/dbraw/zinc/27/96/54/523279654.db2.gz RWEJDGFCFDYWES-INIZCTEOSA-N 2 1 288.391 1.486 10 30 CDEEMP CC[C@H]1C[N@@H+](CCOc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049609176 523279661 /nfs/dbraw/zinc/27/96/61/523279661.db2.gz RWEJDGFCFDYWES-INIZCTEOSA-N 2 1 288.391 1.486 10 30 CDEEMP C[N@@H+](Cc1ccccc1C#CC[NH3+])C1CCOCC1 ZINC000049609336 523357161 /nfs/dbraw/zinc/35/71/61/523357161.db2.gz XNRFYAZMNBKHOP-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@@H]2CCO)c(F)c1 ZINC000049608680 527149187 /nfs/dbraw/zinc/14/91/87/527149187.db2.gz NDGMLHRWPWPNKR-MRXNPFEDSA-N 2 1 290.382 1.873 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001690183504 1175397044 /nfs/dbraw/zinc/39/70/44/1175397044.db2.gz ANVYOBHQNXWYLL-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001690183504 1175397054 /nfs/dbraw/zinc/39/70/54/1175397054.db2.gz ANVYOBHQNXWYLL-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001690183504 1175397063 /nfs/dbraw/zinc/39/70/63/1175397063.db2.gz ANVYOBHQNXWYLL-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941221623 613522264 /nfs/dbraw/zinc/52/22/64/613522264.db2.gz YXJGOJLJZIENRC-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221623 613522266 /nfs/dbraw/zinc/52/22/66/613522266.db2.gz YXJGOJLJZIENRC-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941221623 613522268 /nfs/dbraw/zinc/52/22/68/613522268.db2.gz YXJGOJLJZIENRC-LSDHHAIUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000900307457 622877168 /nfs/dbraw/zinc/87/71/68/622877168.db2.gz JGMSKBQTARAHQA-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000900539785 623218363 /nfs/dbraw/zinc/21/83/63/623218363.db2.gz GRAGNIORLJDJSK-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000913815904 630794918 /nfs/dbraw/zinc/79/49/18/630794918.db2.gz UIESULRFFYKNDU-KGLIPLIRSA-N 2 1 265.401 1.189 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[NH+](C)C1CCC1 ZINC001691183453 1158949346 /nfs/dbraw/zinc/94/93/46/1158949346.db2.gz BTFGXVOMFMMTFR-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@H+](C)C1CCC1 ZINC001691183453 1158949351 /nfs/dbraw/zinc/94/93/51/1158949351.db2.gz BTFGXVOMFMMTFR-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001691183453 1158949357 /nfs/dbraw/zinc/94/93/57/1158949357.db2.gz BTFGXVOMFMMTFR-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001691220735 1158962816 /nfs/dbraw/zinc/96/28/16/1158962816.db2.gz FIRFLQLWJFYQMT-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001691220735 1158962820 /nfs/dbraw/zinc/96/28/20/1158962820.db2.gz FIRFLQLWJFYQMT-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001691220735 1158962823 /nfs/dbraw/zinc/96/28/23/1158962823.db2.gz FIRFLQLWJFYQMT-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691410650 1159061601 /nfs/dbraw/zinc/06/16/01/1159061601.db2.gz RLFLIRCFWGXQPM-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691410650 1159061609 /nfs/dbraw/zinc/06/16/09/1159061609.db2.gz RLFLIRCFWGXQPM-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001691410650 1159061618 /nfs/dbraw/zinc/06/16/18/1159061618.db2.gz RLFLIRCFWGXQPM-CVEARBPZSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001724742413 1158624869 /nfs/dbraw/zinc/62/48/69/1158624869.db2.gz AACAQRHXNCKMBL-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001567146818 1168596422 /nfs/dbraw/zinc/59/64/22/1168596422.db2.gz JNVFTABUQPNHCH-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001567227904 1168630611 /nfs/dbraw/zinc/63/06/11/1168630611.db2.gz YUMMFEQOGSXREN-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)C[N@H+](C)CCC)c1ccccc1 ZINC001567665834 1168909503 /nfs/dbraw/zinc/90/95/03/1168909503.db2.gz MGCRADZBVVUZSQ-MRXNPFEDSA-N 2 1 287.407 1.409 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001570804742 1170282105 /nfs/dbraw/zinc/28/21/05/1170282105.db2.gz URQNQVCWGZMHGQ-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CC[N@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661871740 1172460178 /nfs/dbraw/zinc/46/01/78/1172460178.db2.gz YOIBXQHADQOQAZ-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1c[nH+]cc1C ZINC001661871740 1172460187 /nfs/dbraw/zinc/46/01/87/1172460187.db2.gz YOIBXQHADQOQAZ-AWEZNQCLSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC001583315563 1172753419 /nfs/dbraw/zinc/75/34/19/1172753419.db2.gz KNLPOQAQZWKESG-JSGCOSHPSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001664722246 1172898847 /nfs/dbraw/zinc/89/88/47/1172898847.db2.gz RLUIFLSDYGQLSW-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001664754816 1172904268 /nfs/dbraw/zinc/90/42/68/1172904268.db2.gz IRWSRTXCYOKOJF-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664754816 1172904279 /nfs/dbraw/zinc/90/42/79/1172904279.db2.gz IRWSRTXCYOKOJF-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001664754816 1172904284 /nfs/dbraw/zinc/90/42/84/1172904284.db2.gz IRWSRTXCYOKOJF-GJZGRUSLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001664811899 1172914717 /nfs/dbraw/zinc/91/47/17/1172914717.db2.gz KEPIANLJRZVAAC-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001671900593 1173721027 /nfs/dbraw/zinc/72/10/27/1173721027.db2.gz CYKFJNWHMSARGT-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001673131303 1173826777 /nfs/dbraw/zinc/82/67/77/1173826777.db2.gz DQAKCRSGLRTFJA-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001690226475 1175408891 /nfs/dbraw/zinc/40/88/91/1175408891.db2.gz YXWHGVLVIVZQQP-HZSPNIEDSA-N 2 1 265.401 1.093 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001690843017 1175588686 /nfs/dbraw/zinc/58/86/86/1175588686.db2.gz KDDDXVMZZIJMRO-SOUVJXGZSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001698564557 1175847521 /nfs/dbraw/zinc/84/75/21/1175847521.db2.gz WKAVNMCJGVFGMC-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001698564557 1175847526 /nfs/dbraw/zinc/84/75/26/1175847526.db2.gz WKAVNMCJGVFGMC-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001698564557 1175847532 /nfs/dbraw/zinc/84/75/32/1175847532.db2.gz WKAVNMCJGVFGMC-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001699023943 1176047317 /nfs/dbraw/zinc/04/73/17/1176047317.db2.gz WGWYHUBDHMTGQK-HZPDHXFCSA-N 2 1 291.439 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C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC001716501286 1180256722 /nfs/dbraw/zinc/25/67/22/1180256722.db2.gz CLWXHAKEIRIMJP-CQSZACIVSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001716796304 1180418982 /nfs/dbraw/zinc/41/89/82/1180418982.db2.gz VVCYFVOFMQBXBF-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001717292346 1180606815 /nfs/dbraw/zinc/60/68/15/1180606815.db2.gz TVYVWRACHHAZHD-ZFWWWQNUSA-N 2 1 290.411 1.594 10 30 CDEEMP C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@H]1CCC[N@H+]1C ZINC001717531249 1180725381 /nfs/dbraw/zinc/72/53/81/1180725381.db2.gz GMBRBTOPHDUPOS-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001717623845 1180762624 /nfs/dbraw/zinc/76/26/24/1180762624.db2.gz NUTNQDPYMHVMDV-KKUMJFAQSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001724644734 1181715166 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C#CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001724969383 1181811424 /nfs/dbraw/zinc/81/14/24/1181811424.db2.gz HRYMGBCRHAJBFR-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001724969383 1181811428 /nfs/dbraw/zinc/81/14/28/1181811428.db2.gz HRYMGBCRHAJBFR-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001724969383 1181811433 /nfs/dbraw/zinc/81/14/33/1181811433.db2.gz HRYMGBCRHAJBFR-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001731509757 1182427737 /nfs/dbraw/zinc/42/77/37/1182427737.db2.gz AXMRFRKXPBYABX-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001731835417 1182615506 /nfs/dbraw/zinc/61/55/06/1182615506.db2.gz VKPCRQRJMMAZPQ-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732399319 1182945560 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C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000876778571 1165914710 /nfs/dbraw/zinc/91/47/10/1165914710.db2.gz IQRICUANRILLHY-ZDUSSCGKSA-N 2 1 299.846 1.933 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000876979554 1165952599 /nfs/dbraw/zinc/95/25/99/1165952599.db2.gz JYDZVTFDEZHTSR-KBPBESRZSA-N 2 1 299.846 1.695 10 30 CDEEMP C=CCC[C@H](O)C[N@H+](CCOC)CC1CC[NH+](C)CC1 ZINC000879125252 1166301597 /nfs/dbraw/zinc/30/15/97/1166301597.db2.gz VJFUGFIGNSKXRO-INIZCTEOSA-N 2 1 284.444 1.604 10 30 CDEEMP C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)CCC1CCOCC1 ZINC000261936610 796833309 /nfs/dbraw/zinc/83/33/09/796833309.db2.gz COLWSKKOZHDOHB-HNNXBMFYSA-N 2 1 296.459 1.405 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001275039391 1166655288 /nfs/dbraw/zinc/65/52/88/1166655288.db2.gz SSBXYLKCJLULEH-HIFRSBDPSA-N 2 1 275.396 1.570 10 30 CDEEMP C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+](C(C)C)C1 ZINC001641720032 1167132151 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1 281.444 1.729 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001571408676 1167594986 /nfs/dbraw/zinc/59/49/86/1167594986.db2.gz WHDSDHXBLSJJHZ-HOTGVXAUSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001565878750 1168065132 /nfs/dbraw/zinc/06/51/32/1168065132.db2.gz PDMFCTZTGSZRSS-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[N@@H+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001566465216 1168289173 /nfs/dbraw/zinc/28/91/73/1168289173.db2.gz KEIUUUPYTJOUDD-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001566465216 1168289183 /nfs/dbraw/zinc/28/91/83/1168289183.db2.gz KEIUUUPYTJOUDD-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+](C)CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001566465216 1168289190 /nfs/dbraw/zinc/28/91/90/1168289190.db2.gz KEIUUUPYTJOUDD-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[N@@H+](CCC)CCNC(=O)C[NH+]1CCC(C)CC1 ZINC001567431933 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C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267107450 896809603 /nfs/dbraw/zinc/80/96/03/896809603.db2.gz GSBPAAITPDDFRX-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C=CCC[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)CC ZINC001267279917 897454446 /nfs/dbraw/zinc/45/44/46/897454446.db2.gz NKTMLDHSTHPARE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001267279917 897454458 /nfs/dbraw/zinc/45/44/58/897454458.db2.gz NKTMLDHSTHPARE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001267279917 897454470 /nfs/dbraw/zinc/45/44/70/897454470.db2.gz NKTMLDHSTHPARE-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CC[NH2+]CCN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001267373093 897748968 /nfs/dbraw/zinc/74/89/68/897748968.db2.gz MPSZPPFQELLZLP-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CC(C)C)CC1 ZINC001480951299 898110153 /nfs/dbraw/zinc/11/01/53/898110153.db2.gz VZXVCRRYMZBKON-UHFFFAOYSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001267602323 898716052 /nfs/dbraw/zinc/71/60/52/898716052.db2.gz ZLTQFLMRHZCGHG-INIZCTEOSA-N 2 1 291.439 1.324 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001267604282 898792624 /nfs/dbraw/zinc/79/26/24/898792624.db2.gz LVZJGPWCMAJEQB-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001267604282 898792634 /nfs/dbraw/zinc/79/26/34/898792634.db2.gz LVZJGPWCMAJEQB-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CCC)CC1 ZINC001267604282 898792641 /nfs/dbraw/zinc/79/26/41/898792641.db2.gz LVZJGPWCMAJEQB-UHFFFAOYSA-N 2 1 281.444 1.685 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001267646765 899153338 /nfs/dbraw/zinc/15/33/38/899153338.db2.gz RSPXTRVDXOYJHM-HZPDHXFCSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646765 899153343 /nfs/dbraw/zinc/15/33/43/899153343.db2.gz RSPXTRVDXOYJHM-HZPDHXFCSA-N 2 1 291.439 1.273 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001267646765 899153348 /nfs/dbraw/zinc/15/33/48/899153348.db2.gz RSPXTRVDXOYJHM-HZPDHXFCSA-N 2 1 291.439 1.273 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267988926 900205496 /nfs/dbraw/zinc/20/54/96/900205496.db2.gz BYTFNTOLBKQFPB-UONOGXRCSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267989559 900209156 /nfs/dbraw/zinc/20/91/56/900209156.db2.gz MOPWKSIHORQJIL-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001481373110 900505417 /nfs/dbraw/zinc/50/54/17/900505417.db2.gz UZWXGDXVUBLFCG-DOTOQJQBSA-N 2 1 299.418 1.409 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C)CC2)C1 ZINC001481446225 900686059 /nfs/dbraw/zinc/68/60/59/900686059.db2.gz FMBZHMBBNVTKBY-HNNXBMFYSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001481528477 901079813 /nfs/dbraw/zinc/07/98/13/901079813.db2.gz OENFHQRPZKNWBE-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481528477 901079831 /nfs/dbraw/zinc/07/98/31/901079831.db2.gz OENFHQRPZKNWBE-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001481528477 901079845 /nfs/dbraw/zinc/07/98/45/901079845.db2.gz OENFHQRPZKNWBE-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001268213919 901586629 /nfs/dbraw/zinc/58/66/29/901586629.db2.gz QDTGZTYKWITSNB-SOUVJXGZSA-N 2 1 279.428 1.080 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001268404207 902003524 /nfs/dbraw/zinc/00/35/24/902003524.db2.gz RPKKBDLETWEQPH-HOTGVXAUSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001268769228 903103219 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CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001272043743 907685494 /nfs/dbraw/zinc/68/54/94/907685494.db2.gz NIIFBHXURMPARD-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001272043743 907685498 /nfs/dbraw/zinc/68/54/98/907685498.db2.gz NIIFBHXURMPARD-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001482848090 908425324 /nfs/dbraw/zinc/42/53/24/908425324.db2.gz LFVPWCGGNGXJBW-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[C@H](C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000714994622 909774984 /nfs/dbraw/zinc/77/49/84/909774984.db2.gz ACIWOJFHOXLKAU-RRFJBIMHSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C ZINC001483384543 911025715 /nfs/dbraw/zinc/02/57/15/911025715.db2.gz PKHBWNKUMVGVLV-CYBMUJFWSA-N 2 1 267.417 1.034 10 30 CDEEMP C#CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001483384543 911025733 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C=CCC[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001484904866 916258109 /nfs/dbraw/zinc/25/81/09/916258109.db2.gz BZSBBHBNQBYVKN-OCCSQVGLSA-N 2 1 276.384 1.204 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001484941841 916299706 /nfs/dbraw/zinc/29/97/06/916299706.db2.gz LCKCEWBOYBJFOW-ZIAGYGMSSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)CN(C)Cc1ccccc1 ZINC001485390981 916925062 /nfs/dbraw/zinc/92/50/62/916925062.db2.gz LXFHERIEKLUUNG-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001485390981 916925067 /nfs/dbraw/zinc/92/50/67/916925067.db2.gz LXFHERIEKLUUNG-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001485390981 916925075 /nfs/dbraw/zinc/92/50/75/916925075.db2.gz LXFHERIEKLUUNG-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485390981 916925078 /nfs/dbraw/zinc/92/50/78/916925078.db2.gz LXFHERIEKLUUNG-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CC[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)Cc1ccccc1 ZINC001485390981 916925082 /nfs/dbraw/zinc/92/50/82/916925082.db2.gz LXFHERIEKLUUNG-OAHLLOKOSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001276380641 936621696 /nfs/dbraw/zinc/62/16/96/936621696.db2.gz BTLVAWIUYRIZGL-IIAWOOMASA-N 2 1 293.455 1.729 10 30 CDEEMP C#C[C@@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCCO1 ZINC000775350671 921835161 /nfs/dbraw/zinc/83/51/61/921835161.db2.gz POLYYJOUCVBORX-SJORKVTESA-N 2 1 296.374 1.846 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001491031763 936844199 /nfs/dbraw/zinc/84/41/99/936844199.db2.gz PWZROLQJVBUBOC-TXEJJXNPSA-N 2 1 292.383 1.163 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001491130590 936861212 /nfs/dbraw/zinc/86/12/12/936861212.db2.gz OEAGPCUTLBPGLX-HNNXBMFYSA-N 2 1 279.428 1.487 10 30 CDEEMP 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C=CCC(F)(F)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855347111 928397324 /nfs/dbraw/zinc/39/73/24/928397324.db2.gz TZGGYWMBDFIKQG-LBPRGKRZSA-N 2 1 291.386 1.586 10 30 CDEEMP C=CCC(F)(F)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000855347111 928397334 /nfs/dbraw/zinc/39/73/34/928397334.db2.gz TZGGYWMBDFIKQG-LBPRGKRZSA-N 2 1 291.386 1.586 10 30 CDEEMP COCCN(C)c1ccc(C=[NH+][N-]c2ccncc2C)cn1 ZINC000863158394 929511335 /nfs/dbraw/zinc/51/13/35/929511335.db2.gz ZYQHWPPZZHDLGK-UHFFFAOYSA-N 2 1 299.378 1.736 10 30 CDEEMP CC#CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001275656630 931934324 /nfs/dbraw/zinc/93/43/24/931934324.db2.gz IDAZIRMHVKYWOC-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP CC(C)[N@@H+](C)CCNC(=[NH2+])NCCc1cccs1 ZINC000303979048 935048918 /nfs/dbraw/zinc/04/89/18/935048918.db2.gz MSOWHRFGKIKQGM-UHFFFAOYSA-N 2 1 268.430 1.535 10 30 CDEEMP COCC[N@H+]1CCC[C@H]1CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303975543 935049029 /nfs/dbraw/zinc/04/90/29/935049029.db2.gz JEOZPLBHXDUIJP-KBPBESRZSA-N 2 1 282.432 1.144 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCCC1 ZINC001278258953 945219366 /nfs/dbraw/zinc/21/93/66/945219366.db2.gz IVQGVXMJNIDQIT-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001277210163 942178395 /nfs/dbraw/zinc/17/83/95/942178395.db2.gz JFVXVCYPICVQBS-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCC1 ZINC001280480102 942451136 /nfs/dbraw/zinc/45/11/36/942451136.db2.gz AYIBQGSPCKEDKO-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[NH2+]CC(C)(C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001282303119 942686458 /nfs/dbraw/zinc/68/64/58/942686458.db2.gz LZPIOGSQACGIEM-UHFFFAOYSA-N 2 1 292.427 1.842 10 30 CDEEMP C#CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282400874 942707345 /nfs/dbraw/zinc/70/73/45/942707345.db2.gz CHHBOCHGIBZYEJ-KBPBESRZSA-N 2 1 267.417 1.032 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001277883253 943943076 /nfs/dbraw/zinc/94/30/76/943943076.db2.gz DULHMYSFTOAGGO-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001263819346 943987616 /nfs/dbraw/zinc/98/76/16/943987616.db2.gz SBDBIOQWGVLEII-HUUCEWRRSA-N 2 1 281.444 1.681 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001277924185 944061678 /nfs/dbraw/zinc/06/16/78/944061678.db2.gz BMHTVAFBXDSDIG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001264187042 944095533 /nfs/dbraw/zinc/09/55/33/944095533.db2.gz CDJYLWAQYQOBKA-JKSUJKDBSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)CC[NH+](C)C ZINC001264371079 944114145 /nfs/dbraw/zinc/11/41/45/944114145.db2.gz PCRNPOHEYLVEAS-CABCVRRESA-N 2 1 281.444 1.826 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265208028 944277212 /nfs/dbraw/zinc/27/72/12/944277212.db2.gz OSLWUASGRVISGE-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265208028 944277217 /nfs/dbraw/zinc/27/72/17/944277217.db2.gz OSLWUASGRVISGE-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001265208028 944277225 /nfs/dbraw/zinc/27/72/25/944277225.db2.gz OSLWUASGRVISGE-HUUCEWRRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001265812917 944518020 /nfs/dbraw/zinc/51/80/20/944518020.db2.gz GZQKODUIFJWWHS-KKUMJFAQSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CCF)CC1 ZINC001280883242 944559713 /nfs/dbraw/zinc/55/97/13/944559713.db2.gz HXKAOVCYRFNNDN-UHFFFAOYSA-N 2 1 297.418 1.081 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265931134 944578567 /nfs/dbraw/zinc/57/85/67/944578567.db2.gz YOVCHAGAMKDOQF-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001266054115 944657517 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HLVSPQYILNUEIK-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001322167876 960119489 /nfs/dbraw/zinc/11/94/89/960119489.db2.gz HLVSPQYILNUEIK-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1CCC ZINC001322167876 960119495 /nfs/dbraw/zinc/11/94/95/960119495.db2.gz HLVSPQYILNUEIK-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001322262121 960157408 /nfs/dbraw/zinc/15/74/08/960157408.db2.gz MNSLJNCSSRZIBN-AWEZNQCLSA-N 2 1 287.407 1.432 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001322305584 960176595 /nfs/dbraw/zinc/17/65/95/960176595.db2.gz FMURRUDFDUCBFW-GOEBONIOSA-N 2 1 287.407 1.359 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001322305584 960176603 /nfs/dbraw/zinc/17/66/03/960176603.db2.gz FMURRUDFDUCBFW-GOEBONIOSA-N 2 1 287.407 1.359 10 30 CDEEMP 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CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001497843592 973546633 /nfs/dbraw/zinc/54/66/33/973546633.db2.gz TUAIQCNXAMWDDF-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001498504662 973952230 /nfs/dbraw/zinc/95/22/30/973952230.db2.gz PASAGJVTNXRCHN-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC001499261929 974224656 /nfs/dbraw/zinc/22/46/56/974224656.db2.gz RIWPEYXWKOGOIY-LSDHHAIUSA-N 2 1 291.439 1.818 10 30 CDEEMP C=CC[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+](C)C)C[C@H]2C1 ZINC001501240222 974553286 /nfs/dbraw/zinc/55/32/86/974553286.db2.gz IWTLYXNPTGHRCI-GASCZTMLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001501404560 974578258 /nfs/dbraw/zinc/57/82/58/974578258.db2.gz SJQWBSWIKIAQFL-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001501404560 974578262 /nfs/dbraw/zinc/57/82/62/974578262.db2.gz SJQWBSWIKIAQFL-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001501404560 974578267 /nfs/dbraw/zinc/57/82/67/974578267.db2.gz SJQWBSWIKIAQFL-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001376727369 974745159 /nfs/dbraw/zinc/74/51/59/974745159.db2.gz BSYBZQQPAIXHHF-IJLUTSLNSA-N 2 1 273.808 1.173 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001502972651 974807931 /nfs/dbraw/zinc/80/79/31/974807931.db2.gz ZMRSLMYMNSZXJZ-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001505980761 975069454 /nfs/dbraw/zinc/06/94/54/975069454.db2.gz JKMPPQBNMIIQSO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001505980761 975069456 /nfs/dbraw/zinc/06/94/56/975069456.db2.gz JKMPPQBNMIIQSO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001505980761 975069463 /nfs/dbraw/zinc/06/94/63/975069463.db2.gz JKMPPQBNMIIQSO-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001506179703 975121404 /nfs/dbraw/zinc/12/14/04/975121404.db2.gz UUBZTIVGIHEKAR-OAGGEKHMSA-N 2 1 295.471 1.975 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001377766437 975132359 /nfs/dbraw/zinc/13/23/59/975132359.db2.gz NMRULVVPRTXSDC-KBPBESRZSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001377766437 975132360 /nfs/dbraw/zinc/13/23/60/975132360.db2.gz NMRULVVPRTXSDC-KBPBESRZSA-N 2 1 299.846 1.471 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001377766437 975132362 /nfs/dbraw/zinc/13/23/62/975132362.db2.gz NMRULVVPRTXSDC-KBPBESRZSA-N 2 1 299.846 1.471 10 30 CDEEMP C#CC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506541723 975176345 /nfs/dbraw/zinc/17/63/45/975176345.db2.gz JVVQAZKPOWRLOD-RBSFLKMASA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[N@H+]1CC[C@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001507355117 975428877 /nfs/dbraw/zinc/42/88/77/975428877.db2.gz KOGBTEJFLMIDRA-BFYDXBDKSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001401866334 975958040 /nfs/dbraw/zinc/95/80/40/975958040.db2.gz JJJSIOMYJXZNNL-BXUZGUMPSA-N 2 1 299.846 1.565 10 30 CDEEMP C=CCC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001674681172 1173986783 /nfs/dbraw/zinc/98/67/83/1173986783.db2.gz PLNIAJLDDNPXOH-OLZOCXBDSA-N 2 1 267.417 1.530 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C(C)(C)C ZINC001677281469 1174345431 /nfs/dbraw/zinc/34/54/31/1174345431.db2.gz JLRZNOZABKKSCV-KBPBESRZSA-N 2 1 281.444 1.635 10 30 CDEEMP CC#CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001570753347 1170271484 /nfs/dbraw/zinc/27/14/84/1170271484.db2.gz HQUZMKFUJWMFPG-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001570753347 1170271488 /nfs/dbraw/zinc/27/14/88/1170271488.db2.gz HQUZMKFUJWMFPG-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001570753347 1170271497 /nfs/dbraw/zinc/27/14/97/1170271497.db2.gz HQUZMKFUJWMFPG-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH+]1CC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001570843628 1170297652 /nfs/dbraw/zinc/29/76/52/1170297652.db2.gz LWNIVPPAEPGIKV-HIFRSBDPSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CCC[NH2+][C@H]1CN(C(=O)Cn2c[nH+]cc2C)CC1(C)C ZINC001571561284 1170477460 /nfs/dbraw/zinc/47/74/60/1170477460.db2.gz RKMYBFUUCJZRET-AWEZNQCLSA-N 2 1 290.411 1.594 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001654156134 1171595394 /nfs/dbraw/zinc/59/53/94/1171595394.db2.gz GQPIIAGSNZEZGJ-GOEBONIOSA-N 2 1 287.407 1.407 10 30 CDEEMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccnc(C#N)c3)C2)C1 ZINC000590191692 342524351 /nfs/dbraw/zinc/52/43/51/342524351.db2.gz NYOWEOSNRZTTEO-MRXNPFEDSA-N 2 1 270.380 1.871 10 30 CDEEMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000651706702 398156641 /nfs/dbraw/zinc/15/66/41/398156641.db2.gz KFGQHGUPQCWJBF-OWCLPIDISA-N 2 1 293.455 1.908 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000594439423 342906803 /nfs/dbraw/zinc/90/68/03/342906803.db2.gz VTOPSCASUCYWMT-ZIAGYGMSSA-N 2 1 278.400 1.094 10 30 CDEEMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000594439423 342906804 /nfs/dbraw/zinc/90/68/04/342906804.db2.gz VTOPSCASUCYWMT-ZIAGYGMSSA-N 2 1 278.400 1.094 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCCC1 ZINC000597943079 343674952 /nfs/dbraw/zinc/67/49/52/343674952.db2.gz TYKQQWXZZZMDLQ-AWEZNQCLSA-N 2 1 294.443 1.459 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C#N)CCCC1 ZINC000597943079 343674956 /nfs/dbraw/zinc/67/49/56/343674956.db2.gz TYKQQWXZZZMDLQ-AWEZNQCLSA-N 2 1 294.443 1.459 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001660826818 1172282755 /nfs/dbraw/zinc/28/27/55/1172282755.db2.gz ZZSXDRSXMRNWHZ-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001660826818 1172282764 /nfs/dbraw/zinc/28/27/64/1172282764.db2.gz ZZSXDRSXMRNWHZ-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001660826818 1172282773 /nfs/dbraw/zinc/28/27/73/1172282773.db2.gz ZZSXDRSXMRNWHZ-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CCC[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000361529845 368877382 /nfs/dbraw/zinc/87/73/82/368877382.db2.gz HERCUYVVRDZBEW-UHFFFAOYSA-N 2 1 259.353 1.626 10 30 CDEEMP C[N@H+]1CCN(CCNCc2nc(C#N)cs2)CC1(C)C ZINC000352863141 374363597 /nfs/dbraw/zinc/36/35/97/374363597.db2.gz SSOVPMVQRJTPEU-UHFFFAOYSA-N 2 1 293.440 1.130 10 30 CDEEMP C[N@H+]1CCN(CC[NH2+]Cc2nc(C#N)cs2)CC1(C)C ZINC000352863141 374363606 /nfs/dbraw/zinc/36/36/06/374363606.db2.gz SSOVPMVQRJTPEU-UHFFFAOYSA-N 2 1 293.440 1.130 10 30 CDEEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc(C#N)cs1 ZINC000352836422 374370419 /nfs/dbraw/zinc/37/04/19/374370419.db2.gz TYVNDWNNIKVFJV-JTQLQIEISA-N 2 1 275.381 1.946 10 30 CDEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001661866510 1172459592 /nfs/dbraw/zinc/45/95/92/1172459592.db2.gz PBXIVOKGCPUWQA-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001661866510 1172459598 /nfs/dbraw/zinc/45/95/98/1172459598.db2.gz PBXIVOKGCPUWQA-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001661866510 1172459610 /nfs/dbraw/zinc/45/96/10/1172459610.db2.gz PBXIVOKGCPUWQA-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000246623583 376958413 /nfs/dbraw/zinc/95/84/13/376958413.db2.gz BZFSIHJEAHOSDF-KKUMJFAQSA-N 2 1 254.418 1.976 10 30 CDEEMP C=CCC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246623583 376958419 /nfs/dbraw/zinc/95/84/19/376958419.db2.gz BZFSIHJEAHOSDF-KKUMJFAQSA-N 2 1 254.418 1.976 10 30 CDEEMP C=CCC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246623583 376958428 /nfs/dbraw/zinc/95/84/28/376958428.db2.gz BZFSIHJEAHOSDF-KKUMJFAQSA-N 2 1 254.418 1.976 10 30 CDEEMP C[C@H]1COCCC[NH+]1CC#CC[N@H+]1CCCOC[C@@H]1C ZINC000671242373 483190711 /nfs/dbraw/zinc/19/07/11/483190711.db2.gz MQSJOMYEPVZXLJ-HOTGVXAUSA-N 2 1 280.412 1.211 10 30 CDEEMP C[C@H]1COCCC[NH+]1CC#CC[N@@H+]1CCCOC[C@@H]1C ZINC000671242373 483190714 /nfs/dbraw/zinc/19/07/14/483190714.db2.gz MQSJOMYEPVZXLJ-HOTGVXAUSA-N 2 1 280.412 1.211 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000649334335 392055648 /nfs/dbraw/zinc/05/56/48/392055648.db2.gz KYIBMXZIXGCXGG-GJZGRUSLSA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000649334335 392055653 /nfs/dbraw/zinc/05/56/53/392055653.db2.gz KYIBMXZIXGCXGG-GJZGRUSLSA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000649334335 392055659 /nfs/dbraw/zinc/05/56/59/392055659.db2.gz KYIBMXZIXGCXGG-GJZGRUSLSA-N 2 1 252.402 1.587 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000649334335 392055665 /nfs/dbraw/zinc/05/56/65/392055665.db2.gz KYIBMXZIXGCXGG-GJZGRUSLSA-N 2 1 252.402 1.587 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001664811901 1172915074 /nfs/dbraw/zinc/91/50/74/1172915074.db2.gz KEPIANLJRZVAAC-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001664811901 1172915081 /nfs/dbraw/zinc/91/50/81/1172915081.db2.gz KEPIANLJRZVAAC-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001664811901 1172915099 /nfs/dbraw/zinc/91/50/99/1172915099.db2.gz KEPIANLJRZVAAC-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CCCC[N@H+](CC(N)=O)Cc1sccc1C#CC[NH3+] ZINC000043684242 175092656 /nfs/dbraw/zinc/09/26/56/175092656.db2.gz IVJKVHLBUQGNEJ-UHFFFAOYSA-N 2 1 279.409 1.146 10 30 CDEEMP CCCC[N@@H+](CC(N)=O)Cc1sccc1C#CC[NH3+] ZINC000043684242 175092657 /nfs/dbraw/zinc/09/26/57/175092657.db2.gz IVJKVHLBUQGNEJ-UHFFFAOYSA-N 2 1 279.409 1.146 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001666619534 1173162003 /nfs/dbraw/zinc/16/20/03/1173162003.db2.gz FEISMGQBHUJCSA-CQSZACIVSA-N 2 1 281.444 1.330 10 30 CDEEMP C=CC[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662720212 424373790 /nfs/dbraw/zinc/37/37/90/424373790.db2.gz WBZVCGJHEPEVBI-HOCLYGCPSA-N 2 1 277.412 1.380 10 30 CDEEMP C=CCCC[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000121094149 267553394 /nfs/dbraw/zinc/55/33/94/267553394.db2.gz JLJZAKBWFJGPCN-UHFFFAOYSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001667635257 1173303427 /nfs/dbraw/zinc/30/34/27/1173303427.db2.gz YCJPMUCDEQBZFY-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001667635257 1173303432 /nfs/dbraw/zinc/30/34/32/1173303432.db2.gz YCJPMUCDEQBZFY-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001669140224 1173508477 /nfs/dbraw/zinc/50/84/77/1173508477.db2.gz XAFGUZQBSOQUFY-FOSCPCJNSA-N 2 1 279.428 1.556 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000262491852 330017356 /nfs/dbraw/zinc/01/73/56/330017356.db2.gz JKPJTJZFDPBZOT-MXASKKJJSA-N 2 1 298.434 1.713 10 30 CDEEMP C=CCC[N@@H+](CCC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267320423 1159264371 /nfs/dbraw/zinc/26/43/71/1159264371.db2.gz JNELSWOQIIUGRH-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267320423 1159264375 /nfs/dbraw/zinc/26/43/75/1159264375.db2.gz JNELSWOQIIUGRH-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCC[NH+](CCC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267320423 1159264380 /nfs/dbraw/zinc/26/43/80/1159264380.db2.gz JNELSWOQIIUGRH-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001481269168 1159602247 /nfs/dbraw/zinc/60/22/47/1159602247.db2.gz BVCXKMXLAOMZPU-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001483337632 1160907415 /nfs/dbraw/zinc/90/74/15/1160907415.db2.gz MVNAARJTTHETAG-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483337632 1160907418 /nfs/dbraw/zinc/90/74/18/1160907418.db2.gz MVNAARJTTHETAG-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483337632 1160907425 /nfs/dbraw/zinc/90/74/25/1160907425.db2.gz MVNAARJTTHETAG-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001707386804 1178008089 /nfs/dbraw/zinc/00/80/89/1178008089.db2.gz YWZPGTQAUFREGI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001707386804 1178008097 /nfs/dbraw/zinc/00/80/97/1178008097.db2.gz YWZPGTQAUFREGI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001707386804 1178008105 /nfs/dbraw/zinc/00/81/05/1178008105.db2.gz YWZPGTQAUFREGI-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731791875 1182583609 /nfs/dbraw/zinc/58/36/09/1182583609.db2.gz MOSBNKUBBWFITK-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001733065429 1183272988 /nfs/dbraw/zinc/27/29/88/1183272988.db2.gz IILIIWQBQLRGMR-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001733065429 1183272994 /nfs/dbraw/zinc/27/29/94/1183272994.db2.gz IILIIWQBQLRGMR-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1CC ZINC001733065429 1183272999 /nfs/dbraw/zinc/27/29/99/1183272999.db2.gz IILIIWQBQLRGMR-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP Cn1cc(C[N@@H+](C)Cc2cccc(C#CC[NH3+])c2)cn1 ZINC000049609824 523515416 /nfs/dbraw/zinc/51/54/16/523515416.db2.gz HDFJWGBEFCDALR-UHFFFAOYSA-N 2 1 268.364 1.362 10 30 CDEEMP COc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1C#CC[NH3+] ZINC000049608441 524040509 /nfs/dbraw/zinc/04/05/09/524040509.db2.gz LLYRZQLGRYVEFX-ZIAGYGMSSA-N 2 1 288.391 1.615 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741707439 576568704 /nfs/dbraw/zinc/56/87/04/576568704.db2.gz FROJVBJKOJSUFB-ZNMIVQPWSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741707439 576568706 /nfs/dbraw/zinc/56/87/06/576568706.db2.gz FROJVBJKOJSUFB-ZNMIVQPWSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741707439 576568710 /nfs/dbraw/zinc/56/87/10/576568710.db2.gz FROJVBJKOJSUFB-ZNMIVQPWSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741707439 576568712 /nfs/dbraw/zinc/56/87/12/576568712.db2.gz FROJVBJKOJSUFB-ZNMIVQPWSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CCCC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000766899668 576144432 /nfs/dbraw/zinc/14/44/32/576144432.db2.gz DCGJHNHTQQKQMZ-INIZCTEOSA-N 2 1 263.429 1.502 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000900241435 622823084 /nfs/dbraw/zinc/82/30/84/622823084.db2.gz STAHBPIRNSNQOQ-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000900856958 623573664 /nfs/dbraw/zinc/57/36/64/623573664.db2.gz DIBBHBCPAYUZHI-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CC[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903151770 625877440 /nfs/dbraw/zinc/87/74/40/625877440.db2.gz KERIEWYIQOPHJX-YPRXJGMQSA-N 2 1 250.386 1.671 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001691112093 1158915249 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10 30 CDEEMP C#CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCC1 ZINC001665947907 1173090325 /nfs/dbraw/zinc/09/03/25/1173090325.db2.gz ATDKVFYZQRDIDE-HNNXBMFYSA-N 2 1 291.439 1.370 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001668117128 1173370786 /nfs/dbraw/zinc/37/07/86/1173370786.db2.gz DCMWALWCKGJQBL-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCCC[NH+](C)C)[C@@H]2C1 ZINC001675552839 1174126566 /nfs/dbraw/zinc/12/65/66/1174126566.db2.gz IDAPOFHPEWFAQN-PHZGNYQRSA-N 2 1 293.455 1.588 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001676056638 1174177819 /nfs/dbraw/zinc/17/78/19/1174177819.db2.gz BEOFZWWOXQTOIM-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001676056638 1174177821 /nfs/dbraw/zinc/17/78/21/1174177821.db2.gz BEOFZWWOXQTOIM-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CCC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001676056638 1174177824 /nfs/dbraw/zinc/17/78/24/1174177824.db2.gz BEOFZWWOXQTOIM-MRXNPFEDSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001689805383 1174666450 /nfs/dbraw/zinc/66/64/50/1174666450.db2.gz AJJBHSYKFNKICL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001689805383 1174666454 /nfs/dbraw/zinc/66/64/54/1174666454.db2.gz AJJBHSYKFNKICL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1CCC ZINC001689805383 1174666456 /nfs/dbraw/zinc/66/64/56/1174666456.db2.gz AJJBHSYKFNKICL-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](CNC(=O)CCc2cnc[nH]2)C1 ZINC001688933791 1175072203 /nfs/dbraw/zinc/07/22/03/1175072203.db2.gz XGBIVOGBAJLWAX-AULYBMBSSA-N 2 1 262.357 1.013 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H]1CC ZINC001689198212 1175114767 /nfs/dbraw/zinc/11/47/67/1175114767.db2.gz UITKFMRZGNDWAH-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]1CC ZINC001689198212 1175114771 /nfs/dbraw/zinc/11/47/71/1175114771.db2.gz UITKFMRZGNDWAH-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001698654804 1175888340 /nfs/dbraw/zinc/88/83/40/1175888340.db2.gz XHZZEVHVHGLCLT-XJKSGUPXSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C[C@H]1C ZINC001698894996 1175980553 /nfs/dbraw/zinc/98/05/53/1175980553.db2.gz XGOVTOMBAPSVIK-UKRRQHHQSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001698988582 1176019056 /nfs/dbraw/zinc/01/90/56/1176019056.db2.gz HRPLQZGJZDZZMW-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698988582 1176019065 /nfs/dbraw/zinc/01/90/65/1176019065.db2.gz HRPLQZGJZDZZMW-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCC[NH+](C)CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001698988582 1176019075 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1.731 10 30 CDEEMP C=C(C)CC[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001700484217 1176974758 /nfs/dbraw/zinc/97/47/58/1176974758.db2.gz YMCYXWBBFXGRIY-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001707082004 1177944480 /nfs/dbraw/zinc/94/44/80/1177944480.db2.gz HWZDJRNHFPJJFV-KLHDSHLOSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001712954882 1178263948 /nfs/dbraw/zinc/26/39/48/1178263948.db2.gz UWAVYJTVJNXVGF-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001712954882 1178263955 /nfs/dbraw/zinc/26/39/55/1178263955.db2.gz UWAVYJTVJNXVGF-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001712954882 1178263965 /nfs/dbraw/zinc/26/39/65/1178263965.db2.gz UWAVYJTVJNXVGF-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713292462 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CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733049570 1183263627 /nfs/dbraw/zinc/26/36/27/1183263627.db2.gz SDPAFDRPWYSYRQ-AWEZNQCLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001733083651 1183282288 /nfs/dbraw/zinc/28/22/88/1183282288.db2.gz NLIKLRFHBKQTLX-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001734576084 1183831133 /nfs/dbraw/zinc/83/11/33/1183831133.db2.gz LHPSNVROVMRHSB-QWHCGFSZSA-N 2 1 267.417 1.245 10 30 CDEEMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC2(C#N)CCC2)C1 ZINC000842038051 804988657 /nfs/dbraw/zinc/98/86/57/804988657.db2.gz CZIXCBGTJCBHSY-LBPRGKRZSA-N 2 1 280.372 1.288 10 30 CDEEMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC2(C#N)CCC2)C1 ZINC000842038051 804988692 /nfs/dbraw/zinc/98/86/92/804988692.db2.gz CZIXCBGTJCBHSY-LBPRGKRZSA-N 2 1 280.372 1.288 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@H](C1CC1)C1CCOCC1 ZINC000926488927 812078894 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C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000819023284 814051109 /nfs/dbraw/zinc/05/11/09/814051109.db2.gz CXZAHRXAFKRROJ-INIZCTEOSA-N 2 1 293.386 1.884 10 30 CDEEMP C[NH+]=C(NCC1(O)CCCC1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000261973914 814209657 /nfs/dbraw/zinc/20/96/57/814209657.db2.gz NHIYDCVCSIIIID-UONOGXRCSA-N 2 1 296.459 1.185 10 30 CDEEMP C#CCOCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000879209623 817519484 /nfs/dbraw/zinc/51/94/84/817519484.db2.gz MMYWWWNQBZIEQP-UHFFFAOYSA-N 2 1 264.413 1.977 10 30 CDEEMP C#CCOc1ccc(C[NH2+]C[C@@H](CN(C)C)OCC)cc1 ZINC000922755955 817872295 /nfs/dbraw/zinc/87/22/95/817872295.db2.gz CWZIKUPWPCCREQ-KRWDZBQOSA-N 2 1 290.407 1.755 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001566557127 1168334628 /nfs/dbraw/zinc/33/46/28/1168334628.db2.gz YENNJQNLINWVOT-UHFFFAOYSA-N 2 1 291.439 1.466 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001567253040 1168641436 /nfs/dbraw/zinc/64/14/36/1168641436.db2.gz BIHRXMBRSSNYRE-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282469015 894441444 /nfs/dbraw/zinc/44/14/44/894441444.db2.gz OMTBBHXWUWXNIF-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001282469015 894441450 /nfs/dbraw/zinc/44/14/50/894441450.db2.gz OMTBBHXWUWXNIF-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C=CCCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001266390537 894662857 /nfs/dbraw/zinc/66/28/57/894662857.db2.gz BJOMBIRDPUWTON-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001266390537 894662863 /nfs/dbraw/zinc/66/28/63/894662863.db2.gz BJOMBIRDPUWTON-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001266390537 894662867 /nfs/dbraw/zinc/66/28/67/894662867.db2.gz BJOMBIRDPUWTON-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@H+](CC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266420060 894785507 /nfs/dbraw/zinc/78/55/07/894785507.db2.gz DUOPLHCYIVBAMH-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001266420060 894785517 /nfs/dbraw/zinc/78/55/17/894785517.db2.gz DUOPLHCYIVBAMH-UHFFFAOYSA-N 2 1 290.411 1.468 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCCN1C(=O)CC[N@H+](C)CCC ZINC001266880812 896267132 /nfs/dbraw/zinc/26/71/32/896267132.db2.gz OTNJNGUHFKCCHF-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001267044418 896627422 /nfs/dbraw/zinc/62/74/22/896627422.db2.gz RBEWTEDIJGEOOK-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267053167 896642991 /nfs/dbraw/zinc/64/29/91/896642991.db2.gz LBLUUCGUCBJGKZ-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001267070347 896686068 /nfs/dbraw/zinc/68/60/68/896686068.db2.gz LJTLTORQCRQSMT-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267224903 897214682 /nfs/dbraw/zinc/21/46/82/897214682.db2.gz MUORYEUMDHMGDP-UHFFFAOYSA-N 2 1 299.378 1.505 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001267224903 897214698 /nfs/dbraw/zinc/21/46/98/897214698.db2.gz MUORYEUMDHMGDP-UHFFFAOYSA-N 2 1 299.378 1.505 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267307061 897548833 /nfs/dbraw/zinc/54/88/33/897548833.db2.gz ZZQCYTMOGCYROO-HNNXBMFYSA-N 2 1 279.428 1.342 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001267402735 897857667 /nfs/dbraw/zinc/85/76/67/897857667.db2.gz LGHJQPKTBJYCCK-UHFFFAOYSA-N 2 1 264.373 1.206 10 30 CDEEMP CC#CC[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001272624186 914205084 /nfs/dbraw/zinc/20/50/84/914205084.db2.gz IISLJPGVXZKBOY-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CCCC[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001480951390 898114096 /nfs/dbraw/zinc/11/40/96/898114096.db2.gz ZQOAODQFLROREJ-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001480951390 898114105 /nfs/dbraw/zinc/11/41/05/898114105.db2.gz ZQOAODQFLROREJ-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001480951390 898114108 /nfs/dbraw/zinc/11/41/08/898114108.db2.gz ZQOAODQFLROREJ-GASCZTMLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CCC)C1 ZINC001267548253 898325740 /nfs/dbraw/zinc/32/57/40/898325740.db2.gz BNYCGPPFHWFTQO-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@H+](C)CCC)C1 ZINC001267548253 898325755 /nfs/dbraw/zinc/32/57/55/898325755.db2.gz BNYCGPPFHWFTQO-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@@H+](C)CCC)C1 ZINC001267548253 898325770 /nfs/dbraw/zinc/32/57/70/898325770.db2.gz BNYCGPPFHWFTQO-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267553064 898338612 /nfs/dbraw/zinc/33/86/12/898338612.db2.gz YKQCRYVAPNYYMJ-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001267553064 898338626 /nfs/dbraw/zinc/33/86/26/898338626.db2.gz YKQCRYVAPNYYMJ-OAHLLOKOSA-N 2 1 288.395 1.043 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001481114469 898890183 /nfs/dbraw/zinc/89/01/83/898890183.db2.gz MYPWRBXCBRKEDG-HNNXBMFYSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267653782 899176198 /nfs/dbraw/zinc/17/61/98/899176198.db2.gz YSPRPOBKVLUHCP-GJZGRUSLSA-N 2 1 297.418 1.080 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267687537 899282545 /nfs/dbraw/zinc/28/25/45/899282545.db2.gz HGYWYLLQWLYMOX-UKRRQHHQSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267753746 899595059 /nfs/dbraw/zinc/59/50/59/899595059.db2.gz DLVZPBSFPBNJGR-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267753746 899595065 /nfs/dbraw/zinc/59/50/65/899595065.db2.gz DLVZPBSFPBNJGR-CVEARBPZSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001267790993 899735834 /nfs/dbraw/zinc/73/58/34/899735834.db2.gz ULBNITPGMSYELT-OAHLLOKOSA-N 2 1 279.428 1.581 10 30 CDEEMP C#CC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001267815638 899799960 /nfs/dbraw/zinc/79/99/60/899799960.db2.gz QBCOGLDBTAWGEA-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001567693857 1168920037 /nfs/dbraw/zinc/92/00/37/1168920037.db2.gz ZSDNOJYAAFNBOL-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001567693857 1168920046 /nfs/dbraw/zinc/92/00/46/1168920046.db2.gz ZSDNOJYAAFNBOL-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567693857 1168920049 /nfs/dbraw/zinc/92/00/49/1168920049.db2.gz ZSDNOJYAAFNBOL-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267936856 900010112 /nfs/dbraw/zinc/01/01/12/900010112.db2.gz COTZCTYIRWRAIG-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001268211981 901581513 /nfs/dbraw/zinc/58/15/13/901581513.db2.gz JQTMRXAFIJQMMQ-CABCVRRESA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCCC[N@@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268250749 901672725 /nfs/dbraw/zinc/67/27/25/901672725.db2.gz HCSMOUCDMORLIZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268250749 901672729 /nfs/dbraw/zinc/67/27/29/901672729.db2.gz HCSMOUCDMORLIZ-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)CC[N@H+](C)CC ZINC001268253533 901674468 /nfs/dbraw/zinc/67/44/68/901674468.db2.gz ADBVRCZPUKTDFT-UHFFFAOYSA-N 2 1 255.406 1.295 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)CC[NH+](C)CC ZINC001268253533 901674473 /nfs/dbraw/zinc/67/44/73/901674473.db2.gz ADBVRCZPUKTDFT-UHFFFAOYSA-N 2 1 255.406 1.295 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)CC[NH+](C)CC ZINC001268253533 901674482 /nfs/dbraw/zinc/67/44/82/901674482.db2.gz ADBVRCZPUKTDFT-UHFFFAOYSA-N 2 1 255.406 1.295 10 30 CDEEMP C=C(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268582077 902665056 /nfs/dbraw/zinc/66/50/56/902665056.db2.gz MNSDKSDQWWCZPA-DKLOGILVSA-N 2 1 293.455 1.945 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001269235585 903596407 /nfs/dbraw/zinc/59/64/07/903596407.db2.gz MIVSBFZFSHOHIG-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001269235585 903596423 /nfs/dbraw/zinc/59/64/23/903596423.db2.gz MIVSBFZFSHOHIG-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001269235585 903596427 /nfs/dbraw/zinc/59/64/27/903596427.db2.gz MIVSBFZFSHOHIG-HRCADAONSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001269293724 903668044 /nfs/dbraw/zinc/66/80/44/903668044.db2.gz ZNUXPVMUZQRXQR-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001269293724 903668050 /nfs/dbraw/zinc/66/80/50/903668050.db2.gz ZNUXPVMUZQRXQR-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001269293724 903668057 /nfs/dbraw/zinc/66/80/57/903668057.db2.gz ZNUXPVMUZQRXQR-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001269349526 903723408 /nfs/dbraw/zinc/72/34/08/903723408.db2.gz CUCHRFRHIFZRDO-CQSZACIVSA-N 2 1 265.401 1.239 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001269349526 903723412 /nfs/dbraw/zinc/72/34/12/903723412.db2.gz CUCHRFRHIFZRDO-CQSZACIVSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CCCC1 ZINC001269572231 903941177 /nfs/dbraw/zinc/94/11/77/903941177.db2.gz LUQLVRZXTGOQMZ-GJZGRUSLSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001270420258 904623383 /nfs/dbraw/zinc/62/33/83/904623383.db2.gz RHLWENAHNNRCFA-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001270600377 904777182 /nfs/dbraw/zinc/77/71/82/904777182.db2.gz ZDQSYFKUQPJFSG-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001270600377 904777186 /nfs/dbraw/zinc/77/71/86/904777186.db2.gz ZDQSYFKUQPJFSG-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001270600377 904777193 /nfs/dbraw/zinc/77/71/93/904777193.db2.gz ZDQSYFKUQPJFSG-NVXWUHKLSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482323926 905013375 /nfs/dbraw/zinc/01/33/75/905013375.db2.gz NUONOBLBIHXYCL-MJBXVCDLSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(C)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001270840368 905126125 /nfs/dbraw/zinc/12/61/25/905126125.db2.gz NNAUYXRKEZTPET-GOEBONIOSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CC[NH+]1CCC(C)(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001270886232 905330098 /nfs/dbraw/zinc/33/00/98/905330098.db2.gz UCUMSPALRHAITK-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001271565237 906520794 /nfs/dbraw/zinc/52/07/94/906520794.db2.gz BMLFBLALMPIEJU-HZPDHXFCSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001271577158 906524539 /nfs/dbraw/zinc/52/45/39/906524539.db2.gz RIFNTHOWZNZFOF-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483266053 910759781 /nfs/dbraw/zinc/75/97/81/910759781.db2.gz CKMHKEDRKGXDFK-ZDUSSCGKSA-N 2 1 269.433 1.635 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001483352109 910956237 /nfs/dbraw/zinc/95/62/37/910956237.db2.gz WNZXBTHLLIBJPU-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001483352109 910956252 /nfs/dbraw/zinc/95/62/52/910956252.db2.gz WNZXBTHLLIBJPU-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001483352109 910956269 /nfs/dbraw/zinc/95/62/69/910956269.db2.gz WNZXBTHLLIBJPU-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001483383737 911028144 /nfs/dbraw/zinc/02/81/44/911028144.db2.gz JGUBBPQXQTVSQX-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001507426111 911112808 /nfs/dbraw/zinc/11/28/08/911112808.db2.gz FVYAIQMEIXXQPA-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H](C)F ZINC001483471882 911161006 /nfs/dbraw/zinc/16/10/06/911161006.db2.gz NCWCSDTZMMTCQL-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC[C@@H](C)F ZINC001483471882 911161009 /nfs/dbraw/zinc/16/10/09/911161009.db2.gz NCWCSDTZMMTCQL-CABCVRRESA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483782412 915079977 /nfs/dbraw/zinc/07/99/77/915079977.db2.gz BXBKIJJYRAMXPY-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@H](C)C1 ZINC001483914722 915187905 /nfs/dbraw/zinc/18/79/05/915187905.db2.gz ARODHTMVTKVPAQ-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CCCC1 ZINC001484002491 915283256 /nfs/dbraw/zinc/28/32/56/915283256.db2.gz VQIOUKHJDMBPCG-BMFZPTHFSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=C)C ZINC001484993764 916380437 /nfs/dbraw/zinc/38/04/37/916380437.db2.gz GJPZYPPOXJRWKX-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=C)C ZINC001484993764 916380457 /nfs/dbraw/zinc/38/04/57/916380457.db2.gz GJPZYPPOXJRWKX-GJZGRUSLSA-N 2 1 277.412 1.145 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485075201 916472776 /nfs/dbraw/zinc/47/27/76/916472776.db2.gz BEGMZXQQIPMKBT-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485075201 916472783 /nfs/dbraw/zinc/47/27/83/916472783.db2.gz BEGMZXQQIPMKBT-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485075201 916472785 /nfs/dbraw/zinc/47/27/85/916472785.db2.gz BEGMZXQQIPMKBT-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001485195132 916657385 /nfs/dbraw/zinc/65/73/85/916657385.db2.gz RZVNPOPYRSFFRK-UONOGXRCSA-N 2 1 281.444 1.470 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001486129915 920734255 /nfs/dbraw/zinc/73/42/55/920734255.db2.gz RYVNYSUNXQEDNT-ZFWWWQNUSA-N 2 1 290.411 1.737 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001491069280 936850582 /nfs/dbraw/zinc/85/05/82/936850582.db2.gz HDGVQJQLLMFJQT-SOUVJXGZSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001491232226 936881740 /nfs/dbraw/zinc/88/17/40/936881740.db2.gz WQILHRHIMIAETA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001491232226 936881743 /nfs/dbraw/zinc/88/17/43/936881743.db2.gz WQILHRHIMIAETA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001491232226 936881744 /nfs/dbraw/zinc/88/17/44/936881744.db2.gz WQILHRHIMIAETA-OAHLLOKOSA-N 2 1 279.428 1.322 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488662850 926654516 /nfs/dbraw/zinc/65/45/16/926654516.db2.gz MHMVEPPTPFEBJD-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488662850 926654508 /nfs/dbraw/zinc/65/45/08/926654508.db2.gz MHMVEPPTPFEBJD-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488662850 926654522 /nfs/dbraw/zinc/65/45/22/926654522.db2.gz MHMVEPPTPFEBJD-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488662850 926654540 /nfs/dbraw/zinc/65/45/40/926654540.db2.gz MHMVEPPTPFEBJD-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)C)CC[C@H]21 ZINC001568516140 1169342145 /nfs/dbraw/zinc/34/21/45/1169342145.db2.gz UCBODFGRVDBQLA-LSDHHAIUSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001274297881 931489019 /nfs/dbraw/zinc/48/90/19/931489019.db2.gz KQPSQDSBBXYHIN-NFAHFFEMSA-N 2 1 279.428 1.556 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)C(C)C ZINC001319917175 931490974 /nfs/dbraw/zinc/49/09/74/931490974.db2.gz KJBQQQKUNXCXLZ-GJZGRUSLSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001274631823 931526577 /nfs/dbraw/zinc/52/65/77/931526577.db2.gz MLNJNURDEWUXNQ-FPLPWBNLSA-N 2 1 285.391 1.014 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001274654886 931532398 /nfs/dbraw/zinc/53/23/98/931532398.db2.gz POOUWOSFZFTBKC-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001277059958 941892371 /nfs/dbraw/zinc/89/23/71/941892371.db2.gz CCTAEECTIICJSQ-LSDHHAIUSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001277385505 942467432 /nfs/dbraw/zinc/46/74/32/942467432.db2.gz PUFWWPHIQKAJQV-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001277385505 942467433 /nfs/dbraw/zinc/46/74/33/942467433.db2.gz PUFWWPHIQKAJQV-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001277385505 942467436 /nfs/dbraw/zinc/46/74/36/942467436.db2.gz PUFWWPHIQKAJQV-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001281682107 942609111 /nfs/dbraw/zinc/60/91/11/942609111.db2.gz HGMUHGXALVDWRA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001281682107 942609113 /nfs/dbraw/zinc/60/91/13/942609113.db2.gz HGMUHGXALVDWRA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]1C ZINC001281682107 942609117 /nfs/dbraw/zinc/60/91/17/942609117.db2.gz HGMUHGXALVDWRA-CABCVRRESA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001283556433 942931707 /nfs/dbraw/zinc/93/17/07/942931707.db2.gz LWRYHDLSKZHSFO-LSDHHAIUSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001283611337 942946517 /nfs/dbraw/zinc/94/65/17/942946517.db2.gz AECOZKFVUPEMAG-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC001284321996 943146645 /nfs/dbraw/zinc/14/66/45/943146645.db2.gz FCSKLHSEJLRLAW-LSDHHAIUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=C[C@@H](CC)CC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC001263192362 943782067 /nfs/dbraw/zinc/78/20/67/943782067.db2.gz XDDNEGPLCACUFY-LBPRGKRZSA-N 2 1 253.390 1.128 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264399460 944126718 /nfs/dbraw/zinc/12/67/18/944126718.db2.gz BESNLSWWXKCWRE-XHSDSOJGSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264432433 944135205 /nfs/dbraw/zinc/13/52/05/944135205.db2.gz VYFSFPUKKCNYKA-JYJNAYRXSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001265113460 944235990 /nfs/dbraw/zinc/23/59/90/944235990.db2.gz OCVQZYSUHCCWCH-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001265113460 944235994 /nfs/dbraw/zinc/23/59/94/944235994.db2.gz OCVQZYSUHCCWCH-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001265113460 944236003 /nfs/dbraw/zinc/23/60/03/944236003.db2.gz OCVQZYSUHCCWCH-OAHLLOKOSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CCC)C1CC1 ZINC001265359171 944359388 /nfs/dbraw/zinc/35/93/88/944359388.db2.gz YSFBZQDVFFYVCH-LSDHHAIUSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001265390395 944371435 /nfs/dbraw/zinc/37/14/35/944371435.db2.gz DQEIOIWXBWVAFG-LSDHHAIUSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265636657 944451796 /nfs/dbraw/zinc/45/17/96/944451796.db2.gz MMGCRUDMRGCTLD-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265895016 944561807 /nfs/dbraw/zinc/56/18/07/944561807.db2.gz BWVJSBJNRILWSC-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001266218767 944765537 /nfs/dbraw/zinc/76/55/37/944765537.db2.gz BAPMENMMKNNDFS-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)Cn1c[nH+]cc1C ZINC001479568877 971341372 /nfs/dbraw/zinc/34/13/72/971341372.db2.gz BQTBJYZCWRJCLT-HIFRSBDPSA-N 2 1 288.395 1.041 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001480006967 971534025 /nfs/dbraw/zinc/53/40/25/971534025.db2.gz CVGZZQXIFUITNN-GJZGRUSLSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001480465229 971743000 /nfs/dbraw/zinc/74/30/00/971743000.db2.gz YGPQGXCGYUXEPX-KGLIPLIRSA-N 2 1 290.411 1.514 10 30 CDEEMP CC#CC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CCC)CC1(C)C ZINC001278685015 951686439 /nfs/dbraw/zinc/68/64/39/951686439.db2.gz QDENRPRVPLQORE-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001480600232 971802037 /nfs/dbraw/zinc/80/20/37/971802037.db2.gz UWFNNRJCSOVCTM-DZGCQCFKSA-N 2 1 275.396 1.570 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480720514 971848694 /nfs/dbraw/zinc/84/86/94/971848694.db2.gz COMGVXJXXUEFTJ-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480720514 971848701 /nfs/dbraw/zinc/84/87/01/971848701.db2.gz COMGVXJXXUEFTJ-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480720514 971848705 /nfs/dbraw/zinc/84/87/05/971848705.db2.gz COMGVXJXXUEFTJ-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)CC[N@H+](C)CC)CCOCC1 ZINC001325025190 953688052 /nfs/dbraw/zinc/68/80/52/953688052.db2.gz FKFGXNCIXQUVMN-UHFFFAOYSA-N 2 1 297.443 1.159 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001493162487 971964610 /nfs/dbraw/zinc/96/46/10/971964610.db2.gz ZEYZHVUBQKHKDX-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001493162487 971964613 /nfs/dbraw/zinc/96/46/13/971964613.db2.gz ZEYZHVUBQKHKDX-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)[C@@]23CC[N@@H+](C2)CCC3)CCC1 ZINC001326924774 954622369 /nfs/dbraw/zinc/62/23/69/954622369.db2.gz MCLDESWLEODDFW-INIZCTEOSA-N 2 1 291.439 1.677 10 30 CDEEMP C=CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCC1 ZINC001326928853 954622832 /nfs/dbraw/zinc/62/28/32/954622832.db2.gz QMISHNSVEFNXFB-AWEZNQCLSA-N 2 1 279.428 1.533 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001328051044 955174016 /nfs/dbraw/zinc/17/40/16/955174016.db2.gz QOWOJQLSAYBTFP-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001328281650 955249909 /nfs/dbraw/zinc/24/99/09/955249909.db2.gz DONPZPIAYJZOPC-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCN(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001491841023 955462851 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CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001316739207 956296030 /nfs/dbraw/zinc/29/60/30/956296030.db2.gz NSNKLXQADGMSBP-ZNMIVQPWSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001494181131 972194658 /nfs/dbraw/zinc/19/46/58/972194658.db2.gz QEIUWYGZUCSJPH-GJZGRUSLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494181131 972194662 /nfs/dbraw/zinc/19/46/62/972194662.db2.gz QEIUWYGZUCSJPH-GJZGRUSLSA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494181131 972194667 /nfs/dbraw/zinc/19/46/67/972194667.db2.gz QEIUWYGZUCSJPH-GJZGRUSLSA-N 2 1 279.428 1.295 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001331212186 956890244 /nfs/dbraw/zinc/89/02/44/956890244.db2.gz RXOXBNPOFJCJHA-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001316870083 957080144 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C=CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C1CC1 ZINC001569304897 1169755068 /nfs/dbraw/zinc/75/50/68/1169755068.db2.gz UYSTVVKDUAUPPM-ARFHVFGLSA-N 2 1 293.455 1.777 10 30 CDEEMP C#CCC[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001320737312 959360421 /nfs/dbraw/zinc/36/04/21/959360421.db2.gz LMYGNYLTLVWAPG-LSDHHAIUSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001322516110 960248438 /nfs/dbraw/zinc/24/84/38/960248438.db2.gz AVGKWFDIHJOFDG-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)CC[N@@H+](C)CC)C[C@@H]1CC ZINC001323165423 960490907 /nfs/dbraw/zinc/49/09/07/960490907.db2.gz ZPDPELUHCNVKOB-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001569382973 1169833244 /nfs/dbraw/zinc/83/32/44/1169833244.db2.gz IGACQGLLAHJMPZ-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC001540797937 967173523 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CDEEMP C=CCCC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500249323 974408625 /nfs/dbraw/zinc/40/86/25/974408625.db2.gz ROVBVTIFCSXYBB-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500249323 974408627 /nfs/dbraw/zinc/40/86/27/974408627.db2.gz ROVBVTIFCSXYBB-GDBMZVCRSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503679229 974827321 /nfs/dbraw/zinc/82/73/21/974827321.db2.gz WXVPXOMSNOFJJF-QGZVFWFLSA-N 2 1 299.418 1.287 10 30 CDEEMP C#CC[N@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)C ZINC001503679229 974827326 /nfs/dbraw/zinc/82/73/26/974827326.db2.gz WXVPXOMSNOFJJF-QGZVFWFLSA-N 2 1 299.418 1.287 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CCC ZINC001505410622 974864250 /nfs/dbraw/zinc/86/42/50/974864250.db2.gz IORBSYUFVIHYMR-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001505497676 974895920 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CC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C[C@H]1C ZINC001674157005 1173920483 /nfs/dbraw/zinc/92/04/83/1173920483.db2.gz YQEFRQYHJLXYAF-HUUCEWRRSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001570563801 1170191052 /nfs/dbraw/zinc/19/10/52/1170191052.db2.gz DQNCWPJMXLNIQQ-UHFFFAOYSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001570753350 1170270886 /nfs/dbraw/zinc/27/08/86/1170270886.db2.gz HQUZMKFUJWMFPG-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001570753350 1170270894 /nfs/dbraw/zinc/27/08/94/1170270894.db2.gz HQUZMKFUJWMFPG-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001570753350 1170270899 /nfs/dbraw/zinc/27/08/99/1170270899.db2.gz HQUZMKFUJWMFPG-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109893 1171769583 /nfs/dbraw/zinc/76/95/83/1171769583.db2.gz UCCFYENYCFDIHL-CQSZACIVSA-N 2 1 265.401 1.191 10 30 CDEEMP C[N@H+]1CC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]2CCC[C@@H]21 ZINC000586789961 342469127 /nfs/dbraw/zinc/46/91/27/342469127.db2.gz VBQGLNXOPZSLQC-JYJNAYRXSA-N 2 1 276.428 1.437 10 30 CDEEMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594437769 342906115 /nfs/dbraw/zinc/90/61/15/342906115.db2.gz PFICNWILOPWIGX-RBSFLKMASA-N 2 1 292.427 1.340 10 30 CDEEMP N#Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000600768888 349878687 /nfs/dbraw/zinc/87/86/87/349878687.db2.gz HOSVVIAPLNOAJY-WOSRLPQWSA-N 2 1 289.379 1.870 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001661034556 1172326392 /nfs/dbraw/zinc/32/63/92/1172326392.db2.gz IKQFEPNLPPYWMK-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001661034556 1172326398 /nfs/dbraw/zinc/32/63/98/1172326398.db2.gz IKQFEPNLPPYWMK-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001661034556 1172326405 /nfs/dbraw/zinc/32/64/05/1172326405.db2.gz IKQFEPNLPPYWMK-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[C@@H](O)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000305067426 370839305 /nfs/dbraw/zinc/83/93/05/370839305.db2.gz IFYXMUMBLUOFFI-DLBZAZTESA-N 2 1 295.471 1.415 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344219679 379327500 /nfs/dbraw/zinc/32/75/00/379327500.db2.gz MYFUJRYOUCDDGF-UKRRQHHQSA-N 2 1 251.418 1.567 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000344219679 379327507 /nfs/dbraw/zinc/32/75/07/379327507.db2.gz MYFUJRYOUCDDGF-UKRRQHHQSA-N 2 1 251.418 1.567 10 30 CDEEMP C=CC[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001662872798 1172605194 /nfs/dbraw/zinc/60/51/94/1172605194.db2.gz SUYPRGUOROJFHH-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CCC)C1 ZINC001662872798 1172605199 /nfs/dbraw/zinc/60/51/99/1172605199.db2.gz SUYPRGUOROJFHH-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001662974562 1172622642 /nfs/dbraw/zinc/62/26/42/1172622642.db2.gz KZFMGWVYYCVJBL-AWEZNQCLSA-N 2 1 281.444 1.472 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663119532 1172637722 /nfs/dbraw/zinc/63/77/22/1172637722.db2.gz KECFVGNNPHJUQV-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663119532 1172637725 /nfs/dbraw/zinc/63/77/25/1172637725.db2.gz KECFVGNNPHJUQV-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CCC(C)C ZINC001663389126 1172686153 /nfs/dbraw/zinc/68/61/53/1172686153.db2.gz MUQMSBVYYXDVGW-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CCC(C)C ZINC001663389126 1172686158 /nfs/dbraw/zinc/68/61/58/1172686158.db2.gz MUQMSBVYYXDVGW-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC(C)C ZINC001663389126 1172686160 /nfs/dbraw/zinc/68/61/60/1172686160.db2.gz MUQMSBVYYXDVGW-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CCC(C)C ZINC001663389126 1172686167 /nfs/dbraw/zinc/68/61/67/1172686167.db2.gz MUQMSBVYYXDVGW-INIZCTEOSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001663431056 1172694689 /nfs/dbraw/zinc/69/46/89/1172694689.db2.gz NLYNIAHUUAWMHS-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001663431056 1172694696 /nfs/dbraw/zinc/69/46/96/1172694696.db2.gz NLYNIAHUUAWMHS-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CC)CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001663431056 1172694698 /nfs/dbraw/zinc/69/46/98/1172694698.db2.gz NLYNIAHUUAWMHS-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001663461622 1172697955 /nfs/dbraw/zinc/69/79/55/1172697955.db2.gz NYRJGFGSKILFPH-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[NH+](CC(C)C)CC2)CCC[NH2+]1 ZINC000662666778 413277422 /nfs/dbraw/zinc/27/74/22/413277422.db2.gz VJUGNGSQPHNHJL-MRXNPFEDSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[NH+](C(C)C)CC2)CCC[NH2+]1 ZINC000662672439 413289154 /nfs/dbraw/zinc/28/91/54/413289154.db2.gz ASZRZXLCRWYIOV-OAHLLOKOSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH+]1CC(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001665301417 1172978189 /nfs/dbraw/zinc/97/81/89/1172978189.db2.gz YBLGDXGSYXDGBA-HNNXBMFYSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001665676835 1173035037 /nfs/dbraw/zinc/03/50/37/1173035037.db2.gz OJIWWQFJZDAGLP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001665676835 1173035042 /nfs/dbraw/zinc/03/50/42/1173035042.db2.gz OJIWWQFJZDAGLP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001665676835 1173035050 /nfs/dbraw/zinc/03/50/50/1173035050.db2.gz OJIWWQFJZDAGLP-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001665787788 1173061425 /nfs/dbraw/zinc/06/14/25/1173061425.db2.gz JSZJYRSUZIZXEE-CABCVRRESA-N 2 1 281.444 1.920 10 30 CDEEMP CC1(C)C[N@H+](Cc2sccc2C#CC[NH3+])CCO1 ZINC000043683753 175091711 /nfs/dbraw/zinc/09/17/11/175091711.db2.gz FHUQGRLEESLTAR-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP CC1(C)C[N@@H+](Cc2sccc2C#CC[NH3+])CCO1 ZINC000043683753 175091712 /nfs/dbraw/zinc/09/17/12/175091712.db2.gz FHUQGRLEESLTAR-UHFFFAOYSA-N 2 1 264.394 1.669 10 30 CDEEMP CC[N@@H+](Cc1ccc(C#CC[NH3+])s1)[C@H](C)COC ZINC000043684256 175092838 /nfs/dbraw/zinc/09/28/38/175092838.db2.gz KNYKWDVOXMEKNU-GFCCVEGCSA-N 2 1 266.410 1.915 10 30 CDEEMP CCN1CCC([N@H+](C)Cc2sccc2C#CC[NH3+])CC1 ZINC000043684240 175093216 /nfs/dbraw/zinc/09/32/16/175093216.db2.gz XAUMICCOVFUDKY-UHFFFAOYSA-N 2 1 291.464 1.974 10 30 CDEEMP CCN1CCC([N@@H+](C)Cc2sccc2C#CC[NH3+])CC1 ZINC000043684240 175093217 /nfs/dbraw/zinc/09/32/17/175093217.db2.gz XAUMICCOVFUDKY-UHFFFAOYSA-N 2 1 291.464 1.974 10 30 CDEEMP C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689075 175095813 /nfs/dbraw/zinc/09/58/13/175095813.db2.gz UNZHJZPKDCALFK-YPMHNXCESA-N 2 1 291.420 1.144 10 30 CDEEMP C=CCC[NH+]1CC2(C1)CCN(C(=O)CC[N@H+](C)CC)CC2 ZINC001666834829 1173189423 /nfs/dbraw/zinc/18/94/23/1173189423.db2.gz QAQCYEACADBRDM-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC(C)C ZINC001666928133 1173209090 /nfs/dbraw/zinc/20/90/90/1173209090.db2.gz XIEHKYFNLIINQV-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC(C)C ZINC001666928133 1173209095 /nfs/dbraw/zinc/20/90/95/1173209095.db2.gz XIEHKYFNLIINQV-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662291936 423917850 /nfs/dbraw/zinc/91/78/50/423917850.db2.gz ATGPHWHNLGPFKI-HZPDHXFCSA-N 2 1 291.439 1.485 10 30 CDEEMP C[C@@H]1CCOCC[N@@H+]1CC#CCN1CCOCC[C@@H]1C ZINC000367457040 266290842 /nfs/dbraw/zinc/29/08/42/266290842.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP C[C@@H]1CCOCCN1CC#CC[N@@H+]1CCOCC[C@@H]1C ZINC000367457040 266290845 /nfs/dbraw/zinc/29/08/45/266290845.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP C[C@@H]1CCOCCN1CC#CC[N@H+]1CCOCC[C@@H]1C ZINC000367457040 266290849 /nfs/dbraw/zinc/29/08/49/266290849.db2.gz DVSNIXWSNDNBAF-IYBDPMFKSA-N 2 1 280.412 1.211 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669812303 1173613141 /nfs/dbraw/zinc/61/31/41/1173613141.db2.gz XSRCFAHLVVTABZ-UKRRQHHQSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001690785697 1175571846 /nfs/dbraw/zinc/57/18/46/1175571846.db2.gz XMNKGRHLOZDKDX-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C[C@@H]1CN(C(=[NH2+])NCC[N@H+]2CCCC(C)(C)C2)CCO1 ZINC000262457767 330014529 /nfs/dbraw/zinc/01/45/29/330014529.db2.gz LOQKCSNLMSRMMK-CYBMUJFWSA-N 2 1 282.432 1.144 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001691441694 1159221123 /nfs/dbraw/zinc/22/11/23/1159221123.db2.gz UGWHNWNQAZXVPD-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001698831833 1175954607 /nfs/dbraw/zinc/95/46/07/1175954607.db2.gz IKLAXPAXUYTPDK-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001699440886 1159643197 /nfs/dbraw/zinc/64/31/97/1159643197.db2.gz HSOFFROPCRWHFY-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699440886 1159643198 /nfs/dbraw/zinc/64/31/98/1159643198.db2.gz HSOFFROPCRWHFY-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001699440886 1159643201 /nfs/dbraw/zinc/64/32/01/1159643201.db2.gz HSOFFROPCRWHFY-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001268016152 1159649127 /nfs/dbraw/zinc/64/91/27/1159649127.db2.gz ZRTXNXVDLXFRJJ-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743392 1160011002 /nfs/dbraw/zinc/01/10/02/1160011002.db2.gz RCFKPCJVXPXNCF-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268743392 1160011007 /nfs/dbraw/zinc/01/10/07/1160011007.db2.gz RCFKPCJVXPXNCF-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268743392 1160011013 /nfs/dbraw/zinc/01/10/13/1160011013.db2.gz RCFKPCJVXPXNCF-KKUMJFAQSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001670940983 1161393660 /nfs/dbraw/zinc/39/36/60/1161393660.db2.gz YWGGVQREDVZKCX-MQVJKMGUSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661666 1161442083 /nfs/dbraw/zinc/44/20/83/1161442083.db2.gz WNAANUPJCQOMLQ-LSDHHAIUSA-N 2 1 279.428 1.273 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](CC)[NH+](CC)CC ZINC001691661666 1161442085 /nfs/dbraw/zinc/44/20/85/1161442085.db2.gz WNAANUPJCQOMLQ-LSDHHAIUSA-N 2 1 279.428 1.273 10 30 CDEEMP COC[C@@H](C)[N@@H+](C)Cc1ccc(OC)c(C#CC[NH3+])c1 ZINC000049609577 522218090 /nfs/dbraw/zinc/21/80/90/522218090.db2.gz GSEYIMPFCLBRNB-CYBMUJFWSA-N 2 1 276.380 1.472 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001725597238 1182069066 /nfs/dbraw/zinc/06/90/66/1182069066.db2.gz RYDQYOYPKNAUPE-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP CC1(C)C[N@H+](Cc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049609327 520477628 /nfs/dbraw/zinc/47/76/28/520477628.db2.gz CUUNXLUITLHFDD-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP CC1(C)C[N@@H+](Cc2ccc(C#CC[NH3+])cc2)CCO1 ZINC000049609327 520477632 /nfs/dbraw/zinc/47/76/32/520477632.db2.gz CUUNXLUITLHFDD-UHFFFAOYSA-N 2 1 258.365 1.608 10 30 CDEEMP C[N@@H+](Cc1ccc(F)c(C#CC[NH3+])c1)C1CCOCC1 ZINC000049609344 523240491 /nfs/dbraw/zinc/24/04/91/523240491.db2.gz FSIYXHPKDKTTPT-UHFFFAOYSA-N 2 1 276.355 1.747 10 30 CDEEMP C[N@H+]1CCCN(Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608757 523810860 /nfs/dbraw/zinc/81/08/60/523810860.db2.gz ADBPOXLINCVFKJ-UHFFFAOYSA-N 2 1 257.381 1.134 10 30 CDEEMP CN1CCC[N@H+](Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608757 523810867 /nfs/dbraw/zinc/81/08/67/523810867.db2.gz ADBPOXLINCVFKJ-UHFFFAOYSA-N 2 1 257.381 1.134 10 30 CDEEMP CN1CCC[N@@H+](Cc2ccc(C#CC[NH3+])cc2)CC1 ZINC000049608757 523810870 /nfs/dbraw/zinc/81/08/70/523810870.db2.gz ADBPOXLINCVFKJ-UHFFFAOYSA-N 2 1 257.381 1.134 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000049609764 527148060 /nfs/dbraw/zinc/14/80/60/527148060.db2.gz NGKWZRPHFUMGEY-CQSZACIVSA-N 2 1 262.328 1.093 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCC[C@H]2CCCO)cc1 ZINC000052763112 527148448 /nfs/dbraw/zinc/14/84/48/527148448.db2.gz YPZXZOSYVGSBKV-KRWDZBQOSA-N 2 1 272.392 1.734 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741707435 576568824 /nfs/dbraw/zinc/56/88/24/576568824.db2.gz FROJVBJKOJSUFB-KFWWJZLASA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000741707435 576568826 /nfs/dbraw/zinc/56/88/26/576568826.db2.gz FROJVBJKOJSUFB-KFWWJZLASA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741707435 576568827 /nfs/dbraw/zinc/56/88/27/576568827.db2.gz FROJVBJKOJSUFB-KFWWJZLASA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000741707435 576568829 /nfs/dbraw/zinc/56/88/29/576568829.db2.gz FROJVBJKOJSUFB-KFWWJZLASA-N 2 1 277.412 1.025 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001689346084 1175148029 /nfs/dbraw/zinc/14/80/29/1175148029.db2.gz 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C#CCC[NH+]1CC(N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001699725583 1176587777 /nfs/dbraw/zinc/58/77/77/1176587777.db2.gz KOOSXPCAGXHISV-UHFFFAOYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001700319497 1176849610 /nfs/dbraw/zinc/84/96/10/1176849610.db2.gz AUVLPFFNQUNAGO-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700319497 1176849619 /nfs/dbraw/zinc/84/96/19/1176849619.db2.gz AUVLPFFNQUNAGO-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C[C@@H]1C ZINC001700319497 1176849624 /nfs/dbraw/zinc/84/96/24/1176849624.db2.gz AUVLPFFNQUNAGO-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001700517236 1176991351 /nfs/dbraw/zinc/99/13/51/1176991351.db2.gz KMXUUVAYFXGUCZ-HOTGVXAUSA-N 2 1 293.455 1.757 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[NH+](C)CC(C)(C)C)C(C)C ZINC001700974107 1177217748 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C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC1CCC1 ZINC001707383861 1178005400 /nfs/dbraw/zinc/00/54/00/1178005400.db2.gz XYTFACHVBVPUMN-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC1CCC1 ZINC001707383861 1178005410 /nfs/dbraw/zinc/00/54/10/1178005410.db2.gz XYTFACHVBVPUMN-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC1 ZINC001707383861 1178005420 /nfs/dbraw/zinc/00/54/20/1178005420.db2.gz XYTFACHVBVPUMN-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC1 ZINC001707383861 1178005429 /nfs/dbraw/zinc/00/54/29/1178005429.db2.gz XYTFACHVBVPUMN-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713134542 1178388506 /nfs/dbraw/zinc/38/85/06/1178388506.db2.gz PECSFTFOQRNQPY-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001713134542 1178388498 /nfs/dbraw/zinc/38/84/98/1178388498.db2.gz PECSFTFOQRNQPY-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001713134542 1178388514 /nfs/dbraw/zinc/38/85/14/1178388514.db2.gz PECSFTFOQRNQPY-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001713220758 1178437791 /nfs/dbraw/zinc/43/77/91/1178437791.db2.gz SDTKWYOXXUYYET-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001713485287 1178600734 /nfs/dbraw/zinc/60/07/34/1178600734.db2.gz OCOMRWCTRJDTSJ-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001713485287 1178600738 /nfs/dbraw/zinc/60/07/38/1178600738.db2.gz OCOMRWCTRJDTSJ-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001713485287 1178600740 /nfs/dbraw/zinc/60/07/40/1178600740.db2.gz OCOMRWCTRJDTSJ-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001713519186 1178619735 /nfs/dbraw/zinc/61/97/35/1178619735.db2.gz UYWWYFSWLRXOTA-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001713519186 1178619739 /nfs/dbraw/zinc/61/97/39/1178619739.db2.gz UYWWYFSWLRXOTA-CQSZACIVSA-N 2 1 276.384 1.348 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713720447 1178720076 /nfs/dbraw/zinc/72/00/76/1178720076.db2.gz WFRYZPGBPADRBG-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713720447 1178720083 /nfs/dbraw/zinc/72/00/83/1178720083.db2.gz WFRYZPGBPADRBG-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713753115 1178737933 /nfs/dbraw/zinc/73/79/33/1178737933.db2.gz CUZJRRJVJMDWQC-OAHLLOKOSA-N 2 1 291.439 1.581 10 30 CDEEMP C#CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001713759718 1178742026 /nfs/dbraw/zinc/74/20/26/1178742026.db2.gz PMPPHGCACHTIQL-INIZCTEOSA-N 2 1 293.455 1.522 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001713832091 1178782258 /nfs/dbraw/zinc/78/22/58/1178782258.db2.gz VJSMMDRMLVASKR-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001713832091 1178782262 /nfs/dbraw/zinc/78/22/62/1178782262.db2.gz VJSMMDRMLVASKR-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713839423 1178787244 /nfs/dbraw/zinc/78/72/44/1178787244.db2.gz ZDFSMOIQSVCKTI-MRXNPFEDSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001714454638 1179146406 /nfs/dbraw/zinc/14/64/06/1179146406.db2.gz QNEISQBKADHDJD-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001714561593 1179216844 /nfs/dbraw/zinc/21/68/44/1179216844.db2.gz TXIRUCJAYKJZNX-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001714561593 1179216850 /nfs/dbraw/zinc/21/68/50/1179216850.db2.gz TXIRUCJAYKJZNX-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001714561593 1179216855 /nfs/dbraw/zinc/21/68/55/1179216855.db2.gz TXIRUCJAYKJZNX-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714617402 1179272908 /nfs/dbraw/zinc/27/29/08/1179272908.db2.gz HNSSETZXKSKKKC-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714617402 1179272914 /nfs/dbraw/zinc/27/29/14/1179272914.db2.gz HNSSETZXKSKKKC-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714617402 1179272922 /nfs/dbraw/zinc/27/29/22/1179272922.db2.gz HNSSETZXKSKKKC-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001714904527 1179446959 /nfs/dbraw/zinc/44/69/59/1179446959.db2.gz SVALWAIQPFBPPT-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001714904527 1179446961 /nfs/dbraw/zinc/44/69/61/1179446961.db2.gz SVALWAIQPFBPPT-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001714904527 1179446963 /nfs/dbraw/zinc/44/69/63/1179446963.db2.gz SVALWAIQPFBPPT-OAHLLOKOSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001715112927 1179555533 /nfs/dbraw/zinc/55/55/33/1179555533.db2.gz STJOURISXSBVJE-XNRPHZJLSA-N 2 1 279.428 1.387 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001715358747 1179641589 /nfs/dbraw/zinc/64/15/89/1179641589.db2.gz GWNJCUJHOPRLHA-AWEZNQCLSA-N 2 1 281.444 1.424 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C1CCCCC1 ZINC001715404388 1179658756 /nfs/dbraw/zinc/65/87/56/1179658756.db2.gz KDMXQAIMOPXDJP-MRXNPFEDSA-N 2 1 293.455 1.615 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715520700 1179698332 /nfs/dbraw/zinc/69/83/32/1179698332.db2.gz BHSWBLVXOGWWLO-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715825985 1179851685 /nfs/dbraw/zinc/85/16/85/1179851685.db2.gz IBIBWDPZYUXIRF-ISZGNANSSA-N 2 1 265.401 1.309 10 30 CDEEMP C#CC[N@@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001715868045 1179883718 /nfs/dbraw/zinc/88/37/18/1179883718.db2.gz NAXODVCRXAQISU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001715868045 1179883727 /nfs/dbraw/zinc/88/37/27/1179883727.db2.gz NAXODVCRXAQISU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001715868045 1179883737 /nfs/dbraw/zinc/88/37/37/1179883737.db2.gz NAXODVCRXAQISU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[NH+](C)CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001715868045 1179883744 /nfs/dbraw/zinc/88/37/44/1179883744.db2.gz NAXODVCRXAQISU-GJZGRUSLSA-N 2 1 277.412 1.027 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)Cn1c[nH+]cc1C ZINC001716065010 1180028347 /nfs/dbraw/zinc/02/83/47/1180028347.db2.gz IAOMAEGEWKRZPE-HUUCEWRRSA-N 2 1 288.395 1.089 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001717076352 1180524101 /nfs/dbraw/zinc/52/41/01/1180524101.db2.gz GCWFDFBCPIMYCZ-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001717109408 1180532862 /nfs/dbraw/zinc/53/28/62/1180532862.db2.gz CVDSORURQHTIPE-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C[C@@H]1C ZINC001717338642 1180622697 /nfs/dbraw/zinc/62/26/97/1180622697.db2.gz XTHAHRYXZVJFBN-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)C[C@H]1CC[NH+](C)C1)C(C)C ZINC001717952590 1180942693 /nfs/dbraw/zinc/94/26/93/1180942693.db2.gz ZQXNHGLRNRNIDN-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C(C)C ZINC001717952590 1180942699 /nfs/dbraw/zinc/94/26/99/1180942699.db2.gz ZQXNHGLRNRNIDN-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001717952590 1180942706 /nfs/dbraw/zinc/94/27/06/1180942706.db2.gz ZQXNHGLRNRNIDN-OAHLLOKOSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH2+][C@H](C)[C@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001725118228 1181871489 /nfs/dbraw/zinc/87/14/89/1181871489.db2.gz OMOUCKSISJEBPY-OLZOCXBDSA-N 2 1 299.378 1.550 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)Cc1ccccc1 ZINC001725128426 1181876035 /nfs/dbraw/zinc/87/60/35/1181876035.db2.gz MKKMHAOHCNDDDE-CABCVRRESA-N 2 1 287.407 1.234 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001725128426 1181876040 /nfs/dbraw/zinc/87/60/40/1181876040.db2.gz MKKMHAOHCNDDDE-CABCVRRESA-N 2 1 287.407 1.234 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001725371915 1181978617 /nfs/dbraw/zinc/97/86/17/1181978617.db2.gz JNCFFDLPGXYJGX-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001731450385 1182394871 /nfs/dbraw/zinc/39/48/71/1182394871.db2.gz HWJKNAAOBODEIY-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cnc[nH]2)C1 ZINC001731481141 1182412303 /nfs/dbraw/zinc/41/23/03/1182412303.db2.gz ZHAOHYIWIQYQTM-XJFOESAGSA-N 2 1 288.395 1.716 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H]([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001731561147 1182448767 /nfs/dbraw/zinc/44/87/67/1182448767.db2.gz ZHTSMEKRQLSERB-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001731561147 1182448773 /nfs/dbraw/zinc/44/87/73/1182448773.db2.gz ZHTSMEKRQLSERB-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+](C)CC)C1 ZINC001731561147 1182448780 /nfs/dbraw/zinc/44/87/80/1182448780.db2.gz ZHTSMEKRQLSERB-HZPDHXFCSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)CCC)CC1 ZINC001732600663 1183041377 /nfs/dbraw/zinc/04/13/77/1183041377.db2.gz TXWBKNSPKBNWJS-UHFFFAOYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH2+]CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001733106314 1183292307 /nfs/dbraw/zinc/29/23/07/1183292307.db2.gz DRHBBFHMQFVKTJ-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001733605144 1183478400 /nfs/dbraw/zinc/47/84/00/1183478400.db2.gz ZXJBMNXFOFTJBW-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001733605144 1183478402 /nfs/dbraw/zinc/47/84/02/1183478402.db2.gz ZXJBMNXFOFTJBW-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001733605144 1183478403 /nfs/dbraw/zinc/47/84/03/1183478403.db2.gz ZXJBMNXFOFTJBW-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001733767194 1183525665 /nfs/dbraw/zinc/52/56/65/1183525665.db2.gz RWWOCUMXJGDLJJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001733767194 1183525666 /nfs/dbraw/zinc/52/56/66/1183525666.db2.gz RWWOCUMXJGDLJJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001733767194 1183525667 /nfs/dbraw/zinc/52/56/67/1183525667.db2.gz RWWOCUMXJGDLJJ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001733902245 1183563034 /nfs/dbraw/zinc/56/30/34/1183563034.db2.gz UOZPFWAHAORCFK-GJZGRUSLSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001733938349 1183575190 /nfs/dbraw/zinc/57/51/90/1183575190.db2.gz OTJVMZISUUTJSC-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001734044034 1183632363 /nfs/dbraw/zinc/63/23/63/1183632363.db2.gz LSVXENJKSIECJK-AWEZNQCLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCCC[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001734047837 1183634433 /nfs/dbraw/zinc/63/44/33/1183634433.db2.gz GQDVZRKWCBSEEW-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CCCC)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001734098546 1183657181 /nfs/dbraw/zinc/65/71/81/1183657181.db2.gz YIMXXGIBIRVUSW-JKSUJKDBSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CC[NH+]1CCC([C@H](C)NC(=O)Cn2cc[nH+]c2C)CC1 ZINC001734586995 1183836396 /nfs/dbraw/zinc/83/63/96/1183836396.db2.gz CWYPSWAJVHJDRZ-ZDUSSCGKSA-N 2 1 288.395 1.041 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001750927857 1184782193 /nfs/dbraw/zinc/78/21/93/1184782193.db2.gz BZPMZRJAYYFIQL-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@](C)(O)C[NH+](C)C ZINC000921930400 819021968 /nfs/dbraw/zinc/02/19/68/819021968.db2.gz LHTYJSLKVVPGQT-MRXNPFEDSA-N 2 1 275.396 1.577 10 30 CDEEMP C[NH+](C)[C@H](CNC(=[NH2+])NC1CC1)Cc1ccccc1 ZINC000303265497 821836084 /nfs/dbraw/zinc/83/60/84/821836084.db2.gz UNXACRLUMYUWSF-AWEZNQCLSA-N 2 1 260.385 1.226 10 30 CDEEMP CCOCCCNC(=[NH2+])NCC[N@H+]1CCCC[C@H]1C ZINC000303887028 821841933 /nfs/dbraw/zinc/84/19/33/821841933.db2.gz KRRAPPUJWSGXDS-CYBMUJFWSA-N 2 1 270.421 1.192 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872200951 822573654 /nfs/dbraw/zinc/57/36/54/822573654.db2.gz OWXQPMHLIVBZHT-CQSZACIVSA-N 2 1 270.417 1.138 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001569118048 1167553605 /nfs/dbraw/zinc/55/36/05/1167553605.db2.gz NEKYWBKXIQHOTB-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001569118048 1167553611 /nfs/dbraw/zinc/55/36/11/1167553611.db2.gz NEKYWBKXIQHOTB-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001569118048 1167553615 /nfs/dbraw/zinc/55/36/15/1167553615.db2.gz NEKYWBKXIQHOTB-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001566567000 1168340465 /nfs/dbraw/zinc/34/04/65/1168340465.db2.gz SLSBHCKSIUWSPP-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001566962834 1168481783 /nfs/dbraw/zinc/48/17/83/1168481783.db2.gz MFLRTKBSSFUTIB-CABCVRRESA-N 2 1 290.411 1.594 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)Cn2c[nH+]cc2C)C1 ZINC001566962834 1168481787 /nfs/dbraw/zinc/48/17/87/1168481787.db2.gz MFLRTKBSSFUTIB-CABCVRRESA-N 2 1 290.411 1.594 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001567054333 1168536807 /nfs/dbraw/zinc/53/68/07/1168536807.db2.gz PSQVLJJGCPWOIP-XJKSGUPXSA-N 2 1 299.434 1.869 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567201755 1168616043 /nfs/dbraw/zinc/61/60/43/1168616043.db2.gz HNOXPXCDVGVPMV-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)CC(C)C ZINC001567335307 1168688898 /nfs/dbraw/zinc/68/88/98/1168688898.db2.gz QKRQHTRXAFQKTH-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)CC(C)C ZINC001567335307 1168688907 /nfs/dbraw/zinc/68/89/07/1168688907.db2.gz QKRQHTRXAFQKTH-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(C)C ZINC001567335307 1168688912 /nfs/dbraw/zinc/68/89/12/1168688912.db2.gz QKRQHTRXAFQKTH-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC(C)C ZINC001567335307 1168688918 /nfs/dbraw/zinc/68/89/18/1168688918.db2.gz QKRQHTRXAFQKTH-HNNXBMFYSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@H+]32)C1 ZINC001266693461 895845799 /nfs/dbraw/zinc/84/57/99/895845799.db2.gz ZZAVKVHSICTANJ-QKPAOTATSA-N 2 1 289.423 1.263 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266816485 896113192 /nfs/dbraw/zinc/11/31/92/896113192.db2.gz DJAZPEPCVNEBJI-HOTGVXAUSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001267198912 897126004 /nfs/dbraw/zinc/12/60/04/897126004.db2.gz CZQPNGNSGPNQJF-INIZCTEOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001267201064 897130436 /nfs/dbraw/zinc/13/04/36/897130436.db2.gz JSEMTMHFJTZUMB-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001267257867 897361900 /nfs/dbraw/zinc/36/19/00/897361900.db2.gz YRJDPVXKUZTUFO-INIZCTEOSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001267257867 897361913 /nfs/dbraw/zinc/36/19/13/897361913.db2.gz YRJDPVXKUZTUFO-INIZCTEOSA-N 2 1 293.455 1.709 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001267257867 897361923 /nfs/dbraw/zinc/36/19/23/897361923.db2.gz YRJDPVXKUZTUFO-INIZCTEOSA-N 2 1 293.455 1.709 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001272617524 914186127 /nfs/dbraw/zinc/18/61/27/914186127.db2.gz WJUYYRCLWBQICT-JKSUJKDBSA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001267517057 898205604 /nfs/dbraw/zinc/20/56/04/898205604.db2.gz LWAWNEKBZYLOAE-IAGOWNOFSA-N 2 1 299.418 1.551 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267653781 899177853 /nfs/dbraw/zinc/17/78/53/899177853.db2.gz YSPRPOBKVLUHCP-CABCVRRESA-N 2 1 297.418 1.080 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001481229308 899513502 /nfs/dbraw/zinc/51/35/02/899513502.db2.gz RFINVDHZHFPOGX-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]CC1(NC(=O)C[N@H+]2CC[C@@H](C)C2)CCCC1 ZINC001267841376 899853767 /nfs/dbraw/zinc/85/37/67/899853767.db2.gz RMLWFPBMOUATOB-OAHLLOKOSA-N 2 1 291.439 1.370 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001267989557 900208087 /nfs/dbraw/zinc/20/80/87/900208087.db2.gz MOPWKSIHORQJIL-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001268214734 901584475 /nfs/dbraw/zinc/58/44/75/901584475.db2.gz ZFJIVEZYPWQZDV-AWEZNQCLSA-N 2 1 267.417 1.387 10 30 CDEEMP C=CC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001567752435 1168951868 /nfs/dbraw/zinc/95/18/68/1168951868.db2.gz SHAOZPFFBYKAIS-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001567752435 1168951874 /nfs/dbraw/zinc/95/18/74/1168951874.db2.gz SHAOZPFFBYKAIS-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001567752435 1168951879 /nfs/dbraw/zinc/95/18/79/1168951879.db2.gz SHAOZPFFBYKAIS-MRXNPFEDSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+](C)C ZINC001481678783 901786040 /nfs/dbraw/zinc/78/60/40/901786040.db2.gz YSODQGPADCUEOU-GJZGRUSLSA-N 2 1 279.428 1.580 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001481740998 901987404 /nfs/dbraw/zinc/98/74/04/901987404.db2.gz HKSPZWQFFGVDBC-CVEARBPZSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001496625566 902111719 /nfs/dbraw/zinc/11/17/19/902111719.db2.gz AZVSHMMWWMZFKJ-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481778592 902118698 /nfs/dbraw/zinc/11/86/98/902118698.db2.gz WOEPUKKTOUNJAX-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481778592 902118705 /nfs/dbraw/zinc/11/87/05/902118705.db2.gz WOEPUKKTOUNJAX-INIZCTEOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001269292101 903664052 /nfs/dbraw/zinc/66/40/52/903664052.db2.gz OVIAXGJXZDCODN-UONOGXRCSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001269345398 903722163 /nfs/dbraw/zinc/72/21/63/903722163.db2.gz PTQNRGPLQCIYIW-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001270189185 904428149 /nfs/dbraw/zinc/42/81/49/904428149.db2.gz ZHIVUQCDBONGEV-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)Cn1cc[nH+]c1C)C1CCCC1 ZINC001270458016 904654606 /nfs/dbraw/zinc/65/46/06/904654606.db2.gz JDEKKFJALKYZJA-HNNXBMFYSA-N 2 1 290.411 1.642 10 30 CDEEMP C=C(C)CC[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001505625403 908086258 /nfs/dbraw/zinc/08/62/58/908086258.db2.gz JRRZQCNJGYAWIQ-ZIAGYGMSSA-N 2 1 281.444 1.920 10 30 CDEEMP C=CCCC[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001482642228 908108630 /nfs/dbraw/zinc/10/86/30/908108630.db2.gz AICQXXNRFLLRCP-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482642228 908108641 /nfs/dbraw/zinc/10/86/41/908108641.db2.gz AICQXXNRFLLRCP-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=CCCC[NH+](C)CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482642228 908108650 /nfs/dbraw/zinc/10/86/50/908108650.db2.gz 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C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317177005 957322846 /nfs/dbraw/zinc/32/28/46/957322846.db2.gz FRNNNAGMVBPEJJ-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317177005 957322854 /nfs/dbraw/zinc/32/28/54/957322854.db2.gz FRNNNAGMVBPEJJ-HZPDHXFCSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001332043716 957412997 /nfs/dbraw/zinc/41/29/97/957412997.db2.gz ASEANILTGVJPPH-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317346585 957432154 /nfs/dbraw/zinc/43/21/54/957432154.db2.gz XFNZCIQCVZSSOX-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317507648 957518678 /nfs/dbraw/zinc/51/86/78/957518678.db2.gz DFDQLLFOFJICCK-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001318025321 957870842 /nfs/dbraw/zinc/87/08/42/957870842.db2.gz LJTJASIJIKASPH-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCCCC[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001318025321 957870846 /nfs/dbraw/zinc/87/08/46/957870846.db2.gz LJTJASIJIKASPH-GDBMZVCRSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001318042323 957877350 /nfs/dbraw/zinc/87/73/50/957877350.db2.gz CCAOZYIDWIOSNP-UHFFFAOYSA-N 2 1 277.412 1.381 10 30 CDEEMP CC#CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCCC[N@H+]1C)C1CC1 ZINC001318712047 958240357 /nfs/dbraw/zinc/24/03/57/958240357.db2.gz WULOGYXJHIMWRX-RDJZCZTQSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001318729747 958247745 /nfs/dbraw/zinc/24/77/45/958247745.db2.gz POSNDVJRJBCLEG-RHSMWYFYSA-N 2 1 291.439 1.226 10 30 CDEEMP C=CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001333420854 958323448 /nfs/dbraw/zinc/32/34/48/958323448.db2.gz ZBOZTIOKVYVTBQ-UHFFFAOYSA-N 2 1 291.439 1.653 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001319454398 958574663 /nfs/dbraw/zinc/57/46/63/958574663.db2.gz NDACIDDZNHIEOF-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC001333995775 958750799 /nfs/dbraw/zinc/75/07/99/958750799.db2.gz SONMSMJJKCQHHB-AWEZNQCLSA-N 2 1 265.401 1.191 10 30 CDEEMP C=CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001323107303 960456117 /nfs/dbraw/zinc/45/61/17/960456117.db2.gz ADMOGTDHWGLJQR-GJZGRUSLSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001444854142 965976132 /nfs/dbraw/zinc/97/61/32/965976132.db2.gz CCKQZMIQBJBDQS-OLZOCXBDSA-N 2 1 287.835 1.564 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N[C@H]1C[N@H+](CC)CC1(C)C ZINC001456233246 968911603 /nfs/dbraw/zinc/91/16/03/968911603.db2.gz WJDMJBOBUSQPQJ-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP CCNC(NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)=[NH+]CC ZINC000849045587 969432056 /nfs/dbraw/zinc/43/20/56/969432056.db2.gz BHGUZRDTAIVLOO-CVEARBPZSA-N 2 1 288.439 1.907 10 30 CDEEMP C=CCC[C@@H](O)C[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001460778714 969543167 /nfs/dbraw/zinc/54/31/67/969543167.db2.gz VDLWONORDZJKRD-MRXNPFEDSA-N 2 1 282.428 1.547 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccnc1 ZINC001357461737 969594275 /nfs/dbraw/zinc/59/42/75/969594275.db2.gz AUDRPXAYHJIYAO-GJZGRUSLSA-N 2 1 288.395 1.238 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C#N ZINC001464693088 969807298 /nfs/dbraw/zinc/80/72/98/969807298.db2.gz HSBUHVODKOBZRE-QLFBSQMISA-N 2 1 292.427 1.021 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001496366196 972901352 /nfs/dbraw/zinc/90/13/52/972901352.db2.gz ATXSVSUQJWOASA-HUUCEWRRSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[NH+](C)CCN(C)C(=O)C[N@H+](C)C(C)C ZINC001496843818 973117625 /nfs/dbraw/zinc/11/76/25/973117625.db2.gz FKKINAVPKFLRNM-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=C(C)C[N@@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001496843818 973117630 /nfs/dbraw/zinc/11/76/30/973117630.db2.gz FKKINAVPKFLRNM-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C[NH+](C)C(C)C ZINC001496843818 973117636 /nfs/dbraw/zinc/11/76/36/973117636.db2.gz FKKINAVPKFLRNM-UHFFFAOYSA-N 2 1 255.406 1.293 10 30 CDEEMP C=CCC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001497329898 973289039 /nfs/dbraw/zinc/28/90/39/973289039.db2.gz FIUFKMNYNKTTDE-HUUCEWRRSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H](C)NC(=O)CCCC[NH+]1CCCC1 ZINC001498463227 973932447 /nfs/dbraw/zinc/93/24/47/973932447.db2.gz CVDGXPFJZRGDMT-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001374755677 974106779 /nfs/dbraw/zinc/10/67/79/974106779.db2.gz JDWGWUUJPKAWAS-FRRDWIJNSA-N 2 1 287.835 1.564 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001501149677 974541995 /nfs/dbraw/zinc/54/19/95/974541995.db2.gz 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C[NH+](CC#CC[N@H+](C)[C@H]1CCCOC1)[C@H]1CCCOC1 ZINC000352222865 529823157 /nfs/dbraw/zinc/82/31/57/529823157.db2.gz SQHITWDXDICZFZ-HOTGVXAUSA-N 2 1 280.412 1.211 10 30 CDEEMP Cc1cc(NC[C@H]2CCc3[nH+]ccn3C2)c(C#N)c(C)n1 ZINC000328624731 351305348 /nfs/dbraw/zinc/30/53/48/351305348.db2.gz KCQDDXFKPMMADM-CYBMUJFWSA-N 2 1 281.363 1.863 10 30 CDEEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804898 360285149 /nfs/dbraw/zinc/28/51/49/360285149.db2.gz NHDNUUOFRNHKLM-HUUCEWRRSA-N 2 1 294.443 1.411 10 30 CDEEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804898 360285150 /nfs/dbraw/zinc/28/51/50/360285150.db2.gz NHDNUUOFRNHKLM-HUUCEWRRSA-N 2 1 294.443 1.411 10 30 CDEEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N(C)CCC#N)[C@H](C)C1 ZINC000092804898 360285156 /nfs/dbraw/zinc/28/51/56/360285156.db2.gz NHDNUUOFRNHKLM-HUUCEWRRSA-N 2 1 294.443 1.411 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@H]2CC[N@@H+](CCOC)C2)CC1 ZINC000344067735 379129022 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1.273 10 30 CDEEMP C=C(C)CC[NH+](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001663180109 1172651100 /nfs/dbraw/zinc/65/11/00/1172651100.db2.gz JLIHSMSATXNHJL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663180109 1172651102 /nfs/dbraw/zinc/65/11/02/1172651102.db2.gz JLIHSMSATXNHJL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001663180109 1172651105 /nfs/dbraw/zinc/65/11/05/1172651105.db2.gz JLIHSMSATXNHJL-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001663593060 1172731980 /nfs/dbraw/zinc/73/19/80/1172731980.db2.gz QTOWJPRWOIWIPR-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001663593060 1172731985 /nfs/dbraw/zinc/73/19/85/1172731985.db2.gz QTOWJPRWOIWIPR-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001663593060 1172731993 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10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000662685432 413309069 /nfs/dbraw/zinc/30/90/69/413309069.db2.gz TUTBUKURRDCGQN-MRXNPFEDSA-N 2 1 277.412 1.239 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCC2)C1 ZINC001665687082 1173038355 /nfs/dbraw/zinc/03/83/55/1173038355.db2.gz WOIXIMIPBWVKSV-OAHLLOKOSA-N 2 1 277.412 1.028 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001665743346 1173049764 /nfs/dbraw/zinc/04/97/64/1173049764.db2.gz XGBACRJTZXDHSS-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001665743346 1173049768 /nfs/dbraw/zinc/04/97/68/1173049768.db2.gz XGBACRJTZXDHSS-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP CC#CC[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001665743346 1173049771 /nfs/dbraw/zinc/04/97/71/1173049771.db2.gz XGBACRJTZXDHSS-HNNXBMFYSA-N 2 1 279.428 1.273 10 30 CDEEMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295147 414620703 /nfs/dbraw/zinc/62/07/03/414620703.db2.gz FNZCCYVERMHKRT-UKRRQHHQSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)COC ZINC000662298813 414623024 /nfs/dbraw/zinc/62/30/24/414623024.db2.gz HGHLBZRZHKHBJE-QWHCGFSZSA-N 2 1 254.374 1.030 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)s1 ZINC000043683950 175092400 /nfs/dbraw/zinc/09/24/00/175092400.db2.gz YEVCXWCMPZURBA-GFCCVEGCSA-N 2 1 264.394 1.405 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001667211155 1173245906 /nfs/dbraw/zinc/24/59/06/1173245906.db2.gz RDFXNJKFWJDISV-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001667751635 1173320060 /nfs/dbraw/zinc/32/00/60/1173320060.db2.gz LXCWUWRUKIGRQL-HUUCEWRRSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001669812301 1173612429 /nfs/dbraw/zinc/61/24/29/1173612429.db2.gz XSRCFAHLVVTABZ-DZGCQCFKSA-N 2 1 279.428 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001669899658 1173626998 /nfs/dbraw/zinc/62/69/98/1173626998.db2.gz YOLHAMYLUXHSAX-AWEZNQCLSA-N 2 1 292.427 1.984 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001669899658 1173627001 /nfs/dbraw/zinc/62/70/01/1173627001.db2.gz YOLHAMYLUXHSAX-AWEZNQCLSA-N 2 1 292.427 1.984 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001690874978 1175597303 /nfs/dbraw/zinc/59/73/03/1175597303.db2.gz XYJAJGYPJMMZEA-KBPBESRZSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CC ZINC001267386494 1159358078 /nfs/dbraw/zinc/35/80/78/1159358078.db2.gz JKFADAMKMYUQID-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]C[C@@H](C)CC ZINC001267386494 1159358082 /nfs/dbraw/zinc/35/80/82/1159358082.db2.gz JKFADAMKMYUQID-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001268016154 1159649168 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COc1ccc(C#CC[NH3+])cc1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000049609677 523513739 /nfs/dbraw/zinc/51/37/39/523513739.db2.gz PPNSIMXGEDGLMV-INIZCTEOSA-N 2 1 288.391 1.616 10 30 CDEEMP C[C@@H](C[C@](C)(C#N)NC1CC1)[NH+](C)C[C@@H]1CC[N@H+](C)C1 ZINC000068616290 524860021 /nfs/dbraw/zinc/86/00/21/524860021.db2.gz WZCYDXXYSJMBNA-SQWLQELKSA-N 2 1 278.444 1.683 10 30 CDEEMP C[C@@H](C[C@](C)(C#N)NC1CC1)[N@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616290 524859997 /nfs/dbraw/zinc/85/99/97/524859997.db2.gz WZCYDXXYSJMBNA-SQWLQELKSA-N 2 1 278.444 1.683 10 30 CDEEMP C[C@@H](C[C@](C)(C#N)NC1CC1)[N@@H+](C)C[C@@H]1CC[NH+](C)C1 ZINC000068616290 524860008 /nfs/dbraw/zinc/86/00/08/524860008.db2.gz WZCYDXXYSJMBNA-SQWLQELKSA-N 2 1 278.444 1.683 10 30 CDEEMP C[C@@H](C[C@](C)(C#N)NC1CC1)[NH+](C)C[C@@H]1CC[N@@H+](C)C1 ZINC000068616290 524860034 /nfs/dbraw/zinc/86/00/34/524860034.db2.gz WZCYDXXYSJMBNA-SQWLQELKSA-N 2 1 278.444 1.683 10 30 CDEEMP [NH3+]CC#Cc1cccc(CN2CCC[N@H+]3CCC[C@@H]3C2)c1 ZINC000062941474 527151956 /nfs/dbraw/zinc/15/19/56/527151956.db2.gz QJZPMPBRGFLTOF-GOSISDBHSA-N 2 1 283.419 1.667 10 30 CDEEMP C=CCCC[C@H](C)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000354874125 527273643 /nfs/dbraw/zinc/27/36/43/527273643.db2.gz HUAOBACKPQYWIJ-INIZCTEOSA-N 2 1 296.455 1.890 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N2CC[C@H]([N@H+](C)CC)C2)CC1 ZINC001678389721 1174435972 /nfs/dbraw/zinc/43/59/72/1174435972.db2.gz BICUUYRWYXEWCU-HNNXBMFYSA-N 2 1 294.443 1.372 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@@H]2C1 ZINC001689230145 1175122873 /nfs/dbraw/zinc/12/28/73/1175122873.db2.gz PGOKOBJBFPAYFH-CABCVRRESA-N 2 1 279.428 1.295 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903091480 625823456 /nfs/dbraw/zinc/82/34/56/625823456.db2.gz UTFSLRSGAHUHOE-JKSUJKDBSA-N 2 1 280.412 1.565 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([NH+]2CCC2)[C@@H](F)C1 ZINC000907794999 627839497 /nfs/dbraw/zinc/83/94/97/627839497.db2.gz WDMIYFHHHROHKS-KBPBESRZSA-N 2 1 283.391 1.139 10 30 CDEEMP CC#CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001266410034 1158534688 /nfs/dbraw/zinc/53/46/88/1158534688.db2.gz WXUCBRVDQUXARP-HZPDHXFCSA-N 2 1 291.439 1.367 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)CCC ZINC001267282192 1159234537 /nfs/dbraw/zinc/23/45/37/1159234537.db2.gz UJHYGFVKJJQNDQ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH2+]CCCCCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001691454252 1159314316 /nfs/dbraw/zinc/31/43/16/1159314316.db2.gz BTDZWOLTVYBCMB-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001566665513 1168376890 /nfs/dbraw/zinc/37/68/90/1168376890.db2.gz XDVQOGBAVQMMMF-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566665513 1168376896 /nfs/dbraw/zinc/37/68/96/1168376896.db2.gz XDVQOGBAVQMMMF-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001566665513 1168376901 /nfs/dbraw/zinc/37/69/01/1168376901.db2.gz XDVQOGBAVQMMMF-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567201755 1168616033 /nfs/dbraw/zinc/61/60/33/1168616033.db2.gz HNOXPXCDVGVPMV-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567201755 1168616026 /nfs/dbraw/zinc/61/60/26/1168616026.db2.gz HNOXPXCDVGVPMV-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[N@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567196766 1168616505 /nfs/dbraw/zinc/61/65/05/1168616505.db2.gz PZCPGRLETCYTMC-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001569543869 1169918316 /nfs/dbraw/zinc/91/83/16/1169918316.db2.gz BMBNUHZJVCGVLH-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001570018632 1170060017 /nfs/dbraw/zinc/06/00/17/1170060017.db2.gz HCQHTWBWXRYVGB-HUUCEWRRSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCCC[NH+]1CC([C@@H](C)NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001570860491 1170303942 /nfs/dbraw/zinc/30/39/42/1170303942.db2.gz UXTDCQFIBWNNND-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001663761553 1172757875 /nfs/dbraw/zinc/75/78/75/1172757875.db2.gz URXROWSSXRBHBD-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001663761553 1172757881 /nfs/dbraw/zinc/75/78/81/1172757881.db2.gz URXROWSSXRBHBD-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC1 ZINC001663761553 1172757888 /nfs/dbraw/zinc/75/78/88/1172757888.db2.gz URXROWSSXRBHBD-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21)C1CC1 ZINC001663761553 1172757894 /nfs/dbraw/zinc/75/78/94/1172757894.db2.gz URXROWSSXRBHBD-HZPDHXFCSA-N 2 1 289.423 1.217 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001665597031 1173016348 /nfs/dbraw/zinc/01/63/48/1173016348.db2.gz FEKYFZFDVXMOST-OAHLLOKOSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001671892942 1173720068 /nfs/dbraw/zinc/72/00/68/1173720068.db2.gz VQYMYGDSDTZLRJ-WBVHZDCISA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)Cn2ccnc2C)CC1 ZINC001676082167 1174179570 /nfs/dbraw/zinc/17/95/70/1174179570.db2.gz GGOKIWBCNNMCBL-UHFFFAOYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001676082167 1174179577 /nfs/dbraw/zinc/17/95/77/1174179577.db2.gz GGOKIWBCNNMCBL-UHFFFAOYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001676082167 1174179584 /nfs/dbraw/zinc/17/95/84/1174179584.db2.gz GGOKIWBCNNMCBL-UHFFFAOYSA-N 2 1 290.411 1.690 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\Cl ZINC001676365581 1174215660 /nfs/dbraw/zinc/21/56/60/1174215660.db2.gz YQZHMBKVPSUCNO-APMKWMSLSA-N 2 1 297.830 1.273 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001698557850 1174846337 /nfs/dbraw/zinc/84/63/37/1174846337.db2.gz ODJREDAMVLBKSZ-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001698557850 1174846343 /nfs/dbraw/zinc/84/63/43/1174846343.db2.gz ODJREDAMVLBKSZ-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001698557850 1174846349 /nfs/dbraw/zinc/84/63/49/1174846349.db2.gz ODJREDAMVLBKSZ-HUUCEWRRSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC001690338217 1175443712 /nfs/dbraw/zinc/44/37/12/1175443712.db2.gz ONAKJOTYCGNAEQ-MELADBBJSA-N 2 1 290.411 1.819 10 30 CDEEMP C=CC[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001690587782 1175513812 /nfs/dbraw/zinc/51/38/12/1175513812.db2.gz XYQMIPBSHHDNJR-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)c1cc(C[NH+](C)C)on1 ZINC001690596706 1175517233 /nfs/dbraw/zinc/51/72/33/1175517233.db2.gz YDMDRZVVDDUQJS-LLVKDONJSA-N 2 1 280.372 1.020 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001692332618 1175739033 /nfs/dbraw/zinc/73/90/33/1175739033.db2.gz AOUGSPSSTCCLSB-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CCCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001698601154 1175866781 /nfs/dbraw/zinc/86/67/81/1175866781.db2.gz OSCVMSWTUDVDPU-RBSFLKMASA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001698998389 1176029966 /nfs/dbraw/zinc/02/99/66/1176029966.db2.gz WNJDEPXBIWZEIS-AWEZNQCLSA-N 2 1 292.427 1.945 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001698998389 1176029973 /nfs/dbraw/zinc/02/99/73/1176029973.db2.gz WNJDEPXBIWZEIS-AWEZNQCLSA-N 2 1 292.427 1.945 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)[C@@H](C)Cc1cnc[nH]1 ZINC001698998389 1176029979 /nfs/dbraw/zinc/02/99/79/1176029979.db2.gz WNJDEPXBIWZEIS-AWEZNQCLSA-N 2 1 292.427 1.945 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001699134033 1176107875 /nfs/dbraw/zinc/10/78/75/1176107875.db2.gz HGXYSGCPSHGASS-CZUORRHYSA-N 2 1 299.434 1.869 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001699474289 1176433454 /nfs/dbraw/zinc/43/34/54/1176433454.db2.gz MHMCDFAPHVCXPN-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001699474289 1176433458 /nfs/dbraw/zinc/43/34/58/1176433458.db2.gz MHMCDFAPHVCXPN-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001699474289 1176433462 /nfs/dbraw/zinc/43/34/62/1176433462.db2.gz MHMCDFAPHVCXPN-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001699474289 1176433465 /nfs/dbraw/zinc/43/34/65/1176433465.db2.gz MHMCDFAPHVCXPN-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)C[NH2+]C[C@]1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001699853187 1176657600 /nfs/dbraw/zinc/65/76/00/1176657600.db2.gz HYKDTRYICTYPRN-WBVHZDCISA-N 2 1 293.455 1.733 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)CCC ZINC001700016769 1176720076 /nfs/dbraw/zinc/72/00/76/1176720076.db2.gz KWEPRPPGOHPTAI-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001700016769 1176720083 /nfs/dbraw/zinc/72/00/83/1176720083.db2.gz KWEPRPPGOHPTAI-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CCC ZINC001700016769 1176720091 /nfs/dbraw/zinc/72/00/91/1176720091.db2.gz KWEPRPPGOHPTAI-HZPDHXFCSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001700019916 1176721652 /nfs/dbraw/zinc/72/16/52/1176721652.db2.gz DONKNXVRBFCTNB-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001700019916 1176721657 /nfs/dbraw/zinc/72/16/57/1176721657.db2.gz DONKNXVRBFCTNB-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001700019916 1176721662 /nfs/dbraw/zinc/72/16/62/1176721662.db2.gz DONKNXVRBFCTNB-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+](C)CCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001700193400 1176793139 /nfs/dbraw/zinc/79/31/39/1176793139.db2.gz YNVPMOGGFQFUMH-CYBMUJFWSA-N 2 1 276.384 1.002 10 30 CDEEMP C#CC[N@H+](C)CCCN(C)C(=O)[C@H](C)Cc1cnc[nH]1 ZINC001700193400 1176793147 /nfs/dbraw/zinc/79/31/47/1176793147.db2.gz YNVPMOGGFQFUMH-CYBMUJFWSA-N 2 1 276.384 1.002 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001700714450 1177088518 /nfs/dbraw/zinc/08/85/18/1177088518.db2.gz FJFHIVXDFCSGSH-CQSZACIVSA-N 2 1 278.400 1.498 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001700758608 1177117706 /nfs/dbraw/zinc/11/77/06/1177117706.db2.gz CUVZGLIJVTWKLN-CHWSQXEVSA-N 2 1 253.390 1.093 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1C ZINC001700822084 1177150268 /nfs/dbraw/zinc/15/02/68/1177150268.db2.gz IRWSQPLTIMXUKK-LSDHHAIUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001700898847 1177187045 /nfs/dbraw/zinc/18/70/45/1177187045.db2.gz BROKIDCAVGAGCF-GJZGRUSLSA-N 2 1 290.411 1.642 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001701056117 1177258359 /nfs/dbraw/zinc/25/83/59/1177258359.db2.gz XIRVVEYFJRRLDK-UHFFFAOYSA-N 2 1 277.412 1.100 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)CCCn2cc[nH+]c2C)C1 ZINC001707087970 1177946866 /nfs/dbraw/zinc/94/68/66/1177946866.db2.gz LHAOWKFXIOPTRM-SHTZXODSSA-N 2 1 288.395 1.089 10 30 CDEEMP C#CC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001707462471 1178060769 /nfs/dbraw/zinc/06/07/69/1178060769.db2.gz QOOGUHPSRUOVGA-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001707462471 1178060775 /nfs/dbraw/zinc/06/07/75/1178060775.db2.gz QOOGUHPSRUOVGA-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CC[N@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001707462471 1178060782 /nfs/dbraw/zinc/06/07/82/1178060782.db2.gz QOOGUHPSRUOVGA-MRXNPFEDSA-N 2 1 293.455 1.570 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001712990526 1178288886 /nfs/dbraw/zinc/28/88/86/1178288886.db2.gz CCAGYSIYYSURNX-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001712990526 1178288892 /nfs/dbraw/zinc/28/88/92/1178288892.db2.gz CCAGYSIYYSURNX-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001712990526 1178288899 /nfs/dbraw/zinc/28/88/99/1178288899.db2.gz CCAGYSIYYSURNX-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713278111 1178462957 /nfs/dbraw/zinc/46/29/57/1178462957.db2.gz QYOBLUDYVAGFPH-GJZGRUSLSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001713330875 1178500699 /nfs/dbraw/zinc/50/06/99/1178500699.db2.gz FOKHSHPRWBZEMZ-HUUCEWRRSA-N 2 1 279.428 1.226 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001713477575 1178592747 /nfs/dbraw/zinc/59/27/47/1178592747.db2.gz VUMNELZPXFKKLK-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713530343 1178628870 /nfs/dbraw/zinc/62/88/70/1178628870.db2.gz CVCZEWWLEIFZTE-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001713558392 1178645805 /nfs/dbraw/zinc/64/58/05/1178645805.db2.gz ILGPMZQICZISET-HOTGVXAUSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001713558392 1178645810 /nfs/dbraw/zinc/64/58/10/1178645810.db2.gz ILGPMZQICZISET-HOTGVXAUSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001713558392 1178645812 /nfs/dbraw/zinc/64/58/12/1178645812.db2.gz ILGPMZQICZISET-HOTGVXAUSA-N 2 1 291.439 1.770 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713737319 1178731890 /nfs/dbraw/zinc/73/18/90/1178731890.db2.gz CSFMPUGULNDYSA-HOTGVXAUSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001714014056 1178928524 /nfs/dbraw/zinc/92/85/24/1178928524.db2.gz KREMZTUUUFUDAX-HUUCEWRRSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001714088189 1178967129 /nfs/dbraw/zinc/96/71/29/1178967129.db2.gz GPWVCBJNMCWHSJ-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714569654 1179226618 /nfs/dbraw/zinc/22/66/18/1179226618.db2.gz ANDSLDPCNKDTDW-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001714732395 1179364707 /nfs/dbraw/zinc/36/47/07/1179364707.db2.gz XHUSPWBPIZEQEY-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001714816871 1179410105 /nfs/dbraw/zinc/41/01/05/1179410105.db2.gz RUCZFGJPQZXYJK-ZFWWWQNUSA-N 2 1 279.428 1.341 10 30 CDEEMP C#CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001714822840 1179411404 /nfs/dbraw/zinc/41/14/04/1179411404.db2.gz ZESGWEVFRLLPIE-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001714822840 1179411407 /nfs/dbraw/zinc/41/14/07/1179411407.db2.gz ZESGWEVFRLLPIE-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001714822840 1179411409 /nfs/dbraw/zinc/41/14/09/1179411409.db2.gz ZESGWEVFRLLPIE-JKSUJKDBSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001714988099 1179494452 /nfs/dbraw/zinc/49/44/52/1179494452.db2.gz FVKURMJEJNSVQT-KKUMJFAQSA-N 2 1 297.418 1.528 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](F)C[NH+](CC)CC ZINC001714988099 1179494456 /nfs/dbraw/zinc/49/44/56/1179494456.db2.gz FVKURMJEJNSVQT-KKUMJFAQSA-N 2 1 297.418 1.528 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001715045832 1179526747 /nfs/dbraw/zinc/52/67/47/1179526747.db2.gz LFMYUQUWVXCSLB-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001715045832 1179526748 /nfs/dbraw/zinc/52/67/48/1179526748.db2.gz LFMYUQUWVXCSLB-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715225983 1179585127 /nfs/dbraw/zinc/58/51/27/1179585127.db2.gz DTPMTXNURVUTMB-LSDHHAIUSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001715576996 1179723361 /nfs/dbraw/zinc/72/33/61/1179723361.db2.gz NOKCYNUKRNKUDS-HUUCEWRRSA-N 2 1 279.428 1.224 10 30 CDEEMP C=CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001715727388 1179781289 /nfs/dbraw/zinc/78/12/89/1179781289.db2.gz HAHHUOCPTQSNTR-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001715838420 1179861548 /nfs/dbraw/zinc/86/15/48/1179861548.db2.gz GXOULNJHHAVHHU-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716022156 1179997735 /nfs/dbraw/zinc/99/77/35/1179997735.db2.gz AYDMUDJRCCXAGS-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001716465801 1180225675 /nfs/dbraw/zinc/22/56/75/1180225675.db2.gz KRZRUCMVBUSYPM-GOEBONIOSA-N 2 1 289.423 1.960 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001716671612 1180357452 /nfs/dbraw/zinc/35/74/52/1180357452.db2.gz QZVVHSVOWLBAPJ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716671612 1180357460 /nfs/dbraw/zinc/35/74/60/1180357460.db2.gz QZVVHSVOWLBAPJ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001716671612 1180357468 /nfs/dbraw/zinc/35/74/68/1180357468.db2.gz QZVVHSVOWLBAPJ-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001716799266 1180419380 /nfs/dbraw/zinc/41/93/80/1180419380.db2.gz BJKFBVILAZZQFA-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001716879546 1180452011 /nfs/dbraw/zinc/45/20/11/1180452011.db2.gz ZCGITLSMWDXNIU-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+](C)C)C[C@H]2C1 ZINC001717622559 1180760647 /nfs/dbraw/zinc/76/06/47/1180760647.db2.gz IEQZYQJUTGNVJC-JYJNAYRXSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[NH2+]C[C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001717648110 1180773023 /nfs/dbraw/zinc/77/30/23/1180773023.db2.gz PABUXPIMRDUVIS-KKUMJFAQSA-N 2 1 279.428 1.389 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001717800969 1180861338 /nfs/dbraw/zinc/86/13/38/1180861338.db2.gz DGVAFQDDLYZOOE-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001723483497 1181574894 /nfs/dbraw/zinc/57/48/94/1181574894.db2.gz RPXRQMPBAZNOTO-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001723483497 1181574897 /nfs/dbraw/zinc/57/48/97/1181574897.db2.gz RPXRQMPBAZNOTO-OAHLLOKOSA-N 2 1 279.428 1.629 10 30 CDEEMP C=CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001724250202 1181658552 /nfs/dbraw/zinc/65/85/52/1181658552.db2.gz NDBLWYKYFHTGPI-ZBFHGGJFSA-N 2 1 279.428 1.342 10 30 CDEEMP C=CCC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001725380609 1181981341 /nfs/dbraw/zinc/98/13/41/1181981341.db2.gz UEHSSADSUQMRKH-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001731420951 1182374049 /nfs/dbraw/zinc/37/40/49/1182374049.db2.gz AUVQMWKGIVEJOY-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001731420951 1182374056 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CDEEMP C=CCC[C@@H](C)[N@H+](C)CCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001731795999 1182587092 /nfs/dbraw/zinc/58/70/92/1182587092.db2.gz NFSAFSIDICTVCK-HUUCEWRRSA-N 2 1 297.443 1.110 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC1 ZINC001732202169 1182854633 /nfs/dbraw/zinc/85/46/33/1182854633.db2.gz YBNNOMAJSOERSL-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC1 ZINC001732202169 1182854642 /nfs/dbraw/zinc/85/46/42/1182854642.db2.gz YBNNOMAJSOERSL-HOTGVXAUSA-N 2 1 291.439 1.369 10 30 CDEEMP C=C(C)CC[NH+]1CCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001732383106 1182939740 /nfs/dbraw/zinc/93/97/40/1182939740.db2.gz CJUPMUSCTKZIFC-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001732383106 1182939743 /nfs/dbraw/zinc/93/97/43/1182939743.db2.gz CJUPMUSCTKZIFC-OAHLLOKOSA-N 2 1 297.443 1.111 10 30 CDEEMP C=C(C)CC[N@H+]1CCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001732383106 1182939747 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10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001265401035 944373303 /nfs/dbraw/zinc/37/33/03/944373303.db2.gz IZRNSJONFQIARC-HNNXBMFYSA-N 2 1 290.411 1.630 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001265702744 944474278 /nfs/dbraw/zinc/47/42/78/944474278.db2.gz HJIYSLFMOUJTCO-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265981628 944613952 /nfs/dbraw/zinc/61/39/52/944613952.db2.gz YVSDSQCQECKIBL-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C=CC[N@H+](C)CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001265981628 944613958 /nfs/dbraw/zinc/61/39/58/944613958.db2.gz YVSDSQCQECKIBL-INIZCTEOSA-N 2 1 289.423 1.913 10 30 CDEEMP C#CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001266103499 944683240 /nfs/dbraw/zinc/68/32/40/944683240.db2.gz RNRUHRBISHSXLF-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001266103499 944683242 /nfs/dbraw/zinc/68/32/42/944683242.db2.gz RNRUHRBISHSXLF-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001266103499 944683245 /nfs/dbraw/zinc/68/32/45/944683245.db2.gz RNRUHRBISHSXLF-MRXNPFEDSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266154838 944721590 /nfs/dbraw/zinc/72/15/90/944721590.db2.gz HEDIUFLLGNSCDS-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=CC[NH2+][C@@H](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001266192056 944742606 /nfs/dbraw/zinc/74/26/06/944742606.db2.gz PVKRBPLCVRBXEP-GOEBONIOSA-N 2 1 289.423 1.960 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001479846818 971451520 /nfs/dbraw/zinc/45/15/20/971451520.db2.gz CIMDPMQPGGNYRI-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479846818 971451528 /nfs/dbraw/zinc/45/15/28/971451528.db2.gz CIMDPMQPGGNYRI-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001479846818 971451532 /nfs/dbraw/zinc/45/15/32/971451532.db2.gz CIMDPMQPGGNYRI-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001568998002 1169587143 /nfs/dbraw/zinc/58/71/43/1169587143.db2.gz RNJIIGSJHPUGGR-OLZOCXBDSA-N 2 1 253.390 1.141 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001569004825 1169589440 /nfs/dbraw/zinc/58/94/40/1169589440.db2.gz SEOOCWHXRCJPJN-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C=CCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001480324078 971671607 /nfs/dbraw/zinc/67/16/07/971671607.db2.gz FGAYYJSINLULBY-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480324078 971671609 /nfs/dbraw/zinc/67/16/09/971671609.db2.gz FGAYYJSINLULBY-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001480324078 971671612 /nfs/dbraw/zinc/67/16/12/971671612.db2.gz FGAYYJSINLULBY-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC/C=C\CC ZINC001480480445 971747872 /nfs/dbraw/zinc/74/78/72/971747872.db2.gz RJRFJMNKRVAGPH-UWUBPMADSA-N 2 1 291.439 1.535 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC/C=C\CC ZINC001480480445 971747879 /nfs/dbraw/zinc/74/78/79/971747879.db2.gz RJRFJMNKRVAGPH-UWUBPMADSA-N 2 1 291.439 1.535 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689596 951722040 /nfs/dbraw/zinc/72/20/40/951722040.db2.gz FIIMMISBSKETKK-CABCVRRESA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569118682 1169664613 /nfs/dbraw/zinc/66/46/13/1169664613.db2.gz UUEALXCXCRBRSM-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001569118682 1169664616 /nfs/dbraw/zinc/66/46/16/1169664616.db2.gz UUEALXCXCRBRSM-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001569118682 1169664619 /nfs/dbraw/zinc/66/46/19/1169664619.db2.gz UUEALXCXCRBRSM-SOUVJXGZSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001480616194 971809707 /nfs/dbraw/zinc/80/97/07/971809707.db2.gz IMGWHGLYOWFEED-JKSUJKDBSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+][C@@H](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001480776180 971874566 /nfs/dbraw/zinc/87/45/66/971874566.db2.gz KVVMVEWUUGSVLG-AWEZNQCLSA-N 2 1 293.455 1.757 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001316642465 953705593 /nfs/dbraw/zinc/70/55/93/953705593.db2.gz SISGLOFRLSUCMR-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001325454313 953910936 /nfs/dbraw/zinc/91/09/36/953910936.db2.gz FCFJWFBBVDYXMO-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001329150621 955718994 /nfs/dbraw/zinc/71/89/94/955718994.db2.gz YNNPHKRLBWHEDY-STQMWFEESA-N 2 1 278.400 1.641 10 30 CDEEMP C=CC[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001492251916 955756689 /nfs/dbraw/zinc/75/66/89/955756689.db2.gz AZINFMORYBSLRA-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001492251916 955756699 /nfs/dbraw/zinc/75/66/99/955756699.db2.gz AZINFMORYBSLRA-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC001492251916 955756712 /nfs/dbraw/zinc/75/67/12/955756712.db2.gz AZINFMORYBSLRA-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492303820 955788936 /nfs/dbraw/zinc/78/89/36/955788936.db2.gz PPWSMJXWPVJILA-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001492303820 955788947 /nfs/dbraw/zinc/78/89/47/955788947.db2.gz PPWSMJXWPVJILA-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001492303820 955788961 /nfs/dbraw/zinc/78/89/61/955788961.db2.gz PPWSMJXWPVJILA-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)C(C)C ZINC001493860944 972129053 /nfs/dbraw/zinc/12/90/53/972129053.db2.gz XSJVHIVHIFGBOB-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@@H+]1C)C(C)C ZINC001493860944 972129059 /nfs/dbraw/zinc/12/90/59/972129059.db2.gz XSJVHIVHIFGBOB-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH+](CCCNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001493860944 972129062 /nfs/dbraw/zinc/12/90/62/972129062.db2.gz XSJVHIVHIFGBOB-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001493997699 972157458 /nfs/dbraw/zinc/15/74/58/972157458.db2.gz OLDFUOHUUDRWKT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493997699 972157461 /nfs/dbraw/zinc/15/74/61/972157461.db2.gz OLDFUOHUUDRWKT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493997699 972157465 /nfs/dbraw/zinc/15/74/65/972157465.db2.gz OLDFUOHUUDRWKT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001330325996 956380104 /nfs/dbraw/zinc/38/01/04/956380104.db2.gz DTCVYAGEPZALBD-PHZGNYQRSA-N 2 1 293.455 1.588 10 30 CDEEMP C=CCC[NH+]1CCC[C@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001317510654 956762497 /nfs/dbraw/zinc/76/24/97/956762497.db2.gz RXEPYWWWCGHNJO-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317510654 956762503 /nfs/dbraw/zinc/76/25/03/956762503.db2.gz RXEPYWWWCGHNJO-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001317510654 956762513 /nfs/dbraw/zinc/76/25/13/956762513.db2.gz RXEPYWWWCGHNJO-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316887246 956873825 /nfs/dbraw/zinc/87/38/25/956873825.db2.gz QDIWLMOUWGQIJY-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001316887246 956873830 /nfs/dbraw/zinc/87/38/30/956873830.db2.gz QDIWLMOUWGQIJY-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=C(C)CC[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001316887246 956873844 /nfs/dbraw/zinc/87/38/44/956873844.db2.gz QDIWLMOUWGQIJY-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001316841663 957067465 /nfs/dbraw/zinc/06/74/65/957067465.db2.gz QKIHEDHHKPAXRT-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001316841663 957067474 /nfs/dbraw/zinc/06/74/74/957067474.db2.gz QKIHEDHHKPAXRT-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001316841663 957067490 /nfs/dbraw/zinc/06/74/90/957067490.db2.gz QKIHEDHHKPAXRT-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[N@H+](C)CC)C1 ZINC001317100469 957269321 /nfs/dbraw/zinc/26/93/21/957269321.db2.gz RHWLLTDEOKMGII-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100469 957269328 /nfs/dbraw/zinc/26/93/28/957269328.db2.gz RHWLLTDEOKMGII-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001317100469 957269333 /nfs/dbraw/zinc/26/93/33/957269333.db2.gz RHWLLTDEOKMGII-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001317403879 957456049 /nfs/dbraw/zinc/45/60/49/957456049.db2.gz HKCMQEVWEQBPGG-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C#CCC[NH+]1CCC[C@H]1CCCNC(=O)C[N@H+](C)C(C)C ZINC001317434255 957469029 /nfs/dbraw/zinc/46/90/29/957469029.db2.gz KXUKLJSKPNTQML-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001317434255 957469034 /nfs/dbraw/zinc/46/90/34/957469034.db2.gz KXUKLJSKPNTQML-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C[NH+](C)C(C)C ZINC001317434255 957469041 /nfs/dbraw/zinc/46/90/41/957469041.db2.gz KXUKLJSKPNTQML-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875787 972328155 /nfs/dbraw/zinc/32/81/55/972328155.db2.gz KGQKXQAJTQDAEV-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001319478207 958586421 /nfs/dbraw/zinc/58/64/21/958586421.db2.gz SELXGDKXNNPGAJ-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001495247815 972457295 /nfs/dbraw/zinc/45/72/95/972457295.db2.gz FYWXPJHVIPGDKW-NVXWUHKLSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001529321059 969027223 /nfs/dbraw/zinc/02/72/23/969027223.db2.gz XVMNIUFQBKOSQK-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001529321059 969027234 /nfs/dbraw/zinc/02/72/34/969027234.db2.gz XVMNIUFQBKOSQK-AWEZNQCLSA-N 2 1 291.439 1.463 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1C#N ZINC001464693090 969808103 /nfs/dbraw/zinc/80/81/03/969808103.db2.gz HSBUHVODKOBZRE-RBSFLKMASA-N 2 1 292.427 1.021 10 30 CDEEMP C#CC[NH2+]C[C@@H](CC(C)C)NC(=O)C[N@@H+](C)C(C)C ZINC001496299784 972879841 /nfs/dbraw/zinc/87/98/41/972879841.db2.gz FKUIWOIHZPCBEZ-CQSZACIVSA-N 2 1 267.417 1.080 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001496625562 972997017 /nfs/dbraw/zinc/99/70/17/972997017.db2.gz AZVSHMMWWMZFKJ-GJZGRUSLSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001498289432 973810620 /nfs/dbraw/zinc/81/06/20/973810620.db2.gz RLGZNMXPVAPHOY-MELADBBJSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001498289432 973810633 /nfs/dbraw/zinc/81/06/33/973810633.db2.gz RLGZNMXPVAPHOY-MELADBBJSA-N 2 1 267.417 1.339 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001498289432 973810649 /nfs/dbraw/zinc/81/06/49/973810649.db2.gz RLGZNMXPVAPHOY-MELADBBJSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001498499008 973949801 /nfs/dbraw/zinc/94/98/01/973949801.db2.gz SOZMTAYDYLEQCB-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)CC1 ZINC001502145796 974705738 /nfs/dbraw/zinc/70/57/38/974705738.db2.gz YSVPEFBZSHVNSI-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001502145796 974705744 /nfs/dbraw/zinc/70/57/44/974705744.db2.gz YSVPEFBZSHVNSI-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)CC1 ZINC001502145796 974705750 /nfs/dbraw/zinc/70/57/50/974705750.db2.gz YSVPEFBZSHVNSI-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001502515985 974746413 /nfs/dbraw/zinc/74/64/13/974746413.db2.gz VTBILAODFQCZNJ-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001505962961 975062034 /nfs/dbraw/zinc/06/20/34/975062034.db2.gz GUHOLAGEKJOLQJ-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001505962961 975062037 /nfs/dbraw/zinc/06/20/37/975062037.db2.gz GUHOLAGEKJOLQJ-GFCCVEGCSA-N 2 1 264.373 1.204 10 30 CDEEMP C=CCC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001506865757 975237044 /nfs/dbraw/zinc/23/70/44/975237044.db2.gz MFLVWUCHSHWENR-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001506865757 975237052 /nfs/dbraw/zinc/23/70/52/975237052.db2.gz MFLVWUCHSHWENR-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001506865757 975237057 /nfs/dbraw/zinc/23/70/57/975237057.db2.gz MFLVWUCHSHWENR-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001403023214 976665721 /nfs/dbraw/zinc/66/57/21/976665721.db2.gz PLYIUJQKUMHSDX-NEPJUHHUSA-N 2 1 284.791 1.427 10 30 CDEEMP C=C(Cl)CN1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001399929254 976753705 /nfs/dbraw/zinc/75/37/05/976753705.db2.gz HGJSLWYKKGPUMN-TZMCWYRMSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001399929254 976753717 /nfs/dbraw/zinc/75/37/17/976753717.db2.gz HGJSLWYKKGPUMN-TZMCWYRMSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001399929254 976753723 /nfs/dbraw/zinc/75/37/23/976753723.db2.gz HGJSLWYKKGPUMN-TZMCWYRMSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001399929254 976753730 /nfs/dbraw/zinc/75/37/30/976753730.db2.gz HGJSLWYKKGPUMN-TZMCWYRMSA-N 2 1 299.846 1.519 10 30 CDEEMP C#CC[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC001674735163 1174000710 /nfs/dbraw/zinc/00/07/10/1174000710.db2.gz OFDXFDHFEHPBNL-CHWSQXEVSA-N 2 1 276.384 1.123 10 30 CDEEMP C=CC[NH+]1CCCCC[C@H]1CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001675263222 1174090896 /nfs/dbraw/zinc/09/08/96/1174090896.db2.gz NRBHYFMVCNJFNY-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001676365579 1174215393 /nfs/dbraw/zinc/21/53/93/1174215393.db2.gz YQZHMBKVPSUCNO-AJKRIUKHSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/Cl ZINC001676365579 1174215398 /nfs/dbraw/zinc/21/53/98/1174215398.db2.gz YQZHMBKVPSUCNO-AJKRIUKHSA-N 2 1 297.830 1.273 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001676991709 1174306813 /nfs/dbraw/zinc/30/68/13/1174306813.db2.gz YJIUMPZTPSOYLU-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@H+](CC)CCO1)C(C)C ZINC001571352344 1170379255 /nfs/dbraw/zinc/37/92/55/1170379255.db2.gz IMHJWBQJFHSMGI-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001571352344 1170379262 /nfs/dbraw/zinc/37/92/62/1170379262.db2.gz IMHJWBQJFHSMGI-CABCVRRESA-N 2 1 297.443 1.014 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001656200689 1171791817 /nfs/dbraw/zinc/79/18/17/1171791817.db2.gz HFFKQUPEQFFPBW-YHUYYLMFSA-N 2 1 293.455 1.777 10 30 CDEEMP N#Cc1cnccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000592494258 342696719 /nfs/dbraw/zinc/69/67/19/342696719.db2.gz OIEKELLMSPEWGH-UONOGXRCSA-N 2 1 270.380 1.775 10 30 CDEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N1CCCC1 ZINC000071799776 356964122 /nfs/dbraw/zinc/96/41/22/356964122.db2.gz VBSKXMCCCLQBCH-CQSZACIVSA-N 2 1 282.432 1.014 10 30 CDEEMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@H+](C)CCO1 ZINC000262006359 359121597 /nfs/dbraw/zinc/12/15/97/359121597.db2.gz RPMIGJFTBUJCCV-OAHLLOKOSA-N 2 1 290.411 1.024 10 30 CDEEMP CN(C)C(NCc1ccccc1)=[NH+]C[C@@H]1C[N@@H+](C)CCO1 ZINC000262006359 359121604 /nfs/dbraw/zinc/12/16/04/359121604.db2.gz RPMIGJFTBUJCCV-OAHLLOKOSA-N 2 1 290.411 1.024 10 30 CDEEMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000528475007 367854115 /nfs/dbraw/zinc/85/41/15/367854115.db2.gz JTOGRKQJNIJKRP-UONOGXRCSA-N 2 1 265.401 1.457 10 30 CDEEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCSCC#N)CC1 ZINC000173885588 261172627 /nfs/dbraw/zinc/17/26/27/261172627.db2.gz DUAJSKJCFZYOBB-CQSZACIVSA-N 2 1 299.484 1.658 10 30 CDEEMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc(C#N)cs1 ZINC000352956614 374492154 /nfs/dbraw/zinc/49/21/54/374492154.db2.gz ZRJQIZZNPIXXFU-LBPRGKRZSA-N 2 1 293.440 1.130 10 30 CDEEMP C=CCC[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001662861547 1172604533 /nfs/dbraw/zinc/60/45/33/1172604533.db2.gz BJBVGIACICYWAN-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662861547 1172604538 /nfs/dbraw/zinc/60/45/38/1172604538.db2.gz BJBVGIACICYWAN-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001662861547 1172604544 /nfs/dbraw/zinc/60/45/44/1172604544.db2.gz BJBVGIACICYWAN-HZPDHXFCSA-N 2 1 293.455 1.827 10 30 CDEEMP N#CCCOCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000339002653 391238983 /nfs/dbraw/zinc/23/89/83/391238983.db2.gz ASEGAPGNDSZVMC-CQSZACIVSA-N 2 1 251.374 1.334 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000339002653 391238987 /nfs/dbraw/zinc/23/89/87/391238987.db2.gz ASEGAPGNDSZVMC-CQSZACIVSA-N 2 1 251.374 1.334 10 30 CDEEMP N#CCCOCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000339002652 391239386 /nfs/dbraw/zinc/23/93/86/391239386.db2.gz ASEGAPGNDSZVMC-AWEZNQCLSA-N 2 1 251.374 1.334 10 30 CDEEMP N#CCCOCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000339002652 391239388 /nfs/dbraw/zinc/23/93/88/391239388.db2.gz ASEGAPGNDSZVMC-AWEZNQCLSA-N 2 1 251.374 1.334 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001663548177 1172721817 /nfs/dbraw/zinc/72/18/17/1172721817.db2.gz PETRGWFCXGHPML-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CC[N@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001664686337 1172885239 /nfs/dbraw/zinc/88/52/39/1172885239.db2.gz JOVLCEWUHIQBQT-HNNXBMFYSA-N 2 1 289.423 1.028 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001664686337 1172885243 /nfs/dbraw/zinc/88/52/43/1172885243.db2.gz JOVLCEWUHIQBQT-HNNXBMFYSA-N 2 1 289.423 1.028 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662680153 413298569 /nfs/dbraw/zinc/29/85/69/413298569.db2.gz GLRYBMAETVXHGV-GDBMZVCRSA-N 2 1 279.428 1.533 10 30 CDEEMP CC[NH+](CC)CC#C[C@@H](CN1CCCC1)[NH+]1CCCC1 ZINC000022035592 171350279 /nfs/dbraw/zinc/35/02/79/171350279.db2.gz DKMIWYRCPXRAJT-KRWDZBQOSA-N 2 1 277.456 1.892 10 30 CDEEMP C=C(C)CCNC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665020551 413792457 /nfs/dbraw/zinc/79/24/57/413792457.db2.gz NELFMOYBKSAKLB-AWEZNQCLSA-N 2 1 284.448 1.524 10 30 CDEEMP C=C(C)CCNC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665020551 413792466 /nfs/dbraw/zinc/79/24/66/413792466.db2.gz NELFMOYBKSAKLB-AWEZNQCLSA-N 2 1 284.448 1.524 10 30 CDEEMP CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689059 175095462 /nfs/dbraw/zinc/09/54/62/175095462.db2.gz AQKFUMQXJYNPCC-AWEZNQCLSA-N 2 1 291.420 1.159 10 30 CDEEMP CNC(=O)[C@@H]1CCCC[N@H+]1Cc1cc(C#CC[NH3+])cs1 ZINC000043689059 175095463 /nfs/dbraw/zinc/09/54/63/175095463.db2.gz AQKFUMQXJYNPCC-AWEZNQCLSA-N 2 1 291.420 1.159 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000043689004 175095753 /nfs/dbraw/zinc/09/57/53/175095753.db2.gz ZHQYUITUKGSNHJ-GFCCVEGCSA-N 2 1 250.367 1.015 10 30 CDEEMP N#Cc1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044531163 175195677 /nfs/dbraw/zinc/19/56/77/175195677.db2.gz JOTWWMYYIXKYJC-CQSZACIVSA-N 2 1 286.379 1.558 10 30 CDEEMP C[N@@H+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189125 176064759 /nfs/dbraw/zinc/06/47/59/176064759.db2.gz ZLZYWKLWKXPGBS-OAHLLOKOSA-N 2 1 273.380 1.821 10 30 CDEEMP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189125 176064760 /nfs/dbraw/zinc/06/47/60/176064760.db2.gz ZLZYWKLWKXPGBS-OAHLLOKOSA-N 2 1 273.380 1.821 10 30 CDEEMP C[NH+](CCOc1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189125 176064761 /nfs/dbraw/zinc/06/47/61/176064761.db2.gz ZLZYWKLWKXPGBS-OAHLLOKOSA-N 2 1 273.380 1.821 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001666551941 1173150320 /nfs/dbraw/zinc/15/03/20/1173150320.db2.gz AKJXKDMRMUFROI-RRFJBIMHSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@@H]2CC[N@H+](C3CC3)C2)CCC[NH2+]1 ZINC000662682237 424312393 /nfs/dbraw/zinc/31/23/93/424312393.db2.gz OXSRYXBJNPTEFX-XJKSGUPXSA-N 2 1 277.412 1.285 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001667306254 1173251848 /nfs/dbraw/zinc/25/18/48/1173251848.db2.gz AWTOFMWAAIDJQI-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](F)C[NH+](CC)CC)C1 ZINC001671648428 1173700155 /nfs/dbraw/zinc/70/01/55/1173700155.db2.gz HHTJWKZXBSLFLP-ZBFHGGJFSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001672562653 1173783771 /nfs/dbraw/zinc/78/37/71/1173783771.db2.gz CJVHYOXLWYZTEO-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001673491077 1173863970 /nfs/dbraw/zinc/86/39/70/1173863970.db2.gz AIHVOMJQNOZFOT-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C#CCC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001673491077 1173863974 /nfs/dbraw/zinc/86/39/74/1173863974.db2.gz AIHVOMJQNOZFOT-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001673491077 1173863977 /nfs/dbraw/zinc/86/39/77/1173863977.db2.gz AIHVOMJQNOZFOT-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)N2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000171907754 329081991 /nfs/dbraw/zinc/08/19/91/329081991.db2.gz XDPXEHJPNPFVIX-HNNXBMFYSA-N 2 1 292.427 1.126 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262454756 330014212 /nfs/dbraw/zinc/01/42/12/330014212.db2.gz KUQMDBZUNKOAMG-KGLIPLIRSA-N 2 1 282.432 1.142 10 30 CDEEMP C=CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000263288527 330051800 /nfs/dbraw/zinc/05/18/00/330051800.db2.gz VKJXHNHRTGXOHQ-GXTWGEPZSA-N 2 1 296.798 1.575 10 30 CDEEMP C[NH+](C)CCCN(CCC#N)C(=O)C[NH+]1CC(C)(C)C1 ZINC000579609863 335821852 /nfs/dbraw/zinc/82/18/52/335821852.db2.gz KRJSPIMHIVZXEQ-UHFFFAOYSA-N 2 1 280.416 1.022 10 30 CDEEMP C=C(Cl)C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001267386808 1159359674 /nfs/dbraw/zinc/35/96/74/1159359674.db2.gz VWLOUOAWIHMOIV-CYBMUJFWSA-N 2 1 287.835 1.661 10 30 CDEEMP C=C(C)[C@@H](CO)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000678049971 482910459 /nfs/dbraw/zinc/91/04/59/482910459.db2.gz RNJSTEUPGYYKBV-OAHLLOKOSA-N 2 1 254.418 1.976 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001712975691 1178281175 /nfs/dbraw/zinc/28/11/75/1178281175.db2.gz KLTRVCCOJIRLRO-UHFFFAOYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001691691726 1161570680 /nfs/dbraw/zinc/57/06/80/1161570680.db2.gz CXGZLCBYKNZVEI-CQSZACIVSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001717487618 1180703075 /nfs/dbraw/zinc/70/30/75/1180703075.db2.gz UPIYBWBWQIBHNZ-ZIAGYGMSSA-N 2 1 269.433 1.585 10 30 CDEEMP CC[N@@H+](CCOC)Cc1ccc(F)cc1C#CC[NH3+] ZINC000049609724 521135112 /nfs/dbraw/zinc/13/51/12/521135112.db2.gz MPNONJKWYZFZBY-UHFFFAOYSA-N 2 1 264.344 1.604 10 30 CDEEMP COC[C@H](C)[N@@H+](C)CCOc1ccc(C#CC[NH3+])cc1 ZINC000049609568 522593714 /nfs/dbraw/zinc/59/37/14/522593714.db2.gz CLNQJILKAAAKDB-AWEZNQCLSA-N 2 1 276.380 1.342 10 30 CDEEMP COCC[N@@H+](Cc1ccccc1C#CC[NH3+])C1CC1 ZINC000049609701 523757429 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10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001566939624 1168475362 /nfs/dbraw/zinc/47/53/62/1168475362.db2.gz IBXGJSFPOWKHSH-MRXNPFEDSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+][C@H]1CCC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001567177653 1168607691 /nfs/dbraw/zinc/60/76/91/1168607691.db2.gz GCLREAOVSIZKRJ-GJZGRUSLSA-N 2 1 290.411 1.785 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001649445257 1169255571 /nfs/dbraw/zinc/25/55/71/1169255571.db2.gz JPHMCEAJHWNWIJ-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC=C ZINC001569121620 1169668503 /nfs/dbraw/zinc/66/85/03/1169668503.db2.gz LYNWLEUSEYCISL-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC=C ZINC001569121620 1169668507 /nfs/dbraw/zinc/66/85/07/1169668507.db2.gz LYNWLEUSEYCISL-GJZGRUSLSA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC=C ZINC001569121620 1169668510 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CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001570540224 1170183438 /nfs/dbraw/zinc/18/34/38/1170183438.db2.gz MGNALFNKNRRFAJ-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001570540224 1170183442 /nfs/dbraw/zinc/18/34/42/1170183442.db2.gz MGNALFNKNRRFAJ-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@H+](CC)CCO1)C(C)C ZINC001571352345 1170379192 /nfs/dbraw/zinc/37/91/92/1170379192.db2.gz IMHJWBQJFHSMGI-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+][C@H](CCNC(=O)[C@H]1C[N@@H+](CC)CCO1)C(C)C ZINC001571352345 1170379197 /nfs/dbraw/zinc/37/91/97/1170379197.db2.gz IMHJWBQJFHSMGI-HUUCEWRRSA-N 2 1 297.443 1.014 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001571536275 1170469554 /nfs/dbraw/zinc/46/95/54/1170469554.db2.gz MUQOZNCFQPEDRI-ZIAGYGMSSA-N 2 1 279.428 1.531 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001656452175 1171825876 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C=CCCC[N@H+](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001716032405 1180007309 /nfs/dbraw/zinc/00/73/09/1180007309.db2.gz LWJSLJCORFGSRT-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001716670086 1180355566 /nfs/dbraw/zinc/35/55/66/1180355566.db2.gz APISBLNKZAAHQF-CQSZACIVSA-N 2 1 265.401 1.239 10 30 CDEEMP C#CC[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716873897 1180449173 /nfs/dbraw/zinc/44/91/73/1180449173.db2.gz CIBBVSSDIGRDNW-KRWDZBQOSA-N 2 1 293.455 1.426 10 30 CDEEMP CC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)CCC1 ZINC001717149842 1180549194 /nfs/dbraw/zinc/54/91/94/1180549194.db2.gz DRGPPYIHFIBWOT-OAHLLOKOSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CCC1 ZINC001717152750 1180550935 /nfs/dbraw/zinc/55/09/35/1180550935.db2.gz HKVKATPPLFSDBW-CQSZACIVSA-N 2 1 277.412 1.123 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001717420255 1180661957 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10 30 CDEEMP C#CCC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H]1C ZINC001717862048 1180900564 /nfs/dbraw/zinc/90/05/64/1180900564.db2.gz DZMQHDSEVLHSAH-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001717862048 1180900567 /nfs/dbraw/zinc/90/05/67/1180900567.db2.gz DZMQHDSEVLHSAH-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H]1C ZINC001717862048 1180900571 /nfs/dbraw/zinc/90/05/71/1180900571.db2.gz DZMQHDSEVLHSAH-GJZGRUSLSA-N 2 1 279.428 1.319 10 30 CDEEMP C=CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001717995716 1180962354 /nfs/dbraw/zinc/96/23/54/1180962354.db2.gz XSTNZDAKARGWCT-FXQLRMTLSA-N 2 1 293.455 1.872 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1CC ZINC001723384342 1181545878 /nfs/dbraw/zinc/54/58/78/1181545878.db2.gz ICWRCNOISDWKLJ-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001725134587 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C=C(C)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001268347772 901909862 /nfs/dbraw/zinc/90/98/62/901909862.db2.gz DYRAMUDCPRRSGC-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001481741000 901985382 /nfs/dbraw/zinc/98/53/82/901985382.db2.gz HKSPZWQFFGVDBC-HZPDHXFCSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481775389 902115384 /nfs/dbraw/zinc/11/53/84/902115384.db2.gz UYAMRGDIQRUVOS-CYBMUJFWSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001482066694 902596736 /nfs/dbraw/zinc/59/67/36/902596736.db2.gz FOJXQMMJSOBLRJ-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+](C)C[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001268756973 903096455 /nfs/dbraw/zinc/09/64/55/903096455.db2.gz PKXBKAOBMUVBKG-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001269812439 904129779 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C#CCC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473799 917681146 /nfs/dbraw/zinc/68/11/46/917681146.db2.gz CIAIAMZLESPVBP-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001273473799 917681157 /nfs/dbraw/zinc/68/11/57/917681157.db2.gz CIAIAMZLESPVBP-HNNXBMFYSA-N 2 1 279.428 1.321 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568274380 1169217908 /nfs/dbraw/zinc/21/79/08/1169217908.db2.gz UUFREGFCWINTGA-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)Cn1cncc1C ZINC001273535074 920374660 /nfs/dbraw/zinc/37/46/60/920374660.db2.gz QPDBGVCEWWVNKP-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=CC[N@@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001273535074 920374672 /nfs/dbraw/zinc/37/46/72/920374672.db2.gz QPDBGVCEWWVNKP-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001273535074 920374686 /nfs/dbraw/zinc/37/46/86/920374686.db2.gz QPDBGVCEWWVNKP-UHFFFAOYSA-N 2 1 264.373 1.158 10 30 CDEEMP CC#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001485874271 920540578 /nfs/dbraw/zinc/54/05/78/920540578.db2.gz VRLVYZQRVREZBY-HUUCEWRRSA-N 2 1 279.428 1.319 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001273561057 921017713 /nfs/dbraw/zinc/01/77/13/921017713.db2.gz UOLXGKDBAYPLHZ-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001273561057 921017726 /nfs/dbraw/zinc/01/77/26/921017726.db2.gz UOLXGKDBAYPLHZ-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001273561057 921017736 /nfs/dbraw/zinc/01/77/36/921017736.db2.gz UOLXGKDBAYPLHZ-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001490933657 936833723 /nfs/dbraw/zinc/83/37/23/936833723.db2.gz ITGSTOAXSUINPV-VGWMRTNUSA-N 2 1 289.423 1.263 10 30 CDEEMP C=CCN1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488662840 926653667 /nfs/dbraw/zinc/65/36/67/926653667.db2.gz MHMVEPPTPFEBJD-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001488662840 926653672 /nfs/dbraw/zinc/65/36/72/926653672.db2.gz MHMVEPPTPFEBJD-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@H]1CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001488662840 926653678 /nfs/dbraw/zinc/65/36/78/926653678.db2.gz MHMVEPPTPFEBJD-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001488662840 926653688 /nfs/dbraw/zinc/65/36/88/926653688.db2.gz MHMVEPPTPFEBJD-KBPBESRZSA-N 2 1 265.401 1.047 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001488701935 926675326 /nfs/dbraw/zinc/67/53/26/926675326.db2.gz GREOTKRLQVDXBV-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+]1CCCC1 ZINC001488701935 926675330 /nfs/dbraw/zinc/67/53/30/926675330.db2.gz GREOTKRLQVDXBV-MRXNPFEDSA-N 2 1 291.439 1.418 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001489208710 926827165 /nfs/dbraw/zinc/82/71/65/926827165.db2.gz ZXZMKWISISJCMS-CVEARBPZSA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C1 ZINC001489208710 926827174 /nfs/dbraw/zinc/82/71/74/926827174.db2.gz ZXZMKWISISJCMS-CVEARBPZSA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]2C1 ZINC001489208710 926827183 /nfs/dbraw/zinc/82/71/83/926827183.db2.gz ZXZMKWISISJCMS-CVEARBPZSA-N 2 1 291.439 1.130 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001489350060 926879782 /nfs/dbraw/zinc/87/97/82/926879782.db2.gz NXQRWSMPQKNOSE-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001490440095 927160569 /nfs/dbraw/zinc/16/05/69/927160569.db2.gz JOMCJXZEZZASIX-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490777855 927340486 /nfs/dbraw/zinc/34/04/86/927340486.db2.gz TUHRAUXVJUBNKY-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490777855 927340500 /nfs/dbraw/zinc/34/05/00/927340500.db2.gz TUHRAUXVJUBNKY-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490777855 927340515 /nfs/dbraw/zinc/34/05/15/927340515.db2.gz TUHRAUXVJUBNKY-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001490776829 927344351 /nfs/dbraw/zinc/34/43/51/927344351.db2.gz KZVBFKAXGKIQHH-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001490776829 927344362 /nfs/dbraw/zinc/34/43/62/927344362.db2.gz KZVBFKAXGKIQHH-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490776829 927344377 /nfs/dbraw/zinc/34/43/77/927344377.db2.gz KZVBFKAXGKIQHH-JKSUJKDBSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001274104251 931171394 /nfs/dbraw/zinc/17/13/94/931171394.db2.gz AVZXKTJKSGEOCM-IYKSTZQJSA-N 2 1 277.412 1.146 10 30 CDEEMP C#CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)C(C)C ZINC001319917173 931490917 /nfs/dbraw/zinc/49/09/17/931490917.db2.gz KJBQQQKUNXCXLZ-CABCVRRESA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001274632669 931526081 /nfs/dbraw/zinc/52/60/81/931526081.db2.gz AXJXAOXYCDPAOB-GJZGRUSLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001274632669 931526087 /nfs/dbraw/zinc/52/60/87/931526087.db2.gz AXJXAOXYCDPAOB-GJZGRUSLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001274632669 931526093 /nfs/dbraw/zinc/52/60/93/931526093.db2.gz AXJXAOXYCDPAOB-GJZGRUSLSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@H]1C ZINC001274632668 931526445 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CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001317535928 957534014 /nfs/dbraw/zinc/53/40/14/957534014.db2.gz KVYVSKYNFRCDFW-AWEZNQCLSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001494828284 972318431 /nfs/dbraw/zinc/31/84/31/972318431.db2.gz CMCQUBOTLKGPIY-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001494828284 972318437 /nfs/dbraw/zinc/31/84/37/972318437.db2.gz CMCQUBOTLKGPIY-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(C)C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001494828284 972318442 /nfs/dbraw/zinc/31/84/42/972318442.db2.gz CMCQUBOTLKGPIY-JKSUJKDBSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(CC)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001318482001 958126110 /nfs/dbraw/zinc/12/61/10/958126110.db2.gz DSGVXNKFTKCJKU-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001494985744 972364423 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C=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001480277069 967259789 /nfs/dbraw/zinc/25/97/89/967259789.db2.gz RGPMGKFLGWXJBP-KGLIPLIRSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001480474346 967953289 /nfs/dbraw/zinc/95/32/89/967953289.db2.gz YPDDODDVSWKOEQ-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP N#C[C@H]1CC[C@@H]([NH+]2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC001460775779 969542198 /nfs/dbraw/zinc/54/21/98/969542198.db2.gz GJPWZTUBKMSWOV-XJKSGUPXSA-N 2 1 277.412 1.912 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC001461991243 969659697 /nfs/dbraw/zinc/65/96/97/969659697.db2.gz BHEIDVZKJKMBKP-HOCLYGCPSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001497615423 973436717 /nfs/dbraw/zinc/43/67/17/973436717.db2.gz MLRUEBMQXRLXOP-PSKZRQQASA-N 2 1 265.401 1.309 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497831432 973542528 /nfs/dbraw/zinc/54/25/28/973542528.db2.gz LLCGCDUKJHCBHZ-ZIAGYGMSSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498636373 974006299 /nfs/dbraw/zinc/00/62/99/974006299.db2.gz BYNRDTOXTPVQNR-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)CCC ZINC001499105964 974186722 /nfs/dbraw/zinc/18/67/22/974186722.db2.gz CMLNSSQTTVRVHQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001499105964 974186723 /nfs/dbraw/zinc/18/67/23/974186723.db2.gz CMLNSSQTTVRVHQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)CCC ZINC001499105964 974186726 /nfs/dbraw/zinc/18/67/26/974186726.db2.gz CMLNSSQTTVRVHQ-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP CC#CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001502515986 974746102 /nfs/dbraw/zinc/74/61/02/974746102.db2.gz VTBILAODFQCZNJ-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@H]1C ZINC001502968106 974804454 /nfs/dbraw/zinc/80/44/54/974804454.db2.gz KXOBEIGRPNUEPJ-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001506935207 975266170 /nfs/dbraw/zinc/26/61/70/975266170.db2.gz GIRSRGOFLKPHSA-ILXRZTDVSA-N 2 1 279.428 1.224 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001507126713 975346787 /nfs/dbraw/zinc/34/67/87/975346787.db2.gz BDZKXWZOSXBTJS-AWEZNQCLSA-N 2 1 290.411 1.466 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001401222349 975528748 /nfs/dbraw/zinc/52/87/48/975528748.db2.gz HPYAWTHQDWAKRL-NSHDSACASA-N 2 1 284.791 1.381 10 30 CDEEMP C#CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001508021151 975577543 /nfs/dbraw/zinc/57/75/43/975577543.db2.gz GWFVIFKLFDEIIX-ZIAGYGMSSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001391867559 977120961 /nfs/dbraw/zinc/12/09/61/977120961.db2.gz USIGGTQFIOXLIE-CYBMUJFWSA-N 2 1 287.835 1.660 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001674204413 1173924982 /nfs/dbraw/zinc/92/49/82/1173924982.db2.gz TUNNTCLVNJQBOV-LBPRGKRZSA-N 2 1 294.399 1.410 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001674393021 1173938458 /nfs/dbraw/zinc/93/84/58/1173938458.db2.gz JABUMPBQGAMAKK-JYJNAYRXSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001675055173 1174070455 /nfs/dbraw/zinc/07/04/55/1174070455.db2.gz YGIVXTIRFMNXRN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001675055173 1174070459 /nfs/dbraw/zinc/07/04/59/1174070459.db2.gz YGIVXTIRFMNXRN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001675055173 1174070465 /nfs/dbraw/zinc/07/04/65/1174070465.db2.gz YGIVXTIRFMNXRN-HUUCEWRRSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001676754600 1174267112 /nfs/dbraw/zinc/26/71/12/1174267112.db2.gz GHNHGQNRAAMYEH-UONOGXRCSA-N 2 1 279.428 1.177 10 30 CDEEMP C=C(C)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001570720396 1170252784 /nfs/dbraw/zinc/25/27/84/1170252784.db2.gz RBGSHRRFCJAWJL-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001570720396 1170252790 /nfs/dbraw/zinc/25/27/90/1170252790.db2.gz RBGSHRRFCJAWJL-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001570720396 1170252793 /nfs/dbraw/zinc/25/27/93/1170252793.db2.gz RBGSHRRFCJAWJL-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCNC(=O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC001652019415 1171388466 /nfs/dbraw/zinc/38/84/66/1171388466.db2.gz WGQLEODDBJVBRF-HOCLYGCPSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656098025 1171766776 /nfs/dbraw/zinc/76/67/76/1171766776.db2.gz QIVVJUSHWVEBEJ-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCCC1 ZINC001656109367 1171769753 /nfs/dbraw/zinc/76/97/53/1171769753.db2.gz JFYVYYKKGYZHAT-HOTGVXAUSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[C@@H]1CC[N@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000625701312 342194246 /nfs/dbraw/zinc/19/42/46/342194246.db2.gz IQSXYCIEHGTAJU-CQSZACIVSA-N 2 1 265.401 1.049 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000625701312 342194247 /nfs/dbraw/zinc/19/42/47/342194247.db2.gz IQSXYCIEHGTAJU-CQSZACIVSA-N 2 1 265.401 1.049 10 30 CDEEMP C=CC[C@@H]1CC[N@H+](CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000625701312 342194248 /nfs/dbraw/zinc/19/42/48/342194248.db2.gz IQSXYCIEHGTAJU-CQSZACIVSA-N 2 1 265.401 1.049 10 30 CDEEMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCCCC#N)CC[N@H+]1C ZINC000594437390 342905843 /nfs/dbraw/zinc/90/58/43/342905843.db2.gz BQZMJVUBGZMKCG-RDBSUJKOSA-N 2 1 280.416 1.339 10 30 CDEEMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594441300 342907532 /nfs/dbraw/zinc/90/75/32/342907532.db2.gz QPNGPHKHUIYCNY-KBPBESRZSA-N 2 1 280.416 1.244 10 30 CDEEMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(C(C)(C)C#N)cc1 ZINC000594505540 342914823 /nfs/dbraw/zinc/91/48/23/342914823.db2.gz SSPABTXTBLXCAC-KRWDZBQOSA-N 2 1 289.423 1.890 10 30 CDEEMP CC(C)[C@@](C)(C#N)NC(=O)CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246491314 360866471 /nfs/dbraw/zinc/86/64/71/360866471.db2.gz AOKZQNIXUKJQHW-IIAWOOMASA-N 2 1 294.443 1.455 10 30 CDEEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399988 367827642 /nfs/dbraw/zinc/82/76/42/367827642.db2.gz MIKXKUZYXLFUQS-LSDHHAIUSA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399988 367827646 /nfs/dbraw/zinc/82/76/46/367827646.db2.gz MIKXKUZYXLFUQS-LSDHHAIUSA-N 2 1 279.428 1.705 10 30 CDEEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399988 367827650 /nfs/dbraw/zinc/82/76/50/367827650.db2.gz MIKXKUZYXLFUQS-LSDHHAIUSA-N 2 1 279.428 1.705 10 30 CDEEMP C=CCC[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001663288906 1172667848 /nfs/dbraw/zinc/66/78/48/1172667848.db2.gz WRZMAIPCUNRZMA-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001663288906 1172667852 /nfs/dbraw/zinc/66/78/52/1172667852.db2.gz WRZMAIPCUNRZMA-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001663288906 1172667855 /nfs/dbraw/zinc/66/78/55/1172667855.db2.gz WRZMAIPCUNRZMA-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+]CCN(C)C(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001664185819 1172821247 /nfs/dbraw/zinc/82/12/47/1172821247.db2.gz DEKBOWHXXKXXMO-INIZCTEOSA-N 2 1 299.434 1.823 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662690869 413319763 /nfs/dbraw/zinc/31/97/63/413319763.db2.gz CGHSXKNHPITEPV-HOCLYGCPSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[C@]1(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000662729794 413393662 /nfs/dbraw/zinc/39/36/62/413393662.db2.gz XNKISAWNGCNFPD-NVXWUHKLSA-N 2 1 293.455 1.779 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[NH+](C3CCC3)CC2)CCC[NH2+]1 ZINC000662731386 413395786 /nfs/dbraw/zinc/39/57/86/413395786.db2.gz DRCPCKCXNLAPHI-INIZCTEOSA-N 2 1 277.412 1.381 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001665570043 1173013587 /nfs/dbraw/zinc/01/35/87/1173013587.db2.gz QQTGFOCTCPNOOQ-LSDHHAIUSA-N 2 1 293.455 1.873 10 30 CDEEMP CC[N@@H+](Cc1cc(C#CC[NH3+])cs1)[C@@H](C)COC ZINC000043689129 175096257 /nfs/dbraw/zinc/09/62/57/175096257.db2.gz AIBFWEHUAGAFIN-LBPRGKRZSA-N 2 1 266.410 1.915 10 30 CDEEMP C[N@H+](Cc1ccc(C#CCO)cc1)C[C@H]1CC[NH+](C)C1 ZINC000071190497 176067106 /nfs/dbraw/zinc/06/71/06/176067106.db2.gz OLZMATALTUUUSI-KRWDZBQOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000071190497 176067108 /nfs/dbraw/zinc/06/71/08/176067108.db2.gz OLZMATALTUUUSI-KRWDZBQOSA-N 2 1 272.392 1.414 10 30 CDEEMP C[NH+](Cc1ccc(C#CCO)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000071190497 176067109 /nfs/dbraw/zinc/06/71/09/176067109.db2.gz OLZMATALTUUUSI-KRWDZBQOSA-N 2 1 272.392 1.414 10 30 CDEEMP C=C(C)C[NH2+]C[C@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001666011635 1173099982 /nfs/dbraw/zinc/09/99/82/1173099982.db2.gz LBKCFMCXLGPFGZ-INIZCTEOSA-N 2 1 290.411 1.642 10 30 CDEEMP O=C(NCC1CC[NH+](CCO)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000330336060 228155279 /nfs/dbraw/zinc/15/52/79/228155279.db2.gz ZHZDOTKMXKCHHC-HNNXBMFYSA-N 2 1 295.427 1.274 10 30 CDEEMP C[NH+](CC#CC[N@H+](C)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000341901021 263367363 /nfs/dbraw/zinc/36/73/63/263367363.db2.gz JRBWJTHACNONDY-HOTGVXAUSA-N 2 1 280.412 1.211 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CC)CC[C@@H]21 ZINC001667694078 1173311533 /nfs/dbraw/zinc/31/15/33/1173311533.db2.gz LOPLANZKKDGSED-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667694078 1173311539 /nfs/dbraw/zinc/31/15/39/1173311539.db2.gz LOPLANZKKDGSED-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CC)CC[C@@H]21 ZINC001667694078 1173311547 /nfs/dbraw/zinc/31/15/47/1173311547.db2.gz LOPLANZKKDGSED-HOTGVXAUSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001669381982 1173543953 /nfs/dbraw/zinc/54/39/53/1173543953.db2.gz VHHSVMYZTNCXOU-KGLIPLIRSA-N 2 1 267.417 1.389 10 30 CDEEMP C#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001671648372 1173699792 /nfs/dbraw/zinc/69/97/92/1173699792.db2.gz GSCRVLQRLGBNEE-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671648372 1173699795 /nfs/dbraw/zinc/69/97/95/1173699795.db2.gz GSCRVLQRLGBNEE-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001671648372 1173699797 /nfs/dbraw/zinc/69/97/97/1173699797.db2.gz GSCRVLQRLGBNEE-GOEBONIOSA-N 2 1 277.412 1.075 10 30 CDEEMP C=C(C)C[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000422979707 330162614 /nfs/dbraw/zinc/16/26/14/330162614.db2.gz NLNJRGNGMMUREM-IRXDYDNUSA-N 2 1 293.455 1.384 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001267280526 1159232509 /nfs/dbraw/zinc/23/25/09/1159232509.db2.gz UEDNBIGPAGKMCG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267280526 1159232513 /nfs/dbraw/zinc/23/25/13/1159232513.db2.gz UEDNBIGPAGKMCG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001267280526 1159232518 /nfs/dbraw/zinc/23/25/18/1159232518.db2.gz UEDNBIGPAGKMCG-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC1CC[NH+](C)CC1 ZINC001700476029 1176964924 /nfs/dbraw/zinc/96/49/24/1176964924.db2.gz HTDHHTPQXQEHNU-AWEZNQCLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=CC[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483227239 1160812640 /nfs/dbraw/zinc/81/26/40/1160812640.db2.gz XYTMRPHMCWWMRA-QWHCGFSZSA-N 2 1 253.390 1.140 10 30 CDEEMP C#CC[NH+]1CCC[C@@]2(CCN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001671044444 1161412141 /nfs/dbraw/zinc/41/21/41/1161412141.db2.gz HJRIBAKGLIEARN-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001671044444 1161412143 /nfs/dbraw/zinc/41/21/43/1161412143.db2.gz HJRIBAKGLIEARN-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001671044444 1161412145 /nfs/dbraw/zinc/41/21/45/1161412145.db2.gz HJRIBAKGLIEARN-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653920 1180338824 /nfs/dbraw/zinc/33/88/24/1180338824.db2.gz RLFDEBVAEVFNPK-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653920 1180338833 /nfs/dbraw/zinc/33/88/33/1180338833.db2.gz RLFDEBVAEVFNPK-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653920 1180338841 /nfs/dbraw/zinc/33/88/41/1180338841.db2.gz RLFDEBVAEVFNPK-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653920 1180338849 /nfs/dbraw/zinc/33/88/49/1180338849.db2.gz RLFDEBVAEVFNPK-CQSZACIVSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001733768301 1183525682 /nfs/dbraw/zinc/52/56/82/1183525682.db2.gz GTYBAAZQMPDLKL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001733768301 1183525683 /nfs/dbraw/zinc/52/56/83/1183525683.db2.gz GTYBAAZQMPDLKL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001733768301 1183525684 /nfs/dbraw/zinc/52/56/84/1183525684.db2.gz GTYBAAZQMPDLKL-ZDUSSCGKSA-N 2 1 253.390 1.047 10 30 CDEEMP C=CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001734290940 1183714824 /nfs/dbraw/zinc/71/48/24/1183714824.db2.gz UFRFCIVVTMAINS-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C[C@H]1CCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049608289 524120203 /nfs/dbraw/zinc/12/02/03/524120203.db2.gz NUJPNNIDQDBEPT-AWEZNQCLSA-N 2 1 258.365 1.860 10 30 CDEEMP [NH3+]CC#Cc1ccc(C[N@H+]2CCCC[C@H]2CCO)c(F)c1 ZINC000049608681 527148324 /nfs/dbraw/zinc/14/83/24/527148324.db2.gz NDGMLHRWPWPNKR-INIZCTEOSA-N 2 1 290.382 1.873 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001689259827 1175131098 /nfs/dbraw/zinc/13/10/98/1175131098.db2.gz PGNSPBADJUDELY-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001690281704 1175423575 /nfs/dbraw/zinc/42/35/75/1175423575.db2.gz HGGHAMDLXLBXTL-BZUAXINKSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CC[N@H+](C)CCCNCc1cc(C(=O)OC)oc1C ZINC000894863822 619107367 /nfs/dbraw/zinc/10/73/67/619107367.db2.gz WBDLVIWBAJGLQI-UHFFFAOYSA-N 2 1 278.352 1.419 10 30 CDEEMP C#CCN(C)CCC[NH2+]Cc1cc(C(=O)OC)oc1C ZINC000894863822 619107369 /nfs/dbraw/zinc/10/73/69/619107369.db2.gz WBDLVIWBAJGLQI-UHFFFAOYSA-N 2 1 278.352 1.419 10 30 CDEEMP C#CC[N@@H+](C)CCCNCc1cnc2onc(C)c2c1 ZINC000894863625 619107443 /nfs/dbraw/zinc/10/74/43/619107443.db2.gz OBNNQESKSDNQID-UHFFFAOYSA-N 2 1 272.352 1.576 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000900307455 622877804 /nfs/dbraw/zinc/87/78/04/622877804.db2.gz JGMSKBQTARAHQA-CYBMUJFWSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@]1(C)CCCCO1 ZINC000902953777 625689473 /nfs/dbraw/zinc/68/94/73/625689473.db2.gz JYRRSHJXAWENEG-GVDBMIGSSA-N 2 1 296.455 1.937 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@]1(C)CCCCO1 ZINC000902953777 625689496 /nfs/dbraw/zinc/68/94/96/625689496.db2.gz JYRRSHJXAWENEG-GVDBMIGSSA-N 2 1 296.455 1.937 10 30 CDEEMP C=CCCC[N@H+](CC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000904471596 626304399 /nfs/dbraw/zinc/30/43/99/626304399.db2.gz JQQXHOJMCJNOBM-CQSZACIVSA-N 2 1 267.417 1.472 10 30 CDEEMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905095002 626636114 /nfs/dbraw/zinc/63/61/14/626636114.db2.gz HCCAASLQYAAYJE-OAHLLOKOSA-N 2 1 282.428 1.283 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000913159419 630380081 /nfs/dbraw/zinc/38/00/81/630380081.db2.gz NCYIYFBBKSQEFB-OAHLLOKOSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000917097833 632147894 /nfs/dbraw/zinc/14/78/94/632147894.db2.gz KLZQDGXJGISNCJ-HIFRSBDPSA-N 2 1 294.443 1.419 10 30 CDEEMP C=CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001670481496 1158617918 /nfs/dbraw/zinc/61/79/18/1158617918.db2.gz YYEIXOBRUIHUFT-HUUCEWRRSA-N 2 1 279.428 1.531 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691046142 1158722703 /nfs/dbraw/zinc/72/27/03/1158722703.db2.gz ITYCBJJBVYQMCX-UHFFFAOYSA-N 2 1 293.455 1.733 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001691105388 1158910915 /nfs/dbraw/zinc/91/09/15/1158910915.db2.gz BCIGUACTUUUVKF-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001691105388 1158910918 /nfs/dbraw/zinc/91/09/18/1158910918.db2.gz BCIGUACTUUUVKF-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001691105388 1158910922 /nfs/dbraw/zinc/91/09/22/1158910922.db2.gz BCIGUACTUUUVKF-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001691166470 1158941907 /nfs/dbraw/zinc/94/19/07/1158941907.db2.gz SXLNAVPPXWIYOB-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001691166470 1158941910 /nfs/dbraw/zinc/94/19/10/1158941910.db2.gz SXLNAVPPXWIYOB-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001691166470 1158941914 /nfs/dbraw/zinc/94/19/14/1158941914.db2.gz SXLNAVPPXWIYOB-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362158 1158510777 /nfs/dbraw/zinc/51/07/77/1158510777.db2.gz YSGGHSZQIHBRQL-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001266362158 1158510781 /nfs/dbraw/zinc/51/07/81/1158510781.db2.gz YSGGHSZQIHBRQL-JKSUJKDBSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001670478213 1158616991 /nfs/dbraw/zinc/61/69/91/1158616991.db2.gz BZZHGQOQASEVCJ-HZPDHXFCSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CCC ZINC001496487057 1159926831 /nfs/dbraw/zinc/92/68/31/1159926831.db2.gz KHNHCMZHVPKJEH-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566893975 1168458702 /nfs/dbraw/zinc/45/87/02/1168458702.db2.gz SMDITCLDOKBAJZ-BZUAXINKSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)Cn1cc[nH+]c1C ZINC001568544612 1169357304 /nfs/dbraw/zinc/35/73/04/1169357304.db2.gz FGDJSHIVTBWJDW-UONOGXRCSA-N 2 1 276.384 1.252 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001571502351 1170456354 /nfs/dbraw/zinc/45/63/54/1170456354.db2.gz DAIFKKLGLABZBP-GOEBONIOSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[N@H+](C)CCC)C1 ZINC001661554514 1172406323 /nfs/dbraw/zinc/40/63/23/1172406323.db2.gz CBNAZLIOBZSJDD-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001661554514 1172406328 /nfs/dbraw/zinc/40/63/28/1172406328.db2.gz CBNAZLIOBZSJDD-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001661554514 1172406334 /nfs/dbraw/zinc/40/63/34/1172406334.db2.gz CBNAZLIOBZSJDD-JKSUJKDBSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001661609976 1172415618 /nfs/dbraw/zinc/41/56/18/1172415618.db2.gz DOJAUQZTFDVEKI-XQLPTFJDSA-N 2 1 295.402 1.069 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC[C@H](C)F)C1 ZINC001661609976 1172415625 /nfs/dbraw/zinc/41/56/25/1172415625.db2.gz DOJAUQZTFDVEKI-XQLPTFJDSA-N 2 1 295.402 1.069 10 30 CDEEMP C#CC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001664811898 1172913707 /nfs/dbraw/zinc/91/37/07/1172913707.db2.gz KEPIANLJRZVAAC-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001664811898 1172913711 /nfs/dbraw/zinc/91/37/11/1172913711.db2.gz KEPIANLJRZVAAC-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001664811898 1172913716 /nfs/dbraw/zinc/91/37/16/1172913716.db2.gz KEPIANLJRZVAAC-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@H+](C)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001674984599 1174054928 /nfs/dbraw/zinc/05/49/28/1174054928.db2.gz ANWALVIFASPIKE-CYBMUJFWSA-N 2 1 255.406 1.341 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 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CDEEMP C=CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700348644 1176861060 /nfs/dbraw/zinc/86/10/60/1176861060.db2.gz DQAKCRSGLRTFJA-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001700356185 1176868629 /nfs/dbraw/zinc/86/86/29/1176868629.db2.gz FVTHTEUTMYRLLZ-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001700468218 1176957127 /nfs/dbraw/zinc/95/71/27/1176957127.db2.gz XSINPOUMZYPOQY-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001700468218 1176957131 /nfs/dbraw/zinc/95/71/31/1176957131.db2.gz XSINPOUMZYPOQY-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001700468218 1176957137 /nfs/dbraw/zinc/95/71/37/1176957137.db2.gz XSINPOUMZYPOQY-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@@H]1C ZINC001700817926 1177147416 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279.428 1.295 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001713758999 1178741504 /nfs/dbraw/zinc/74/15/04/1178741504.db2.gz ITZDVNBTNFHHJH-LSDHHAIUSA-N 2 1 279.428 1.295 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001714635665 1179286696 /nfs/dbraw/zinc/28/66/96/1179286696.db2.gz PERBLTXVBYLTRO-CQSZACIVSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001714648823 1179295626 /nfs/dbraw/zinc/29/56/26/1179295626.db2.gz ORYKWNRNVQRRED-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001715673030 1179759392 /nfs/dbraw/zinc/75/93/92/1179759392.db2.gz NUZAHKRJJVZMKQ-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)CC[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001716249431 1180119221 /nfs/dbraw/zinc/11/92/21/1180119221.db2.gz WQTNASKQNHOZSS-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001716400892 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CC#CC[NH2+][C@H](CCNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001717720313 1180806204 /nfs/dbraw/zinc/80/62/04/1180806204.db2.gz FQMPXSWDPPRTCB-OAHLLOKOSA-N 2 1 290.411 1.335 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H]1C ZINC001717861254 1180898926 /nfs/dbraw/zinc/89/89/26/1180898926.db2.gz VMSBZDKXTVSGGI-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717861254 1180898933 /nfs/dbraw/zinc/89/89/33/1180898933.db2.gz VMSBZDKXTVSGGI-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CCC)[C@@H]1C ZINC001717861254 1180898939 /nfs/dbraw/zinc/89/89/39/1180898939.db2.gz VMSBZDKXTVSGGI-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCCC ZINC001723044189 1181513444 /nfs/dbraw/zinc/51/34/44/1181513444.db2.gz UGAOYXSCGCPVJZ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCCC ZINC001723044189 1181513450 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C=CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001725042880 1181832672 /nfs/dbraw/zinc/83/26/72/1181832672.db2.gz QPTAIXHRGSPZOL-HZPDHXFCSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001725062855 1181840411 /nfs/dbraw/zinc/84/04/11/1181840411.db2.gz MPQCYQDFRWLFLO-RUXDESIVSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001725649769 1182087541 /nfs/dbraw/zinc/08/75/41/1182087541.db2.gz BIIUFGHUXKJKGR-CABCVRRESA-N 2 1 288.395 1.089 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)CC[N@H+](C)CCC)CC1 ZINC001725831957 1182145259 /nfs/dbraw/zinc/14/52/59/1182145259.db2.gz AVSDVJMGRDWAKN-UHFFFAOYSA-N 2 1 291.439 1.490 10 30 CDEEMP CC#CC[N@H+]1CC=C(CNC(=O)CC[NH+](C)CCC)CC1 ZINC001725831957 1182145263 /nfs/dbraw/zinc/14/52/63/1182145263.db2.gz AVSDVJMGRDWAKN-UHFFFAOYSA-N 2 1 291.439 1.490 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)CC[NH+](C)CCC)CC1 ZINC001725831957 1182145266 /nfs/dbraw/zinc/14/52/66/1182145266.db2.gz AVSDVJMGRDWAKN-UHFFFAOYSA-N 2 1 291.439 1.490 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731785840 1182578422 /nfs/dbraw/zinc/57/84/22/1182578422.db2.gz JAZQLPIEIHAORE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@@H+](C)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731785840 1182578426 /nfs/dbraw/zinc/57/84/26/1182578426.db2.gz JAZQLPIEIHAORE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CCN1CCC[C@H]1C(=O)NCC[N@H+](CCCF)C1CC1 ZINC001731876840 1182646178 /nfs/dbraw/zinc/64/61/78/1182646178.db2.gz UMCVSLPMGKOMBN-HNNXBMFYSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CCCF)C1CC1 ZINC001731876840 1182646180 /nfs/dbraw/zinc/64/61/80/1182646180.db2.gz UMCVSLPMGKOMBN-HNNXBMFYSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CCCF)C1CC1 ZINC001731876840 1182646181 /nfs/dbraw/zinc/64/61/81/1182646181.db2.gz UMCVSLPMGKOMBN-HNNXBMFYSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCF)C1CC1 ZINC001731876840 1182646182 /nfs/dbraw/zinc/64/61/82/1182646182.db2.gz UMCVSLPMGKOMBN-HNNXBMFYSA-N 2 1 295.402 1.024 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCCF)C1CC1 ZINC001731876840 1182646184 /nfs/dbraw/zinc/64/61/84/1182646184.db2.gz UMCVSLPMGKOMBN-HNNXBMFYSA-N 2 1 295.402 1.024 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731994328 1182718505 /nfs/dbraw/zinc/71/85/05/1182718505.db2.gz QGFBEGXBVMSHPA-ZBFHGGJFSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001732095208 1182764644 /nfs/dbraw/zinc/76/46/44/1182764644.db2.gz GRXAYBOVHTUQLI-OCCSQVGLSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001732095208 1182764648 /nfs/dbraw/zinc/76/46/48/1182764648.db2.gz GRXAYBOVHTUQLI-OCCSQVGLSA-N 2 1 265.401 1.236 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001732126670 1182788266 /nfs/dbraw/zinc/78/82/66/1182788266.db2.gz GJIIMOVFAVVBBB-JKSUJKDBSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CC)C(=O)CC[N@H+](C)CCC)C1 ZINC001732185738 1182841692 /nfs/dbraw/zinc/84/16/92/1182841692.db2.gz PLKLCJXWXNOHMQ-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001732185738 1182841705 /nfs/dbraw/zinc/84/17/05/1182841705.db2.gz PLKLCJXWXNOHMQ-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)CCC)C1 ZINC001732185738 1182841716 /nfs/dbraw/zinc/84/17/16/1182841716.db2.gz PLKLCJXWXNOHMQ-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001733083650 1183281403 /nfs/dbraw/zinc/28/14/03/1183281403.db2.gz NLIKLRFHBKQTLX-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001733219702 1183346663 /nfs/dbraw/zinc/34/66/63/1183346663.db2.gz PQDLGMSNTQFNEQ-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001733219702 1183346671 /nfs/dbraw/zinc/34/66/71/1183346671.db2.gz PQDLGMSNTQFNEQ-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001733219702 1183346679 /nfs/dbraw/zinc/34/66/79/1183346679.db2.gz PQDLGMSNTQFNEQ-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001733225279 1183351858 /nfs/dbraw/zinc/35/18/58/1183351858.db2.gz KTVSDMQWPQCSDS-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001733225279 1183351863 /nfs/dbraw/zinc/35/18/63/1183351863.db2.gz KTVSDMQWPQCSDS-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)CCC)C[C@H]21 ZINC001734451305 1183782166 /nfs/dbraw/zinc/78/21/66/1183782166.db2.gz WPJWCOLVZLSUBJ-ARFHVFGLSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001644638380 1167333209 /nfs/dbraw/zinc/33/32/09/1167333209.db2.gz PLEVNOHOOFMYTO-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001644638380 1167333215 /nfs/dbraw/zinc/33/32/15/1167333215.db2.gz PLEVNOHOOFMYTO-OWCLPIDISA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000819304064 836264733 /nfs/dbraw/zinc/26/47/33/836264733.db2.gz BUJSVDMLRAIKPT-FUHWJXTLSA-N 2 1 286.419 1.666 10 30 CDEEMP CC(C)[N@H+]1CCC[C@@H](CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261712842 836401503 /nfs/dbraw/zinc/40/15/03/836401503.db2.gz DUYQFVHTDGKMQH-KBPBESRZSA-N 2 1 282.432 1.190 10 30 CDEEMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=[NH2+])NC[C@@H]2CCCO2)C1 ZINC000261763780 837059298 /nfs/dbraw/zinc/05/92/98/837059298.db2.gz LTPVCAVFQHBZRR-KGLIPLIRSA-N 2 1 296.459 1.580 10 30 CDEEMP C#CCOCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258129 839049625 /nfs/dbraw/zinc/04/96/25/839049625.db2.gz CRHTXXKACZAUHC-CQSZACIVSA-N 2 1 259.353 1.242 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000876884203 839130591 /nfs/dbraw/zinc/13/05/91/839130591.db2.gz OHCUNWOMTHTSKS-DLOVCJGASA-N 2 1 273.808 1.255 10 30 CDEEMP C=CC[C@]1(C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCC[NH2+]1 ZINC000877451784 839850192 /nfs/dbraw/zinc/85/01/92/839850192.db2.gz QFQLSAWEYGCRNS-SQWLQELKSA-N 2 1 277.412 1.380 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923505057 840228488 /nfs/dbraw/zinc/22/84/88/840228488.db2.gz XFDGAFXHXUVBLF-KGLIPLIRSA-N 2 1 265.401 1.104 10 30 CDEEMP CC[NH+]=C(NC1CC1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000261949612 841547017 /nfs/dbraw/zinc/54/70/17/841547017.db2.gz GYKYVJAKYXSNEA-DGCLKSJQSA-N 2 1 252.406 1.433 10 30 CDEEMP C[C@H](CNC(=[NH2+])NC1CCCCC1)CN1CC[NH+](C)CC1 ZINC000303886804 841575172 /nfs/dbraw/zinc/57/51/72/841575172.db2.gz NZXRUYMHFYDIRR-CQSZACIVSA-N 2 1 295.475 1.107 10 30 CDEEMP CC#CC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001566074890 1168226023 /nfs/dbraw/zinc/22/60/23/1168226023.db2.gz CWTOSXRSXVUGJQ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001266483282 895032364 /nfs/dbraw/zinc/03/23/64/895032364.db2.gz SFEUKMBJPJZZSL-HZPDHXFCSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001266683936 895822448 /nfs/dbraw/zinc/82/24/48/895822448.db2.gz YXJNXSIPIZUUTG-QLFBSQMISA-N 2 1 277.412 1.119 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001267044506 896625479 /nfs/dbraw/zinc/62/54/79/896625479.db2.gz SIDAMPVVUJETBE-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001267493911 898148856 /nfs/dbraw/zinc/14/88/56/898148856.db2.gz NOGZIHMCFWMGRB-ZDUSSCGKSA-N 2 1 290.411 1.594 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001267545182 898310340 /nfs/dbraw/zinc/31/03/40/898310340.db2.gz PJVOZTLIUSRQID-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP CC#CC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)CC)C1 ZINC001267549407 898324045 /nfs/dbraw/zinc/32/40/45/898324045.db2.gz WNRFMAULWSCPEH-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@H+](C)CC)C1 ZINC001267549407 898324061 /nfs/dbraw/zinc/32/40/61/898324061.db2.gz WNRFMAULWSCPEH-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP CC#CC[NH+]1CC[C@@H](N(CCC)C(=O)CC[N@@H+](C)CC)C1 ZINC001267549407 898324077 /nfs/dbraw/zinc/32/40/77/898324077.db2.gz WNRFMAULWSCPEH-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C#CC[N@H+](CC)CCNC(=O)CCCn1cc[nH+]c1C ZINC001481006575 898467009 /nfs/dbraw/zinc/46/70/09/898467009.db2.gz WDTOEDBWOTYNNY-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)CCCn1cc[nH+]c1C ZINC001481006575 898467013 /nfs/dbraw/zinc/46/70/13/898467013.db2.gz WDTOEDBWOTYNNY-UHFFFAOYSA-N 2 1 276.384 1.043 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267595355 898645555 /nfs/dbraw/zinc/64/55/55/898645555.db2.gz HTBXZNBUHSBMQA-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267595355 898645560 /nfs/dbraw/zinc/64/55/60/898645560.db2.gz HTBXZNBUHSBMQA-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267595355 898645565 /nfs/dbraw/zinc/64/55/65/898645565.db2.gz HTBXZNBUHSBMQA-HOTGVXAUSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CCC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001481186289 899083466 /nfs/dbraw/zinc/08/34/66/899083466.db2.gz NPWRPZTXVVXWDN-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186289 899083479 /nfs/dbraw/zinc/08/34/79/899083479.db2.gz NPWRPZTXVVXWDN-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186289 899083491 /nfs/dbraw/zinc/08/34/91/899083491.db2.gz NPWRPZTXVVXWDN-UHFFFAOYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=C(C)CC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481196745 899113494 /nfs/dbraw/zinc/11/34/94/899113494.db2.gz OPAXPHVHMSZWJL-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001481196745 899113498 /nfs/dbraw/zinc/11/34/98/899113498.db2.gz OPAXPHVHMSZWJL-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001481196745 899113502 /nfs/dbraw/zinc/11/35/02/899113502.db2.gz OPAXPHVHMSZWJL-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001567689252 1168916867 /nfs/dbraw/zinc/91/68/67/1168916867.db2.gz SECRMCZGDAMZFE-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001567689252 1168916874 /nfs/dbraw/zinc/91/68/74/1168916874.db2.gz SECRMCZGDAMZFE-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+]1CC[C@H](N(CCC)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001567689252 1168916884 /nfs/dbraw/zinc/91/68/84/1168916884.db2.gz SECRMCZGDAMZFE-CVEARBPZSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001267847592 899864065 /nfs/dbraw/zinc/86/40/65/899864065.db2.gz ZRIDNCSLOCNAHX-HNNXBMFYSA-N 2 1 293.455 1.923 10 30 CDEEMP C=CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267953425 900052606 /nfs/dbraw/zinc/05/26/06/900052606.db2.gz MWGDWWAGMTVQIS-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001481495494 900923577 /nfs/dbraw/zinc/92/35/77/900923577.db2.gz APSLOTJBRZLXBD-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP CC#CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481497719 900924905 /nfs/dbraw/zinc/92/49/05/900924905.db2.gz LIIJLHDWEDSLGH-CABCVRRESA-N 2 1 279.428 1.130 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001268255027 901678247 /nfs/dbraw/zinc/67/82/47/901678247.db2.gz LEHRKXHTTDYFCD-OAHLLOKOSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001268404210 902002599 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C#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCCCCC)C1 ZINC001269073055 903395818 /nfs/dbraw/zinc/39/58/18/903395818.db2.gz GSTAUWWXLYFFGP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCCCCC)C1 ZINC001269073055 903395828 /nfs/dbraw/zinc/39/58/28/903395828.db2.gz GSTAUWWXLYFFGP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001269073055 903395842 /nfs/dbraw/zinc/39/58/42/903395842.db2.gz GSTAUWWXLYFFGP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCCCCC)C1 ZINC001269073055 903395859 /nfs/dbraw/zinc/39/58/59/903395859.db2.gz GSTAUWWXLYFFGP-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001270643197 904867583 /nfs/dbraw/zinc/86/75/83/904867583.db2.gz SJAOTSIWMWTDQU-QGZVFWFLSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001270921170 905446932 /nfs/dbraw/zinc/44/69/32/905446932.db2.gz 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C=CCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001491079253 936851742 /nfs/dbraw/zinc/85/17/42/936851742.db2.gz IVYZOYDWRLNRPE-MCIONIFRSA-N 2 1 265.401 1.141 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491153409 936865803 /nfs/dbraw/zinc/86/58/03/936865803.db2.gz KVPBYORJQWWASC-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCN1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001488662852 926654900 /nfs/dbraw/zinc/65/49/00/926654900.db2.gz MHMVEPPTPFEBJD-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001488662852 926654908 /nfs/dbraw/zinc/65/49/08/926654908.db2.gz MHMVEPPTPFEBJD-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[NH+]1CC[C@@H]1CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001488662852 926654915 /nfs/dbraw/zinc/65/49/15/926654915.db2.gz MHMVEPPTPFEBJD-ZIAGYGMSSA-N 2 1 265.401 1.047 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001488662852 926654928 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CDEEMP C=CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001284131024 943085791 /nfs/dbraw/zinc/08/57/91/943085791.db2.gz YKXUEJXSOIYGRR-UKRRQHHQSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H]1C ZINC001284131024 943085798 /nfs/dbraw/zinc/08/57/98/943085798.db2.gz YKXUEJXSOIYGRR-UKRRQHHQSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001284131024 943085808 /nfs/dbraw/zinc/08/58/08/943085808.db2.gz YKXUEJXSOIYGRR-UKRRQHHQSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CCCC[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001265276127 944311130 /nfs/dbraw/zinc/31/11/30/944311130.db2.gz ZEDMQWWWEQGSMX-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265276127 944311137 /nfs/dbraw/zinc/31/11/37/944311137.db2.gz ZEDMQWWWEQGSMX-KGLIPLIRSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001265276127 944311146 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1.487 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC=C(C)C ZINC001498307057 973820046 /nfs/dbraw/zinc/82/00/46/973820046.db2.gz VNECCYIZUVLLAL-CVEARBPZSA-N 2 1 291.439 1.487 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CC1 ZINC001498560654 973983772 /nfs/dbraw/zinc/98/37/72/973983772.db2.gz TUMCOJFPTIXJAM-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CC1 ZINC001498560654 973983783 /nfs/dbraw/zinc/98/37/83/973983783.db2.gz TUMCOJFPTIXJAM-INIZCTEOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001499032559 974166488 /nfs/dbraw/zinc/16/64/88/974166488.db2.gz IGHWLKGSBXQQPZ-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001501149679 974541920 /nfs/dbraw/zinc/54/19/20/974541920.db2.gz FSCHHKVHWXGFEK-LSDHHAIUSA-N 2 1 279.428 1.036 10 30 CDEEMP C#CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001502784624 974783637 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C=CCC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001676056637 1174177749 /nfs/dbraw/zinc/17/77/49/1174177749.db2.gz BEOFZWWOXQTOIM-INIZCTEOSA-N 2 1 293.455 1.970 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001570780758 1170280096 /nfs/dbraw/zinc/28/00/96/1170280096.db2.gz BTXOIOHPXXOJFJ-GJZGRUSLSA-N 2 1 279.428 1.034 10 30 CDEEMP C#CCC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)CCC)C[C@@H]2C1 ZINC001656843226 1171885227 /nfs/dbraw/zinc/88/52/27/1171885227.db2.gz QMBRSUGLMHRPSS-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001656843226 1171885233 /nfs/dbraw/zinc/88/52/33/1171885233.db2.gz QMBRSUGLMHRPSS-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CCC)C[C@@H]2C1 ZINC001656843226 1171885243 /nfs/dbraw/zinc/88/52/43/1171885243.db2.gz QMBRSUGLMHRPSS-CVEARBPZSA-N 2 1 291.439 1.132 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001657058846 1171921408 /nfs/dbraw/zinc/92/14/08/1171921408.db2.gz GOLGDXGOUIMPMH-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001657058846 1171921416 /nfs/dbraw/zinc/92/14/16/1171921416.db2.gz GOLGDXGOUIMPMH-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001657058846 1171921424 /nfs/dbraw/zinc/92/14/24/1171921424.db2.gz GOLGDXGOUIMPMH-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CC[C@@H]1CC[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)C1 ZINC000651704333 398158758 /nfs/dbraw/zinc/15/87/58/398158758.db2.gz FPBGTNLWWQFOIC-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])CCCCC#N)[C@H](C)C1 ZINC000594439643 342906524 /nfs/dbraw/zinc/90/65/24/342906524.db2.gz TZYJFZPZGKVFGJ-KFWWJZLASA-N 2 1 294.443 1.586 10 30 CDEEMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594440651 342907090 /nfs/dbraw/zinc/90/70/90/342907090.db2.gz HJQAUYWMZOKEMJ-KGLIPLIRSA-N 2 1 280.416 1.198 10 30 CDEEMP N#CC1(C[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000600715714 342244181 /nfs/dbraw/zinc/24/41/81/342244181.db2.gz HTNJTICWTVGNMH-IHRRRGAJSA-N 2 1 263.385 1.258 10 30 CDEEMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600721071 342244771 /nfs/dbraw/zinc/24/47/71/342244771.db2.gz KUJGAIRPKWGVSJ-KBPBESRZSA-N 2 1 265.401 1.363 10 30 CDEEMP N#CCc1cccc2c1CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000600752444 342248254 /nfs/dbraw/zinc/24/82/54/342248254.db2.gz XJNLPRLBJGGSFJ-UHFFFAOYSA-N 2 1 284.407 1.016 10 30 CDEEMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C#N)c(F)c1 ZINC000600708304 349876000 /nfs/dbraw/zinc/87/60/00/349876000.db2.gz LOPBBXFLNONYIO-LLVKDONJSA-N 2 1 277.343 1.856 10 30 CDEEMP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166180 198188305 /nfs/dbraw/zinc/18/83/05/198188305.db2.gz PAJCQONYXSTJCS-DLBZAZTESA-N 2 1 285.391 1.619 10 30 CDEEMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166180 198188307 /nfs/dbraw/zinc/18/83/07/198188307.db2.gz PAJCQONYXSTJCS-DLBZAZTESA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166180 198188308 /nfs/dbraw/zinc/18/83/08/198188308.db2.gz PAJCQONYXSTJCS-DLBZAZTESA-N 2 1 285.391 1.619 10 30 CDEEMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc(C#N)cc3)C2)C1 ZINC000292166180 198188310 /nfs/dbraw/zinc/18/83/10/198188310.db2.gz PAJCQONYXSTJCS-DLBZAZTESA-N 2 1 285.391 1.619 10 30 CDEEMP CC(C)[N@H+]1CC[C@H](CNCc2nc(C#N)cs2)C1 ZINC000386384367 366987568 /nfs/dbraw/zinc/98/75/68/366987568.db2.gz SFNAZWSJURSOHE-LLVKDONJSA-N 2 1 264.398 1.835 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)C[NH+](C)CC(C)(C)C ZINC001663423655 1172691469 /nfs/dbraw/zinc/69/14/69/1172691469.db2.gz YRSPWMSKTMTROS-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001663423655 1172691474 /nfs/dbraw/zinc/69/14/74/1172691474.db2.gz YRSPWMSKTMTROS-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C#CC[NH+](CC)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001663423655 1172691476 /nfs/dbraw/zinc/69/14/76/1172691476.db2.gz YRSPWMSKTMTROS-UHFFFAOYSA-N 2 1 267.417 1.036 10 30 CDEEMP C[C@H]1CCC[N@@H+](CCCCNC(=[NH2+])NC2CC2)C1 ZINC000058184988 390497952 /nfs/dbraw/zinc/49/79/52/390497952.db2.gz IPMGGSWNQQULLB-LBPRGKRZSA-N 2 1 252.406 1.565 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CCC[NH2+]1 ZINC000662661194 413265594 /nfs/dbraw/zinc/26/55/94/413265594.db2.gz MIUXJPZPNHPCCE-ZFWWWQNUSA-N 2 1 265.401 1.285 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754275 424441073 /nfs/dbraw/zinc/44/10/73/424441073.db2.gz PFCNGXSPJKNJTL-CABCVRRESA-N 2 1 268.401 1.156 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001673962047 1173902322 /nfs/dbraw/zinc/90/23/22/1173902322.db2.gz SMXJHINRGYDBKP-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP CC(C)[N@H+]1CCC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000262454763 330014286 /nfs/dbraw/zinc/01/42/86/330014286.db2.gz KUQMDBZUNKOAMG-ZIAGYGMSSA-N 2 1 282.432 1.142 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000262823546 330034177 /nfs/dbraw/zinc/03/41/77/330034177.db2.gz YXRLXXNKCRFGQR-GFCCVEGCSA-N 2 1 250.390 1.331 10 30 CDEEMP CC[NH+]=C(NC1CCC1)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000262823546 330034179 /nfs/dbraw/zinc/03/41/79/330034179.db2.gz YXRLXXNKCRFGQR-GFCCVEGCSA-N 2 1 250.390 1.331 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001699876233 1176664813 /nfs/dbraw/zinc/66/48/13/1176664813.db2.gz ZXWJXJBTQARADU-MRXNPFEDSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700890564 1160070639 /nfs/dbraw/zinc/07/06/39/1160070639.db2.gz WTQFUOWHBZZRSM-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496792665 1160642882 /nfs/dbraw/zinc/64/28/82/1160642882.db2.gz IADPLCHMPQENJX-MRXNPFEDSA-N 2 1 293.455 1.664 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001483337631 1160907008 /nfs/dbraw/zinc/90/70/08/1160907008.db2.gz MVNAARJTTHETAG-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001483337631 1160907011 /nfs/dbraw/zinc/90/70/11/1160907011.db2.gz MVNAARJTTHETAG-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483337631 1160907016 /nfs/dbraw/zinc/90/70/16/1160907016.db2.gz MVNAARJTTHETAG-HUUCEWRRSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001715518283 1179694120 /nfs/dbraw/zinc/69/41/20/1179694120.db2.gz ADPGSGGIVPXTOJ-AWEZNQCLSA-N 2 1 269.433 1.539 10 30 CDEEMP CC[C@@H]1COCC[N@@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609355 523500184 /nfs/dbraw/zinc/50/01/84/523500184.db2.gz XUFDYQGOXVVELU-MRXNPFEDSA-N 2 1 288.391 1.486 10 30 CDEEMP CC[C@@H]1COCC[N@H+]1CCOc1cccc(C#CC[NH3+])c1 ZINC000049609355 523500193 /nfs/dbraw/zinc/50/01/93/523500193.db2.gz XUFDYQGOXVVELU-MRXNPFEDSA-N 2 1 288.391 1.486 10 30 CDEEMP C[C@@H]1C[NH+](Cc2ccc(C#CC[NH3+])cc2)C[C@@H](C)O1 ZINC000049608435 524991350 /nfs/dbraw/zinc/99/13/50/524991350.db2.gz CNSLQDBLAQJSLU-ZIAGYGMSSA-N 2 1 258.365 1.606 10 30 CDEEMP C=CCCN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001688699360 1175012635 /nfs/dbraw/zinc/01/26/35/1175012635.db2.gz AFCFIASICMXADS-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001688699360 1175012640 /nfs/dbraw/zinc/01/26/40/1175012640.db2.gz AFCFIASICMXADS-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP C=CCC[NH+]1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@H+]32)CC1 ZINC001688699360 1175012641 /nfs/dbraw/zinc/01/26/41/1175012641.db2.gz AFCFIASICMXADS-HOTGVXAUSA-N 2 1 291.439 1.724 10 30 CDEEMP CN1CCCc2cc(C=[NH+]N3CC[NH+](C)CC3)ccc21 ZINC000748035320 576892717 /nfs/dbraw/zinc/89/27/17/576892717.db2.gz DZQFNWLZWGQCOV-UHFFFAOYSA-N 2 1 272.396 1.650 10 30 CDEEMP C#CC[N@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001688896300 1175059820 /nfs/dbraw/zinc/05/98/20/1175059820.db2.gz AFVLDVLAOKUDGS-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001688896300 1175059825 /nfs/dbraw/zinc/05/98/25/1175059825.db2.gz AFVLDVLAOKUDGS-INIZCTEOSA-N 2 1 291.439 1.418 10 30 CDEEMP C#CC[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC000941158743 613225523 /nfs/dbraw/zinc/22/55/23/613225523.db2.gz UZLNINXMTNSIKC-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941158743 613225524 /nfs/dbraw/zinc/22/55/24/613225524.db2.gz UZLNINXMTNSIKC-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941158743 613225525 /nfs/dbraw/zinc/22/55/25/613225525.db2.gz UZLNINXMTNSIKC-HUUCEWRRSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215171 613534986 /nfs/dbraw/zinc/53/49/86/613534986.db2.gz MRXPZJFBLGIZEG-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753074 613745408 /nfs/dbraw/zinc/74/54/08/613745408.db2.gz JNUWZHMWTHGHGG-RBSFLKMASA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753074 613745412 /nfs/dbraw/zinc/74/54/12/613745412.db2.gz JNUWZHMWTHGHGG-RBSFLKMASA-N 2 1 293.455 1.729 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC000940753074 613745414 /nfs/dbraw/zinc/74/54/14/613745414.db2.gz JNUWZHMWTHGHGG-RBSFLKMASA-N 2 1 293.455 1.729 10 30 CDEEMP N#C[C@H]1CCC[C@@H]([NH2+]CCCCC[NH+]2CCNCC2)C1 ZINC000925848082 617884218 /nfs/dbraw/zinc/88/42/18/617884218.db2.gz ZTSNHJXKOVRNNP-JKSUJKDBSA-N 2 1 278.444 1.734 10 30 CDEEMP C[NH+]1CCC(C#N)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)CC1 ZINC000900607350 623288036 /nfs/dbraw/zinc/28/80/36/623288036.db2.gz BHVDCYSKMNALHZ-UONOGXRCSA-N 2 1 290.411 1.107 10 30 CDEEMP C[C@H]([NH3+])[C@@H]1C[N@H+](CC2CCC(C#N)CC2)CCO1 ZINC000903426813 625989216 /nfs/dbraw/zinc/98/92/16/625989216.db2.gz OOMBQSYXPLDVBX-ABXWRUBCSA-N 2 1 251.374 1.364 10 30 CDEEMP C[C@H]([NH3+])[C@@H]1C[N@@H+](CC2CCC(C#N)CC2)CCO1 ZINC000903426813 625989218 /nfs/dbraw/zinc/98/92/18/625989218.db2.gz OOMBQSYXPLDVBX-ABXWRUBCSA-N 2 1 251.374 1.364 10 30 CDEEMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)cc(C#N)c1 ZINC000903422651 625994059 /nfs/dbraw/zinc/99/40/59/625994059.db2.gz HSGJZYPQJDPJQN-UHFFFAOYSA-N 2 1 292.814 1.549 10 30 CDEEMP C=CCN1CC[C@H]([N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903810719 626100868 /nfs/dbraw/zinc/10/08/68/626100868.db2.gz GAVYTSXMVKQYIT-GJZGRUSLSA-N 2 1 291.439 1.757 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000876939992 630585934 /nfs/dbraw/zinc/58/59/34/630585934.db2.gz OEVHKEHTULBDBG-LBPRGKRZSA-N 2 1 273.808 1.399 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691170500 1158942997 /nfs/dbraw/zinc/94/29/97/1158942997.db2.gz CNQMSXWPUCASPN-JKSUJKDBSA-N 2 1 293.455 1.731 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691196587 1158954813 /nfs/dbraw/zinc/95/48/13/1158954813.db2.gz VCFJXYSPSYASMS-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691196587 1158954816 /nfs/dbraw/zinc/95/48/16/1158954816.db2.gz VCFJXYSPSYASMS-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001691196587 1158954820 /nfs/dbraw/zinc/95/48/20/1158954820.db2.gz VCFJXYSPSYASMS-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001266559648 1158622732 /nfs/dbraw/zinc/62/27/32/1158622732.db2.gz HWGOXKIWMKNFFQ-DLBZAZTESA-N 2 1 299.418 1.503 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268068003 1159774409 /nfs/dbraw/zinc/77/44/09/1159774409.db2.gz IFIBOZSPWGMMBK-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001566893347 1168040808 /nfs/dbraw/zinc/04/08/08/1168040808.db2.gz FVAZECOISAGWER-HRCADAONSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001565865851 1168190331 /nfs/dbraw/zinc/19/03/31/1168190331.db2.gz QDUMLXNVODHGGK-YHUYYLMFSA-N 2 1 291.439 1.224 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001567412275 1168743788 /nfs/dbraw/zinc/74/37/88/1168743788.db2.gz ZLTSLNWIYXVXHE-HNNXBMFYSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001568121848 1169139745 /nfs/dbraw/zinc/13/97/45/1169139745.db2.gz PWAORJHGJBYAIT-QGZVFWFLSA-N 2 1 299.418 1.367 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568850368 1169517826 /nfs/dbraw/zinc/51/78/26/1169517826.db2.gz KROIICRXDCDWMR-ZRUQZJFASA-N 2 1 299.846 1.874 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001569446916 1169882884 /nfs/dbraw/zinc/88/28/84/1169882884.db2.gz IJPDTEXKSUJQQM-CABCVRRESA-N 2 1 277.412 1.027 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(C)C ZINC001569543896 1169917885 /nfs/dbraw/zinc/91/78/85/1169917885.db2.gz CBFXHAKEDBJGKA-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(C)C ZINC001569543896 1169917889 /nfs/dbraw/zinc/91/78/89/1169917889.db2.gz CBFXHAKEDBJGKA-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001570720393 1170253687 /nfs/dbraw/zinc/25/36/87/1170253687.db2.gz RBGSHRRFCJAWJL-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570720393 1170253693 /nfs/dbraw/zinc/25/36/93/1170253693.db2.gz RBGSHRRFCJAWJL-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001570720393 1170253699 /nfs/dbraw/zinc/25/36/99/1170253699.db2.gz RBGSHRRFCJAWJL-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001570907997 1170318192 /nfs/dbraw/zinc/31/81/92/1170318192.db2.gz SJLDGVRPWDPQRD-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001571363082 1170386033 /nfs/dbraw/zinc/38/60/33/1170386033.db2.gz WAIIDYPQBFVRSF-HZPDHXFCSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001571466463 1170440931 /nfs/dbraw/zinc/44/09/31/1170440931.db2.gz VRPYRLNFHRPJKK-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C[C@H](CC(C)C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001667092658 1173234004 /nfs/dbraw/zinc/23/40/04/1173234004.db2.gz MOKVBSIILXMYBT-AWEZNQCLSA-N 2 1 279.428 1.224 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001668614536 1173432328 /nfs/dbraw/zinc/43/23/28/1173432328.db2.gz XZUAKIRFLYOKMM-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C#CCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001669867939 1173620714 /nfs/dbraw/zinc/62/07/14/1173620714.db2.gz LRBVMKBTYUCJLJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001669867939 1173620717 /nfs/dbraw/zinc/62/07/17/1173620717.db2.gz LRBVMKBTYUCJLJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001669867939 1173620721 /nfs/dbraw/zinc/62/07/21/1173620721.db2.gz LRBVMKBTYUCJLJ-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CC[N@H+](C)CC ZINC001669980501 1173639448 /nfs/dbraw/zinc/63/94/48/1173639448.db2.gz KIHQSNJAXHGXBG-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCCC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001676273100 1174199494 /nfs/dbraw/zinc/19/94/94/1174199494.db2.gz IFQNIJPNOIVRML-HOTGVXAUSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCC[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001690874981 1175597782 /nfs/dbraw/zinc/59/77/82/1175597782.db2.gz XYJAJGYPJMMZEA-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP CC#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001691831831 1175633041 /nfs/dbraw/zinc/63/30/41/1175633041.db2.gz TZLBKEPIQYOGFR-BZUAXINKSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CCC[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001691978986 1175662098 /nfs/dbraw/zinc/66/20/98/1175662098.db2.gz BWNHUAWVCLIFDQ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001691978986 1175662104 /nfs/dbraw/zinc/66/21/04/1175662104.db2.gz BWNHUAWVCLIFDQ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001691978986 1175662108 /nfs/dbraw/zinc/66/21/08/1175662108.db2.gz BWNHUAWVCLIFDQ-HZPDHXFCSA-N 2 1 291.439 1.132 10 30 CDEEMP C=CC[NH2+]C[C@@](C)(NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001698654803 1175887821 /nfs/dbraw/zinc/88/78/21/1175887821.db2.gz XHZZEVHVHGLCLT-CZUORRHYSA-N 2 1 279.428 1.389 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001698767761 1175925249 /nfs/dbraw/zinc/92/52/49/1175925249.db2.gz JNNACLZUSZDCNG-CQSZACIVSA-N 2 1 281.444 1.330 10 30 CDEEMP C#CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698919617 1175984941 /nfs/dbraw/zinc/98/49/41/1175984941.db2.gz CSRYLXKHJPHMEW-HOTGVXAUSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH2+]C/C=C\CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001699346129 1176274704 /nfs/dbraw/zinc/27/47/04/1176274704.db2.gz TYOGLEOBBPMLMJ-YOQOKRQFSA-N 2 1 265.401 1.307 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)C1 ZINC001699375440 1176333416 /nfs/dbraw/zinc/33/34/16/1176333416.db2.gz XTUJGWBZWLWJJW-KNIAUWFNSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CC(C)C1 ZINC001699375440 1176333430 /nfs/dbraw/zinc/33/34/30/1176333430.db2.gz XTUJGWBZWLWJJW-KNIAUWFNSA-N 2 1 291.439 1.224 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001699432803 1176394583 /nfs/dbraw/zinc/39/45/83/1176394583.db2.gz FDHKVAHTZIZBGP-HOCLYGCPSA-N 2 1 287.407 1.407 10 30 CDEEMP C=C(C)CC[NH+]1CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001699722621 1176587662 /nfs/dbraw/zinc/58/76/62/1176587662.db2.gz IVUFTJFXUCPZKF-CQSZACIVSA-N 2 1 267.417 1.435 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001699969908 1176702226 /nfs/dbraw/zinc/70/22/26/1176702226.db2.gz QGQACAGWRLNHMH-LSDHHAIUSA-N 2 1 293.455 1.282 10 30 CDEEMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@H]2C1 ZINC001699989658 1176708680 /nfs/dbraw/zinc/70/86/80/1176708680.db2.gz LFZHBAHHQYNUJB-OWCLPIDISA-N 2 1 291.439 1.130 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001700191066 1176792888 /nfs/dbraw/zinc/79/28/88/1176792888.db2.gz PLTGVJNKTGCQTE-UHFFFAOYSA-N 2 1 279.428 1.274 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CCC[NH+]1CCCC1 ZINC001707062273 1177935032 /nfs/dbraw/zinc/93/50/32/1177935032.db2.gz MHPSDYPVICOUSS-INIZCTEOSA-N 2 1 293.455 1.971 10 30 CDEEMP C=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707123473 1177953733 /nfs/dbraw/zinc/95/37/33/1177953733.db2.gz QUGBRKJNRBBDOZ-RRFJBIMHSA-N 2 1 279.428 1.389 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001707367243 1177994686 /nfs/dbraw/zinc/99/46/86/1177994686.db2.gz RVZVFFUZCWLENM-LBPRGKRZSA-N 2 1 273.808 1.271 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001707367243 1177994696 /nfs/dbraw/zinc/99/46/96/1177994696.db2.gz RVZVFFUZCWLENM-LBPRGKRZSA-N 2 1 273.808 1.271 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001707367243 1177994702 /nfs/dbraw/zinc/99/47/02/1177994702.db2.gz RVZVFFUZCWLENM-LBPRGKRZSA-N 2 1 273.808 1.271 10 30 CDEEMP C=C(Cl)C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001707367243 1177994714 /nfs/dbraw/zinc/99/47/14/1177994714.db2.gz RVZVFFUZCWLENM-LBPRGKRZSA-N 2 1 273.808 1.271 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001713134695 1178388477 /nfs/dbraw/zinc/38/84/77/1178388477.db2.gz SDOHIQRCCZYGQO-MRXNPFEDSA-N 2 1 293.455 1.522 10 30 CDEEMP C=C(C)CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001713520672 1178622137 /nfs/dbraw/zinc/62/21/37/1178622137.db2.gz ZEDPUFFFSCDPHZ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713520672 1178622139 /nfs/dbraw/zinc/62/21/39/1178622139.db2.gz ZEDPUFFFSCDPHZ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=C(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001713520672 1178622144 /nfs/dbraw/zinc/62/21/44/1178622144.db2.gz ZEDPUFFFSCDPHZ-HNNXBMFYSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+][C@H](C)C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001713682490 1178708026 /nfs/dbraw/zinc/70/80/26/1178708026.db2.gz BZCMAWZPZGUDLZ-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001713775580 1178748492 /nfs/dbraw/zinc/74/84/92/1178748492.db2.gz OEOHRLKGECEXJF-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001714290981 1179068393 /nfs/dbraw/zinc/06/83/93/1179068393.db2.gz IMAZAVUBWCZVJO-INIZCTEOSA-N 2 1 291.439 1.180 10 30 CDEEMP C#CC[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCCC1 ZINC001714497183 1179170919 /nfs/dbraw/zinc/17/09/19/1179170919.db2.gz NIQYIOHULDKAFM-UHFFFAOYSA-N 2 1 277.412 1.123 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714617404 1179271424 /nfs/dbraw/zinc/27/14/24/1179271424.db2.gz HNSSETZXKSKKKC-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001714617404 1179271431 /nfs/dbraw/zinc/27/14/31/1179271431.db2.gz HNSSETZXKSKKKC-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001714617404 1179271438 /nfs/dbraw/zinc/27/14/38/1179271438.db2.gz HNSSETZXKSKKKC-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001715655147 1179754834 /nfs/dbraw/zinc/75/48/34/1179754834.db2.gz KSXJRPYGFKGSGG-GFCCVEGCSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CCCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715798104 1179826742 /nfs/dbraw/zinc/82/67/42/1179826742.db2.gz JMZXGNXLCRDORL-UZYOAWRESA-N 2 1 265.401 1.309 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H](C)F ZINC001715826051 1179851080 /nfs/dbraw/zinc/85/10/80/1179851080.db2.gz ILNHJLJWFQOASQ-VQGNRHNMSA-N 2 1 295.402 1.094 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC[C@H](C)F ZINC001715826051 1179851071 /nfs/dbraw/zinc/85/10/71/1179851071.db2.gz ILNHJLJWFQOASQ-VQGNRHNMSA-N 2 1 295.402 1.094 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715928750 1179922509 /nfs/dbraw/zinc/92/25/09/1179922509.db2.gz XIEHXLNMZLGGEJ-KGLIPLIRSA-N 2 1 267.417 1.530 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001716014189 1179986369 /nfs/dbraw/zinc/98/63/69/1179986369.db2.gz QBHGMGQFVPISAX-UHFFFAOYSA-N 2 1 278.400 1.548 10 30 CDEEMP C=C(C)CC[N@H+](C)CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001716014189 1179986372 /nfs/dbraw/zinc/98/63/72/1179986372.db2.gz QBHGMGQFVPISAX-UHFFFAOYSA-N 2 1 278.400 1.548 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001716432285 1180205910 /nfs/dbraw/zinc/20/59/10/1180205910.db2.gz WVYJQLCTOUJSCN-STQMWFEESA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001716661160 1180345828 /nfs/dbraw/zinc/34/58/28/1180345828.db2.gz FTJDACGOCKJCIO-ZDUSSCGKSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[NH+]1CCC[C@@](C)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001716902666 1180458154 /nfs/dbraw/zinc/45/81/54/1180458154.db2.gz LIRPDQGFSVFRRX-INIZCTEOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001716902666 1180458156 /nfs/dbraw/zinc/45/81/56/1180458156.db2.gz LIRPDQGFSVFRRX-INIZCTEOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001716902666 1180458157 /nfs/dbraw/zinc/45/81/57/1180458157.db2.gz LIRPDQGFSVFRRX-INIZCTEOSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717202368 1180569682 /nfs/dbraw/zinc/56/96/82/1180569682.db2.gz RFGBSGGGUANVSH-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001717213278 1180577089 /nfs/dbraw/zinc/57/70/89/1180577089.db2.gz GXHPYERCIBKIFL-UHFFFAOYSA-N 2 1 293.455 1.522 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CC[N@H+](C)CCC ZINC001717434099 1180669639 /nfs/dbraw/zinc/66/96/39/1180669639.db2.gz BJJLJIOTSBGEAI-KBPBESRZSA-N 2 1 267.417 1.224 10 30 CDEEMP C=C(Cl)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001717661080 1180782047 /nfs/dbraw/zinc/78/20/47/1180782047.db2.gz IHAXBQHUBYQYBC-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001731316490 1182314403 /nfs/dbraw/zinc/31/44/03/1182314403.db2.gz ASDPFZHPMGBQKR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001731316490 1182314393 /nfs/dbraw/zinc/31/43/93/1182314393.db2.gz ASDPFZHPMGBQKR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[NH+](CC)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731316490 1182314397 /nfs/dbraw/zinc/31/43/97/1182314397.db2.gz ASDPFZHPMGBQKR-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCCC2)C1 ZINC001731561092 1182448958 /nfs/dbraw/zinc/44/89/58/1182448958.db2.gz YRXWGYLYKBKHHU-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001731733677 1182539969 /nfs/dbraw/zinc/53/99/69/1182539969.db2.gz RJPHCKBTPOGAPK-CVEARBPZSA-N 2 1 293.455 1.616 10 30 CDEEMP C[N@@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731794591 1182584823 /nfs/dbraw/zinc/58/48/23/1182584823.db2.gz FOKICZUYHOXHPP-KRWDZBQOSA-N 2 1 299.418 1.038 10 30 CDEEMP C[N@H+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001731794591 1182584828 /nfs/dbraw/zinc/58/48/28/1182584828.db2.gz FOKICZUYHOXHPP-KRWDZBQOSA-N 2 1 299.418 1.038 10 30 CDEEMP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001731794591 1182584833 /nfs/dbraw/zinc/58/48/33/1182584833.db2.gz FOKICZUYHOXHPP-KRWDZBQOSA-N 2 1 299.418 1.038 10 30 CDEEMP C[NH+](CC#Cc1ccccc1)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001731794591 1182584838 /nfs/dbraw/zinc/58/48/38/1182584838.db2.gz FOKICZUYHOXHPP-KRWDZBQOSA-N 2 1 299.418 1.038 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001731878182 1182645515 /nfs/dbraw/zinc/64/55/15/1182645515.db2.gz UQXGBVFENGCAGG-HOTGVXAUSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001731878182 1182645521 /nfs/dbraw/zinc/64/55/21/1182645521.db2.gz UQXGBVFENGCAGG-HOTGVXAUSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC1 ZINC001731878182 1182645526 /nfs/dbraw/zinc/64/55/26/1182645526.db2.gz UQXGBVFENGCAGG-HOTGVXAUSA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21)C1CC1 ZINC001731878182 1182645532 /nfs/dbraw/zinc/64/55/32/1182645532.db2.gz UQXGBVFENGCAGG-HOTGVXAUSA-N 2 1 289.423 1.217 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001732077890 1182755548 /nfs/dbraw/zinc/75/55/48/1182755548.db2.gz HNZQDSOGZNOMOF-INIZCTEOSA-N 2 1 293.455 1.685 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)Cn1cc[nH+]c1C ZINC001732623595 1183052765 /nfs/dbraw/zinc/05/27/65/1183052765.db2.gz DARUCBBLEGLSMX-CABCVRRESA-N 2 1 288.395 1.089 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C[C@@H]1C ZINC001733904172 1183562990 /nfs/dbraw/zinc/56/29/90/1183562990.db2.gz ZIUSAHHNKXLSDJ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001733904172 1183562994 /nfs/dbraw/zinc/56/29/94/1183562994.db2.gz ZIUSAHHNKXLSDJ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)C[C@@H]1C ZINC001733904172 1183562998 /nfs/dbraw/zinc/56/29/98/1183562998.db2.gz ZIUSAHHNKXLSDJ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CC[NH2+][C@@H](CCN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001734084200 1183652648 /nfs/dbraw/zinc/65/26/48/1183652648.db2.gz YJYIIAMJTTWPGH-HOTGVXAUSA-N 2 1 293.455 1.424 10 30 CDEEMP C=CC[NH+](C)C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001734270816 1183708755 /nfs/dbraw/zinc/70/87/55/1183708755.db2.gz CIZYZIFUKVTUHN-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001734270816 1183708758 /nfs/dbraw/zinc/70/87/58/1183708758.db2.gz CIZYZIFUKVTUHN-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[N@H+](C)C1CCN(C(=O)CC[NH+](C)CC)CC1 ZINC001734270816 1183708760 /nfs/dbraw/zinc/70/87/60/1183708760.db2.gz CIZYZIFUKVTUHN-UHFFFAOYSA-N 2 1 267.417 1.437 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH+](C(C)C)CC1 ZINC000876718921 844072600 /nfs/dbraw/zinc/07/26/00/844072600.db2.gz YYIZBGVISUPDCQ-NSHDSACASA-N 2 1 259.781 1.009 10 30 CDEEMP CC1([NH+]2CCC2)CC[NH+](C[C@H](O)CC2(C#N)CC2)CC1 ZINC000880475169 843014082 /nfs/dbraw/zinc/01/40/82/843014082.db2.gz BEWLTXPRXVNQMH-CQSZACIVSA-N 2 1 277.412 1.601 10 30 CDEEMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000848411047 843841377 /nfs/dbraw/zinc/84/13/77/843841377.db2.gz MFKUURICELFVME-ZDUSSCGKSA-N 2 1 291.399 1.534 10 30 CDEEMP Cc1cccc(NC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000303705738 844665204 /nfs/dbraw/zinc/66/52/04/844665204.db2.gz LBPKKWVSPNHITD-UHFFFAOYSA-N 2 1 276.384 1.444 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[NH+]1CCCC[C@@H]1C ZINC000303906746 845110359 /nfs/dbraw/zinc/11/03/59/845110359.db2.gz WGJOIKZXPXMBCN-LSDHHAIUSA-N 3 1 295.475 1.249 10 30 CDEEMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@@H+]1CCCC[C@@H]1C ZINC000303906746 845110363 /nfs/dbraw/zinc/11/03/63/845110363.db2.gz WGJOIKZXPXMBCN-LSDHHAIUSA-N 3 1 295.475 1.249 10 30 CDEEMP CC[NH+]1CCC[C@@H]1CNC(=[NH2+])NCC[N@H+]1CCCC[C@@H]1C ZINC000303906746 845110366 /nfs/dbraw/zinc/11/03/66/845110366.db2.gz WGJOIKZXPXMBCN-LSDHHAIUSA-N 3 1 295.475 1.249 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCn1cc[nH+]c1C ZINC000876722706 845760387 /nfs/dbraw/zinc/76/03/87/845760387.db2.gz BXGWLJQNVGZUNC-LLVKDONJSA-N 2 1 270.764 1.168 10 30 CDEEMP C#C[C@H]1CCC[NH+](CCOCC[N@@H+]2CCC[C@H](C#C)C2)C1 ZINC000847021751 846181748 /nfs/dbraw/zinc/18/17/48/846181748.db2.gz OMDZRBRCHKMENS-ROUUACIJSA-N 2 1 288.435 1.693 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000876956906 846590759 /nfs/dbraw/zinc/59/07/59/846590759.db2.gz RJMZDXHJHRHHTP-AVGNSLFASA-N 2 1 285.819 1.589 10 30 CDEEMP C[NH+]=C(NCC(C)(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000245615541 846598264 /nfs/dbraw/zinc/59/82/64/846598264.db2.gz MOCLIRIKESYXTP-CHWSQXEVSA-N 2 1 268.449 1.926 10 30 CDEEMP CC1([NH+]2CCC2)CC[NH+](C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000880475166 846643894 /nfs/dbraw/zinc/64/38/94/846643894.db2.gz BEWLTXPRXVNQMH-AWEZNQCLSA-N 2 1 277.412 1.601 10 30 CDEEMP C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923505056 846790564 /nfs/dbraw/zinc/79/05/64/846790564.db2.gz XFDGAFXHXUVBLF-KBPBESRZSA-N 2 1 265.401 1.104 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000876722855 847450163 /nfs/dbraw/zinc/45/01/63/847450163.db2.gz GSRLTDZLQVZTFR-VXGBXAGGSA-N 2 1 273.808 1.447 10 30 CDEEMP C#CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CSC1 ZINC000878910078 847500456 /nfs/dbraw/zinc/50/04/56/847500456.db2.gz NBZQBJQTSJOGOM-UHFFFAOYSA-N 2 1 295.496 1.453 10 30 CDEEMP C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CC1 ZINC000876898776 847973361 /nfs/dbraw/zinc/97/33/61/847973361.db2.gz VRBKPDHZCXMPKT-LLVKDONJSA-N 2 1 259.781 1.009 10 30 CDEEMP CC#CCN(C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567307090 1168052700 /nfs/dbraw/zinc/05/27/00/1168052700.db2.gz NCPJCGYVOCZWNW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001567307090 1168052709 /nfs/dbraw/zinc/05/27/09/1168052709.db2.gz NCPJCGYVOCZWNW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001567307090 1168052719 /nfs/dbraw/zinc/05/27/19/1168052719.db2.gz NCPJCGYVOCZWNW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001567307090 1168052729 /nfs/dbraw/zinc/05/27/29/1168052729.db2.gz NCPJCGYVOCZWNW-OAHLLOKOSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001566674509 1168381812 /nfs/dbraw/zinc/38/18/12/1168381812.db2.gz SSJFKKOENGOKHD-OLZOCXBDSA-N 2 1 253.390 1.093 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001566826382 1168434670 /nfs/dbraw/zinc/43/46/70/1168434670.db2.gz GZCHBGSQARQMJV-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001567403636 1168736500 /nfs/dbraw/zinc/73/65/00/1168736500.db2.gz PLPWMYYVYDCLKF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567403636 1168736507 /nfs/dbraw/zinc/73/65/07/1168736507.db2.gz PLPWMYYVYDCLKF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001567403636 1168736510 /nfs/dbraw/zinc/73/65/10/1168736510.db2.gz PLPWMYYVYDCLKF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001266353024 894517339 /nfs/dbraw/zinc/51/73/39/894517339.db2.gz MXNMWZSNSAXVFK-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001266423063 894797002 /nfs/dbraw/zinc/79/70/02/894797002.db2.gz ZZZVPJAVVJCGCU-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001266423063 894797013 /nfs/dbraw/zinc/79/70/13/894797013.db2.gz ZZZVPJAVVJCGCU-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH+](CC)CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001266423063 894797021 /nfs/dbraw/zinc/79/70/21/894797021.db2.gz ZZZVPJAVVJCGCU-LSDHHAIUSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001267380378 897791626 /nfs/dbraw/zinc/79/16/26/897791626.db2.gz JVHZUNDKIXRYDT-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCCC2)C1 ZINC001267548515 898322846 /nfs/dbraw/zinc/32/28/46/898322846.db2.gz GXLUMMADZCNKME-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C#CC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001481005171 898462446 /nfs/dbraw/zinc/46/24/46/898462446.db2.gz RBYZBDYDCWPLTE-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP C=C(C)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001267584195 898556006 /nfs/dbraw/zinc/55/60/06/898556006.db2.gz YPFHLRWMYPSSCL-BZUAXINKSA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267584195 898556013 /nfs/dbraw/zinc/55/60/13/898556013.db2.gz YPFHLRWMYPSSCL-BZUAXINKSA-N 2 1 293.455 1.683 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001267584195 898556019 /nfs/dbraw/zinc/55/60/19/898556019.db2.gz YPFHLRWMYPSSCL-BZUAXINKSA-N 2 1 293.455 1.683 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267743986 899531350 /nfs/dbraw/zinc/53/13/50/899531350.db2.gz CWQHHUWFQKONFH-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267743986 899531334 /nfs/dbraw/zinc/53/13/34/899531334.db2.gz CWQHHUWFQKONFH-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267743986 899531344 /nfs/dbraw/zinc/53/13/44/899531344.db2.gz CWQHHUWFQKONFH-CYBMUJFWSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001496366387 899926458 /nfs/dbraw/zinc/92/64/58/899926458.db2.gz BVNJBSQQMHHZRC-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC=C(C)C ZINC001267990449 900210502 /nfs/dbraw/zinc/21/05/02/900210502.db2.gz TUFBLCWUBKNEML-CVEARBPZSA-N 2 1 291.439 1.392 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC=C(C)C ZINC001267990449 900210510 /nfs/dbraw/zinc/21/05/10/900210510.db2.gz TUFBLCWUBKNEML-CVEARBPZSA-N 2 1 291.439 1.392 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001481497721 900926040 /nfs/dbraw/zinc/92/60/40/900926040.db2.gz LIIJLHDWEDSLGH-GJZGRUSLSA-N 2 1 279.428 1.130 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001268213053 901581698 /nfs/dbraw/zinc/58/16/98/901581698.db2.gz MAGRNGGMFQNOEW-MCIONIFRSA-N 2 1 267.417 1.243 10 30 CDEEMP CC#CC[N@H+](C)C[C@@H](C)NC(=O)[C@H](F)C[NH+](CC)CC ZINC001268732386 903049685 /nfs/dbraw/zinc/04/96/85/903049685.db2.gz JCINQBSQHWXKHR-ZIAGYGMSSA-N 2 1 285.407 1.126 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001269876229 904175020 /nfs/dbraw/zinc/17/50/20/904175020.db2.gz QEPPKYCVNCSHHC-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1C ZINC001270189186 904427863 /nfs/dbraw/zinc/42/78/63/904427863.db2.gz ZHIVUQCDBONGEV-OAHLLOKOSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482298424 904752165 /nfs/dbraw/zinc/75/21/65/904752165.db2.gz JQNLSEXXQVYYRF-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001482339778 905108124 /nfs/dbraw/zinc/10/81/24/905108124.db2.gz VIVCIOPCKRGTGN-CVEARBPZSA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001271645153 906566537 /nfs/dbraw/zinc/56/65/37/906566537.db2.gz MGDDKBAWONCGNY-GJZGRUSLSA-N 2 1 290.411 1.594 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001482529613 906843610 /nfs/dbraw/zinc/84/36/10/906843610.db2.gz KIUUFISIBGGVFX-HOTGVXAUSA-N 2 1 293.455 1.613 10 30 CDEEMP CC#CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001482532479 906875111 /nfs/dbraw/zinc/87/51/11/906875111.db2.gz SELLCBDATKPDKW-KFWWJZLASA-N 2 1 279.428 1.080 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C(C)C ZINC001482549630 907002994 /nfs/dbraw/zinc/00/29/94/907002994.db2.gz FNPBYTIXCJVPSE-SOUVJXGZSA-N 2 1 281.444 1.633 10 30 CDEEMP C#CCC[N@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001482642579 908106422 /nfs/dbraw/zinc/10/64/22/908106422.db2.gz MIUAKWQUPFQILL-HOTGVXAUSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C ZINC001483061186 909206586 /nfs/dbraw/zinc/20/65/86/909206586.db2.gz SRRIVCYCJDSJCS-BQYQJAHWSA-N 2 1 267.417 1.412 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001483142847 909803864 /nfs/dbraw/zinc/80/38/64/909803864.db2.gz ACIRZHLWWWUPOG-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H](C)C1 ZINC001483914721 915188882 /nfs/dbraw/zinc/18/88/82/915188882.db2.gz ARODHTMVTKVPAQ-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484123159 915445517 /nfs/dbraw/zinc/44/55/17/915445517.db2.gz XLCZMWASFUKLCQ-RDJZCZTQSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[N@H+](C)CC ZINC001484466233 915794596 /nfs/dbraw/zinc/79/45/96/915794596.db2.gz SKAUZLXGNKFJOV-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001484466233 915794611 /nfs/dbraw/zinc/79/46/11/915794611.db2.gz SKAUZLXGNKFJOV-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001484466233 915794617 /nfs/dbraw/zinc/79/46/17/915794617.db2.gz SKAUZLXGNKFJOV-CABCVRRESA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485582837 917107425 /nfs/dbraw/zinc/10/74/25/917107425.db2.gz URPUWHAHJDBJKA-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485582837 917107431 /nfs/dbraw/zinc/10/74/31/917107431.db2.gz URPUWHAHJDBJKA-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485582837 917107436 /nfs/dbraw/zinc/10/74/36/917107436.db2.gz URPUWHAHJDBJKA-CQSZACIVSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001485913685 920571671 /nfs/dbraw/zinc/57/16/71/920571671.db2.gz QSBKYLKVRIASAT-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183743 920789610 /nfs/dbraw/zinc/78/96/10/920789610.db2.gz LNWZONPKQNMAPY-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001486183745 920790956 /nfs/dbraw/zinc/79/09/56/920790956.db2.gz LNWZONPKQNMAPY-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C(C)(C)C ZINC001486424393 920993512 /nfs/dbraw/zinc/99/35/12/920993512.db2.gz SKFKIIFGHINCBI-KBPBESRZSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)C[NH+](C)CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001273560684 921014871 /nfs/dbraw/zinc/01/48/71/921014871.db2.gz PVOAMNNGDAAIOB-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001273560684 921014883 /nfs/dbraw/zinc/01/48/83/921014883.db2.gz PVOAMNNGDAAIOB-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001273560684 921014899 /nfs/dbraw/zinc/01/48/99/921014899.db2.gz PVOAMNNGDAAIOB-HNNXBMFYSA-N 2 1 281.444 1.685 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001568327519 1169249040 /nfs/dbraw/zinc/24/90/40/1169249040.db2.gz JXGVGAPDNDGYPT-GJZGRUSLSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001568327519 1169249044 /nfs/dbraw/zinc/24/90/44/1169249044.db2.gz JXGVGAPDNDGYPT-GJZGRUSLSA-N 2 1 297.443 1.014 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001491210067 936876770 /nfs/dbraw/zinc/87/67/70/936876770.db2.gz MQQUSRRGUJFTOA-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001491220666 936878877 /nfs/dbraw/zinc/87/88/77/936878877.db2.gz HKJPQWBNNHXQMX-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001491220666 936878879 /nfs/dbraw/zinc/87/88/79/936878879.db2.gz HKJPQWBNNHXQMX-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001491220666 936878881 /nfs/dbraw/zinc/87/88/81/936878881.db2.gz HKJPQWBNNHXQMX-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001491504097 936926346 /nfs/dbraw/zinc/92/63/46/936926346.db2.gz ISAJUPQTJPMMFO-KBPBESRZSA-N 2 1 267.417 1.531 10 30 CDEEMP C=C(C)C[N@@H+](C)CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001490275055 927072272 /nfs/dbraw/zinc/07/22/72/927072272.db2.gz BPLXZBWJUOTKNU-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001490275055 927072285 /nfs/dbraw/zinc/07/22/85/927072285.db2.gz BPLXZBWJUOTKNU-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=C(C)C[NH+](C)CCCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001490275055 927072299 /nfs/dbraw/zinc/07/22/99/927072299.db2.gz BPLXZBWJUOTKNU-INIZCTEOSA-N 2 1 279.428 1.487 10 30 CDEEMP C=CCC[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001490281787 927076909 /nfs/dbraw/zinc/07/69/09/927076909.db2.gz NDIFGVLQFIQMIQ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001490281787 927076925 /nfs/dbraw/zinc/07/69/25/927076925.db2.gz NDIFGVLQFIQMIQ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001490281787 927076937 /nfs/dbraw/zinc/07/69/37/927076937.db2.gz NDIFGVLQFIQMIQ-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH2+]C1(C)CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001274398953 931496986 /nfs/dbraw/zinc/49/69/86/931496986.db2.gz YSWAMDYYWWFBOT-UHFFFAOYSA-N 2 1 276.384 1.348 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001274654884 931532606 /nfs/dbraw/zinc/53/26/06/931532606.db2.gz POOUWOSFZFTBKC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001275009497 931632422 /nfs/dbraw/zinc/63/24/22/931632422.db2.gz IQYHATGDUFLQOP-HNNXBMFYSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cn1c[nH+]cc1C ZINC001275784812 932027872 /nfs/dbraw/zinc/02/78/72/932027872.db2.gz XUBFCGCFQOARHW-CABCVRRESA-N 2 1 290.411 1.642 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001276226084 932662578 /nfs/dbraw/zinc/66/25/78/932662578.db2.gz AUOMADJQNNFQDG-UHFFFAOYSA-N 2 1 269.433 1.588 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@H](C[N@H+](C)CCC)C1 ZINC001148223710 932671981 /nfs/dbraw/zinc/67/19/81/932671981.db2.gz HFWKNEFKZXUPEU-CQSZACIVSA-N 2 1 267.417 1.295 10 30 CDEEMP C=C(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001568709658 1169441176 /nfs/dbraw/zinc/44/11/76/1169441176.db2.gz CTJBMSSANGFMPR-ZIAGYGMSSA-N 2 1 267.417 1.389 10 30 CDEEMP C=CCC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277271824 942277114 /nfs/dbraw/zinc/27/71/14/942277114.db2.gz LARVENCDELMQBX-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP CC#CC[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001281499701 942585868 /nfs/dbraw/zinc/58/58/68/942585868.db2.gz DLOBGXQZNGKLAP-UHFFFAOYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001281663256 942605853 /nfs/dbraw/zinc/60/58/53/942605853.db2.gz BRMYCSIZJHKYMR-KBPBESRZSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C[C@@H]1C ZINC001281663256 942605851 /nfs/dbraw/zinc/60/58/51/942605851.db2.gz BRMYCSIZJHKYMR-KBPBESRZSA-N 2 1 279.428 1.626 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001281663256 942605852 /nfs/dbraw/zinc/60/58/52/942605852.db2.gz BRMYCSIZJHKYMR-KBPBESRZSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001282884713 942765588 /nfs/dbraw/zinc/76/55/88/942765588.db2.gz GAPAKNVYADLVHB-PHZGNYQRSA-N 2 1 291.439 1.342 10 30 CDEEMP C#CC[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C(C)C)C(C)C ZINC001283441280 942899181 /nfs/dbraw/zinc/89/91/81/942899181.db2.gz CDZJNLUZBBJIMT-HZPDHXFCSA-N 2 1 293.455 1.613 10 30 CDEEMP C=CCC[NH2+]C[C@H](C1CC1)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001283556029 942932130 /nfs/dbraw/zinc/93/21/30/942932130.db2.gz YGSSLHCAZIRBLP-GDBMZVCRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCOCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001283939869 943032202 /nfs/dbraw/zinc/03/22/02/943032202.db2.gz NSIDSMSLUZXUMM-LSDHHAIUSA-N 2 1 297.443 1.108 10 30 CDEEMP C#CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001277845895 943798339 /nfs/dbraw/zinc/79/83/39/943798339.db2.gz OMJVUVBYPGUZGN-GDBMZVCRSA-N 2 1 291.439 1.463 10 30 CDEEMP C=CCC[NH+]1CCC[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265590559 944440911 /nfs/dbraw/zinc/44/09/11/944440911.db2.gz CHXOQZUBPGORDB-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265590559 944440913 /nfs/dbraw/zinc/44/09/13/944440913.db2.gz CHXOQZUBPGORDB-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001265590559 944440917 /nfs/dbraw/zinc/44/09/17/944440917.db2.gz CHXOQZUBPGORDB-HZPDHXFCSA-N 2 1 293.455 1.733 10 30 CDEEMP C#CCC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001265655951 944459004 /nfs/dbraw/zinc/45/90/04/944459004.db2.gz SNFHWSIJKUCKOS-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655951 944459007 /nfs/dbraw/zinc/45/90/07/944459007.db2.gz SNFHWSIJKUCKOS-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001265655951 944459008 /nfs/dbraw/zinc/45/90/08/944459008.db2.gz SNFHWSIJKUCKOS-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001265676272 944465940 /nfs/dbraw/zinc/46/59/40/944465940.db2.gz ZEMCMHBXVNGXQL-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C=CCC[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001265711687 944478356 /nfs/dbraw/zinc/47/83/56/944478356.db2.gz NQBIDJNFUVWDEQ-ARKGTOAJSA-N 2 1 291.439 1.482 10 30 CDEEMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001265711687 944478358 /nfs/dbraw/zinc/47/83/58/944478358.db2.gz NQBIDJNFUVWDEQ-ARKGTOAJSA-N 2 1 291.439 1.482 10 30 CDEEMP C=CCC[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001265711687 944478360 /nfs/dbraw/zinc/47/83/60/944478360.db2.gz NQBIDJNFUVWDEQ-ARKGTOAJSA-N 2 1 291.439 1.482 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001266006033 944626509 /nfs/dbraw/zinc/62/65/09/944626509.db2.gz GZQWQXNOIUZXPB-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+](CC)CCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001266102525 944684149 /nfs/dbraw/zinc/68/41/49/944684149.db2.gz BEVBAJVLAVPXBO-OAHLLOKOSA-N 2 1 281.444 1.424 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001266184693 944741647 /nfs/dbraw/zinc/74/16/47/944741647.db2.gz OLANIJOQUOFKNF-HOCLYGCPSA-N 2 1 279.428 1.533 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001279396015 944798371 /nfs/dbraw/zinc/79/83/71/944798371.db2.gz QBQGCACYKGQAOP-OAGGEKHMSA-N 2 1 293.455 1.683 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)[C@@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001278450080 948199901 /nfs/dbraw/zinc/19/99/01/948199901.db2.gz BAFXJEYANWIIMD-FMKPAKJESA-N 2 1 277.412 1.073 10 30 CDEEMP C=CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001278689598 951722972 /nfs/dbraw/zinc/72/29/72/951722972.db2.gz FIIMMISBSKETKK-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C#CC[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001324648497 953496451 /nfs/dbraw/zinc/49/64/51/953496451.db2.gz URPYAVDKXSJPPR-MRXNPFEDSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648497 953496456 /nfs/dbraw/zinc/49/64/56/953496456.db2.gz URPYAVDKXSJPPR-MRXNPFEDSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001324648497 953496463 /nfs/dbraw/zinc/49/64/63/953496463.db2.gz URPYAVDKXSJPPR-MRXNPFEDSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CCC[NH+]1CC[C@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001325920220 954142844 /nfs/dbraw/zinc/14/28/44/954142844.db2.gz XQCRTGYBUFVOEB-CVEARBPZSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920220 954142854 /nfs/dbraw/zinc/14/28/54/954142854.db2.gz XQCRTGYBUFVOEB-CVEARBPZSA-N 2 1 291.439 1.415 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001325920220 954142860 /nfs/dbraw/zinc/14/28/60/954142860.db2.gz XQCRTGYBUFVOEB-CVEARBPZSA-N 2 1 291.439 1.415 10 30 CDEEMP CC#CC[N@@H+](C)CCCN(C)C(=O)C[NH+](C)C(C)C ZINC001327290528 954815132 /nfs/dbraw/zinc/81/51/32/954815132.db2.gz FRCLAQMLMMCUKN-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001327290528 954815142 /nfs/dbraw/zinc/81/51/42/954815142.db2.gz FRCLAQMLMMCUKN-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP CC#CC[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001327290528 954815150 /nfs/dbraw/zinc/81/51/50/954815150.db2.gz FRCLAQMLMMCUKN-UHFFFAOYSA-N 2 1 267.417 1.130 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001329170581 955732923 /nfs/dbraw/zinc/73/29/23/955732923.db2.gz IOASSMHXFLKECD-STQMWFEESA-N 2 1 255.406 1.387 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001494021975 972163968 /nfs/dbraw/zinc/16/39/68/972163968.db2.gz QCHGMUNUGGPBHS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001494021975 972163975 /nfs/dbraw/zinc/16/39/75/972163975.db2.gz QCHGMUNUGGPBHS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C2CCC2)C1 ZINC001494021975 972163979 /nfs/dbraw/zinc/16/39/79/972163979.db2.gz QCHGMUNUGGPBHS-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001317487334 956682591 /nfs/dbraw/zinc/68/25/91/956682591.db2.gz LAONMIWLLIHTKV-AWEZNQCLSA-N 2 1 267.417 1.342 10 30 CDEEMP C=CCCC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001316798168 957018960 /nfs/dbraw/zinc/01/89/60/957018960.db2.gz XGOUUYBBYRHKGG-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001316798168 957018972 /nfs/dbraw/zinc/01/89/72/957018972.db2.gz XGOUUYBBYRHKGG-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001316798168 957018984 /nfs/dbraw/zinc/01/89/84/957018984.db2.gz XGOUUYBBYRHKGG-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC[C@H](C)F ZINC001316829184 957053794 /nfs/dbraw/zinc/05/37/94/957053794.db2.gz ORUFNBCKEFKKFZ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC[C@H](C)F ZINC001316829184 957053804 /nfs/dbraw/zinc/05/38/04/957053804.db2.gz ORUFNBCKEFKKFZ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC[C@H](C)F ZINC001316829184 957053814 /nfs/dbraw/zinc/05/38/14/957053814.db2.gz ORUFNBCKEFKKFZ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC[C@H](C)F ZINC001316829184 957053829 /nfs/dbraw/zinc/05/38/29/957053829.db2.gz ORUFNBCKEFKKFZ-GJZGRUSLSA-N 2 1 297.418 1.270 10 30 CDEEMP C=CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316893206 957104360 /nfs/dbraw/zinc/10/43/60/957104360.db2.gz NHINGSUCLYQIHR-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001316893206 957104369 /nfs/dbraw/zinc/10/43/69/957104369.db2.gz NHINGSUCLYQIHR-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001316893206 957104381 /nfs/dbraw/zinc/10/43/81/957104381.db2.gz NHINGSUCLYQIHR-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001317155173 957309936 /nfs/dbraw/zinc/30/99/36/957309936.db2.gz RGPMGKFLGWXJBP-UONOGXRCSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317312728 957417171 /nfs/dbraw/zinc/41/71/71/957417171.db2.gz LBLUUCGUCBJGKZ-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH+]1CC[C@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001332099816 957432917 /nfs/dbraw/zinc/43/29/17/957432917.db2.gz LAGSETDOEXZDPW-NVXWUHKLSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001332099816 957432921 /nfs/dbraw/zinc/43/29/21/957432921.db2.gz LAGSETDOEXZDPW-NVXWUHKLSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[N@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001332099816 957432924 /nfs/dbraw/zinc/43/29/24/957432924.db2.gz LAGSETDOEXZDPW-NVXWUHKLSA-N 2 1 291.439 1.770 10 30 CDEEMP C#CCC[NH+]1CCC[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001332217116 957480751 /nfs/dbraw/zinc/48/07/51/957480751.db2.gz GJAZOSWHECSGHP-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001332217116 957480754 /nfs/dbraw/zinc/48/07/54/957480754.db2.gz GJAZOSWHECSGHP-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H]1C ZINC001332217116 957480756 /nfs/dbraw/zinc/48/07/56/957480756.db2.gz GJAZOSWHECSGHP-JKSUJKDBSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+](C)CCNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317452817 957486521 /nfs/dbraw/zinc/48/65/21/957486521.db2.gz IEOVVRMALJBRAN-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001317452817 957486526 /nfs/dbraw/zinc/48/65/26/957486526.db2.gz IEOVVRMALJBRAN-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](C)CCNC(=O)C(C)(C)[N@@H+](C)C1CCCC1 ZINC001317452817 957486528 /nfs/dbraw/zinc/48/65/28/957486528.db2.gz IEOVVRMALJBRAN-UHFFFAOYSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317792090 957667111 /nfs/dbraw/zinc/66/71/11/957667111.db2.gz HOPXTEXSGSQLRE-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)Cn2c[nH+]cc2C)C1 ZINC001317792090 957667116 /nfs/dbraw/zinc/66/71/16/957667116.db2.gz HOPXTEXSGSQLRE-OAHLLOKOSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001317810839 957674574 /nfs/dbraw/zinc/67/45/74/957674574.db2.gz GHUWBFNTMNMTAJ-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317810839 957674582 /nfs/dbraw/zinc/67/45/82/957674582.db2.gz GHUWBFNTMNMTAJ-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317810839 957674591 /nfs/dbraw/zinc/67/45/91/957674591.db2.gz GHUWBFNTMNMTAJ-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+]1CC(NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001318032695 957872605 /nfs/dbraw/zinc/87/26/05/957872605.db2.gz LETAFKOEHRKODJ-AWEZNQCLSA-N 2 1 267.417 1.339 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CNC(=O)Cn1c[nH+]cc1C)C(C)C ZINC001367473649 958042841 /nfs/dbraw/zinc/04/28/41/958042841.db2.gz PJDWYWUGXNKJJN-ZDUSSCGKSA-N 2 1 298.818 1.674 10 30 CDEEMP C=CCC[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001318446634 958108784 /nfs/dbraw/zinc/10/87/84/958108784.db2.gz WOSWMFLJWXRFNY-CVEARBPZSA-N 2 1 293.455 1.970 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001494987201 972363894 /nfs/dbraw/zinc/36/38/94/972363894.db2.gz HQKUKWCFLMJJSM-KGLIPLIRSA-N 2 1 267.417 1.531 10 30 CDEEMP CC#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001494985746 972365081 /nfs/dbraw/zinc/36/50/81/972365081.db2.gz BMNIUVMFVAVZBI-HUUCEWRRSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)C ZINC001319968703 958822906 /nfs/dbraw/zinc/82/29/06/958822906.db2.gz PTARHKVZMDTBSD-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)C ZINC001319968601 958825405 /nfs/dbraw/zinc/82/54/05/958825405.db2.gz PTARHKVZMDTBSD-HOTGVXAUSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001320009415 958866483 /nfs/dbraw/zinc/86/64/83/958866483.db2.gz IZGJZPKRCKXVMX-AWEZNQCLSA-N 2 1 269.433 1.539 10 30 CDEEMP C=CC[NH+]1CC[C@H]2CN(C(=O)CC[N@H+](C)CCC)CC[C@@H]21 ZINC001320113820 958946204 /nfs/dbraw/zinc/94/62/04/958946204.db2.gz ZXSZELGFRRCRIA-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001320113820 958946216 /nfs/dbraw/zinc/94/62/16/958946216.db2.gz ZXSZELGFRRCRIA-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+](C)CCC)CC[C@@H]21 ZINC001320113820 958946238 /nfs/dbraw/zinc/94/62/38/958946238.db2.gz ZXSZELGFRRCRIA-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001321057139 959563611 /nfs/dbraw/zinc/56/36/11/959563611.db2.gz NMGLFVWUSQRGMN-YVACAVLKSA-N 2 1 279.428 1.697 10 30 CDEEMP CC#CC[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001321097536 959591825 /nfs/dbraw/zinc/59/18/25/959591825.db2.gz OZKGLXJPSMPZBU-LLYBFZRZSA-N 2 1 277.412 1.146 10 30 CDEEMP C#CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322218106 960138105 /nfs/dbraw/zinc/13/81/05/960138105.db2.gz KEAOVVDOJFERHZ-AWEZNQCLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[NH2+]CCCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001322844204 960342745 /nfs/dbraw/zinc/34/27/45/960342745.db2.gz QKVLDYGBIRURCY-GASCZTMLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001419227568 961523738 /nfs/dbraw/zinc/52/37/38/961523738.db2.gz ZDROHAPXELPICJ-GFCCVEGCSA-N 2 1 284.791 1.428 10 30 CDEEMP C=C(Cl)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001440360332 963998652 /nfs/dbraw/zinc/99/86/52/963998652.db2.gz DIJKKJSPURQEMD-JOCQHMNTSA-N 2 1 287.835 1.564 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC001545988646 966623607 /nfs/dbraw/zinc/62/36/07/966623607.db2.gz OWCLWMGEVDHJNI-OAHLLOKOSA-N 2 1 281.444 1.588 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001351126656 966863894 /nfs/dbraw/zinc/86/38/94/966863894.db2.gz JCIAQYILKPUIDR-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH+](CC)CC ZINC001351126656 966863899 /nfs/dbraw/zinc/86/38/99/966863899.db2.gz JCIAQYILKPUIDR-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001495744090 972620433 /nfs/dbraw/zinc/62/04/33/972620433.db2.gz VVYSXVRKAMKWFE-TZMCWYRMSA-N 2 1 290.411 1.282 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001569653817 1169956241 /nfs/dbraw/zinc/95/62/41/1169956241.db2.gz VVWHVOMFARLPCT-MRXNPFEDSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001569653817 1169956246 /nfs/dbraw/zinc/95/62/46/1169956246.db2.gz VVWHVOMFARLPCT-MRXNPFEDSA-N 2 1 290.411 1.738 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001497884748 973565046 /nfs/dbraw/zinc/56/50/46/973565046.db2.gz CZVORRTXPSGTHR-CABCVRRESA-N 2 1 279.428 1.226 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001497993229 973603900 /nfs/dbraw/zinc/60/39/00/973603900.db2.gz NGFSCJCXNFGQTN-CYBMUJFWSA-N 2 1 255.406 1.387 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCCC1 ZINC001498055779 973652265 /nfs/dbraw/zinc/65/22/65/973652265.db2.gz WMUPLNWQSTYVPV-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCCC1 ZINC001498055779 973652270 /nfs/dbraw/zinc/65/22/70/973652270.db2.gz WMUPLNWQSTYVPV-HOCLYGCPSA-N 2 1 291.439 1.369 10 30 CDEEMP C=CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001498424302 973900947 /nfs/dbraw/zinc/90/09/47/973900947.db2.gz DRKBCZVPBGMFGI-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498424302 973900961 /nfs/dbraw/zinc/90/09/61/973900961.db2.gz DRKBCZVPBGMFGI-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001498424302 973900972 /nfs/dbraw/zinc/90/09/72/973900972.db2.gz DRKBCZVPBGMFGI-CABCVRRESA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498454867 973924742 /nfs/dbraw/zinc/92/47/42/973924742.db2.gz FQRSNPOSPIRHCY-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001498454867 973924747 /nfs/dbraw/zinc/92/47/47/973924747.db2.gz FQRSNPOSPIRHCY-KBPBESRZSA-N 2 1 292.427 1.983 10 30 CDEEMP CC#CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001569723464 1169975974 /nfs/dbraw/zinc/97/59/74/1169975974.db2.gz VQYMYGDSDTZLRJ-DOTOQJQBSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC)CC1 ZINC001500054752 974364192 /nfs/dbraw/zinc/36/41/92/974364192.db2.gz UBMROYBPPJVVDB-OAHLLOKOSA-N 2 1 291.439 1.274 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001500271216 974413638 /nfs/dbraw/zinc/41/36/38/974413638.db2.gz CFPKDOSFYMEVLJ-KRWDZBQOSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(Cl)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377671118 975107053 /nfs/dbraw/zinc/10/70/53/975107053.db2.gz PGZVLAUKXUFCOU-ZIAGYGMSSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001377671118 975107055 /nfs/dbraw/zinc/10/70/55/975107055.db2.gz PGZVLAUKXUFCOU-ZIAGYGMSSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001377671118 975107057 /nfs/dbraw/zinc/10/70/57/975107057.db2.gz PGZVLAUKXUFCOU-ZIAGYGMSSA-N 2 1 299.846 1.613 10 30 CDEEMP C=C(Cl)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001377671118 975107060 /nfs/dbraw/zinc/10/70/60/975107060.db2.gz PGZVLAUKXUFCOU-ZIAGYGMSSA-N 2 1 299.846 1.613 10 30 CDEEMP C#CC[N@H+](C)C1CCN(C(=O)[C@H](F)C[NH+](CC)CC)CC1 ZINC001506959215 975273112 /nfs/dbraw/zinc/27/31/12/975273112.db2.gz ZGVOZWQFNOBTPO-OAHLLOKOSA-N 2 1 297.418 1.222 10 30 CDEEMP CC#CC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001506986307 975285270 /nfs/dbraw/zinc/28/52/70/975285270.db2.gz JZOWUMNCDDLFTI-HZPDHXFCSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001398946100 976261748 /nfs/dbraw/zinc/26/17/48/976261748.db2.gz FOQYVZXKYDOSMR-CHWSQXEVSA-N 2 1 287.835 1.708 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001674457865 1173948551 /nfs/dbraw/zinc/94/85/51/1173948551.db2.gz OMSHFSVDMSYZJR-AWEZNQCLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001674907339 1174027586 /nfs/dbraw/zinc/02/75/86/1174027586.db2.gz HTTCYBWFJGSONL-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001674907339 1174027589 /nfs/dbraw/zinc/02/75/89/1174027589.db2.gz HTTCYBWFJGSONL-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001674907339 1174027593 /nfs/dbraw/zinc/02/75/93/1174027593.db2.gz HTTCYBWFJGSONL-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C(C)(C)C1 ZINC001570905505 1170316080 /nfs/dbraw/zinc/31/60/80/1170316080.db2.gz UVQFYLWMDAMQIM-HUUCEWRRSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001571297296 1170360995 /nfs/dbraw/zinc/36/09/95/1170360995.db2.gz QVYGRCSHQIAVJG-QWHCGFSZSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001656088071 1171763458 /nfs/dbraw/zinc/76/34/58/1171763458.db2.gz GDAVKQIBMQWYFJ-AWEZNQCLSA-N 2 1 279.428 1.437 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001657070685 1171921254 /nfs/dbraw/zinc/92/12/54/1171921254.db2.gz AJOOEYXMWPWUCC-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594448984 342909386 /nfs/dbraw/zinc/90/93/86/342909386.db2.gz AADCFKLJWHAFPS-AWEZNQCLSA-N 2 1 280.416 1.340 10 30 CDEEMP C#CCOc1ccc(C[NH2+]CCC[NH+](C)C)cc1OC ZINC000045946443 360038102 /nfs/dbraw/zinc/03/81/02/360038102.db2.gz GEXHLHPBGYMOEU-UHFFFAOYSA-N 2 1 276.380 1.749 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001661738564 1172437927 /nfs/dbraw/zinc/43/79/27/1172437927.db2.gz ILFAJBTUEYLHLR-KBPBESRZSA-N 2 1 267.417 1.341 10 30 CDEEMP CCC#C[C@@H](C)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325639 412895854 /nfs/dbraw/zinc/89/58/54/412895854.db2.gz OPTVAXAVQCFQFM-CABCVRRESA-N 2 1 252.402 1.831 10 30 CDEEMP CCC#C[C@@H](C)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325639 412895857 /nfs/dbraw/zinc/89/58/57/412895857.db2.gz OPTVAXAVQCFQFM-CABCVRRESA-N 2 1 252.402 1.831 10 30 CDEEMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011506 391241938 /nfs/dbraw/zinc/24/19/38/391241938.db2.gz UQYTWKUJLYYZNX-HNNXBMFYSA-N 2 1 265.401 1.580 10 30 CDEEMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCCC#N)C1 ZINC000339011506 391241941 /nfs/dbraw/zinc/24/19/41/391241941.db2.gz UQYTWKUJLYYZNX-HNNXBMFYSA-N 2 1 265.401 1.580 10 30 CDEEMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339011506 391241944 /nfs/dbraw/zinc/24/19/44/391241944.db2.gz UQYTWKUJLYYZNX-HNNXBMFYSA-N 2 1 265.401 1.580 10 30 CDEEMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOCCC#N)C1 ZINC000339011506 391241947 /nfs/dbraw/zinc/24/19/47/391241947.db2.gz UQYTWKUJLYYZNX-HNNXBMFYSA-N 2 1 265.401 1.580 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001663537030 1172719002 /nfs/dbraw/zinc/71/90/02/1172719002.db2.gz JDKZOIXCLHGANG-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663537030 1172719010 /nfs/dbraw/zinc/71/90/10/1172719010.db2.gz JDKZOIXCLHGANG-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001663537030 1172719015 /nfs/dbraw/zinc/71/90/15/1172719015.db2.gz JDKZOIXCLHGANG-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[C@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001664072602 1172806599 /nfs/dbraw/zinc/80/65/99/1172806599.db2.gz DLBGDJXIHKAGJQ-ZDUSSCGKSA-N 2 1 278.400 1.594 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000662694943 413328753 /nfs/dbraw/zinc/32/87/53/413328753.db2.gz FAOVEBTXLQPOPD-HLLBOEOZSA-N 2 1 293.455 1.921 10 30 CDEEMP C[N@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189131 176064620 /nfs/dbraw/zinc/06/46/20/176064620.db2.gz SFFSEPVDDJCZIN-ZBFHGGJFSA-N 2 1 273.380 1.475 10 30 CDEEMP C[N@@H+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000071189131 176064621 /nfs/dbraw/zinc/06/46/21/176064621.db2.gz SFFSEPVDDJCZIN-ZBFHGGJFSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000071189131 176064622 /nfs/dbraw/zinc/06/46/22/176064622.db2.gz SFFSEPVDDJCZIN-ZBFHGGJFSA-N 2 1 273.380 1.475 10 30 CDEEMP C[NH+](C[C@H](O)c1ccc(C#N)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000071189131 176064623 /nfs/dbraw/zinc/06/46/23/176064623.db2.gz SFFSEPVDDJCZIN-ZBFHGGJFSA-N 2 1 273.380 1.475 10 30 CDEEMP C=C(C)C[NH2+]C[C@@](C)(NC(=O)Cn1c[nH+]cc1C)C1CC1 ZINC001666011636 1173099469 /nfs/dbraw/zinc/09/94/69/1173099469.db2.gz LBKCFMCXLGPFGZ-MRXNPFEDSA-N 2 1 290.411 1.642 10 30 CDEEMP N#C[C@@H]1CCC[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C1 ZINC000333616997 228207125 /nfs/dbraw/zinc/20/71/25/228207125.db2.gz SVRXRRDWDRWLDR-YPMHNXCESA-N 2 1 288.399 1.444 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001666808851 1173186449 /nfs/dbraw/zinc/18/64/49/1173186449.db2.gz QVEGLZNSRICYDR-UHFFFAOYSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+]C[C@]1(C)CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001671810096 1173713593 /nfs/dbraw/zinc/71/35/93/1173713593.db2.gz NQGMIVNIINMKBP-INIZCTEOSA-N 2 1 288.395 1.043 10 30 CDEEMP C[NH+]=C(N[C@@H]1C[C@H]1C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000262675075 330026173 /nfs/dbraw/zinc/02/61/73/330026173.db2.gz ABJOXOHPVRLFEG-YRGRVCCFSA-N 2 1 264.417 1.577 10 30 CDEEMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263270284 330051351 /nfs/dbraw/zinc/05/13/51/330051351.db2.gz OYZOCQAENICIFY-OLZOCXBDSA-N 2 1 264.417 1.708 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424167554 330309862 /nfs/dbraw/zinc/30/98/62/330309862.db2.gz CRCFYHXPJPBSCO-XQLPTFJDSA-N 2 1 250.386 1.794 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001267620218 1159545541 /nfs/dbraw/zinc/54/55/41/1159545541.db2.gz ZSNLPZZNJXUNCH-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001677603119 1174376063 /nfs/dbraw/zinc/37/60/63/1174376063.db2.gz HQQHPXBOMLQLKR-OAHLLOKOSA-N 2 1 289.423 1.100 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001677603119 1174376069 /nfs/dbraw/zinc/37/60/69/1174376069.db2.gz HQQHPXBOMLQLKR-OAHLLOKOSA-N 2 1 289.423 1.100 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001677603119 1174376074 /nfs/dbraw/zinc/37/60/74/1174376074.db2.gz HQQHPXBOMLQLKR-OAHLLOKOSA-N 2 1 289.423 1.100 10 30 CDEEMP C=CCCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001482115698 1159983556 /nfs/dbraw/zinc/98/35/56/1159983556.db2.gz OVBAJRXPASACIN-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678049604 482910797 /nfs/dbraw/zinc/91/07/97/482910797.db2.gz MQBSBAAGLANERK-KBMXLJTQSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000678049604 482910801 /nfs/dbraw/zinc/91/08/01/482910801.db2.gz MQBSBAAGLANERK-KBMXLJTQSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000678049604 482910808 /nfs/dbraw/zinc/91/08/08/482910808.db2.gz MQBSBAAGLANERK-KBMXLJTQSA-N 2 1 264.413 1.872 10 30 CDEEMP C=C(C)[C@H](CO)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000678049604 482910812 /nfs/dbraw/zinc/91/08/12/482910812.db2.gz MQBSBAAGLANERK-KBMXLJTQSA-N 2 1 264.413 1.872 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717472731 1180692659 /nfs/dbraw/zinc/69/26/59/1180692659.db2.gz QNHLLPMUQLAWJK-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717472731 1180692664 /nfs/dbraw/zinc/69/26/64/1180692664.db2.gz QNHLLPMUQLAWJK-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@H]1CNC(=O)CCC[NH+](C)C ZINC001731538560 1182441192 /nfs/dbraw/zinc/44/11/92/1182441192.db2.gz LXBSWPZKPYCVMC-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC(C)C[NH+]1CCN(CCCC[C@](C)([NH3+])C#N)CC1 ZINC000055081131 519725695 /nfs/dbraw/zinc/72/56/95/519725695.db2.gz MCOVKSYLBCKDKD-HNNXBMFYSA-N 2 1 266.433 1.671 10 30 CDEEMP CCc1[nH+]ccn1Cc1cc(C#CC[NH3+])ccc1OC ZINC000049610282 522586440 /nfs/dbraw/zinc/58/64/40/522586440.db2.gz UCZFDLPWSPCYJT-UHFFFAOYSA-N 2 1 269.348 1.813 10 30 CDEEMP CSc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1C#N ZINC000925772562 617645819 /nfs/dbraw/zinc/64/58/19/617645819.db2.gz IUXOXGRTEDHIAN-JTQLQIEISA-N 2 1 261.394 1.978 10 30 CDEEMP C=CCC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)[C@]1(C)CCCCO1 ZINC000902795120 625412456 /nfs/dbraw/zinc/41/24/56/625412456.db2.gz AIPSMKGXIPREJO-PMPSAXMXSA-N 2 1 284.444 1.793 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)NCCNc1cccc(C)[nH+]1 ZINC000900861720 623578220 /nfs/dbraw/zinc/57/82/20/623578220.db2.gz FARPZQZJAQMMSH-UHFFFAOYSA-N 2 1 276.384 1.426 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905096251 626636704 /nfs/dbraw/zinc/63/67/04/626636704.db2.gz LDKKPMXRUSPBKH-OAHLLOKOSA-N 2 1 282.428 1.283 10 30 CDEEMP C=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CC1 ZINC001670469710 1158612907 /nfs/dbraw/zinc/61/29/07/1158612907.db2.gz KVWIMVHESIQFPV-GJZGRUSLSA-N 2 1 279.428 1.530 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001266418063 1158539617 /nfs/dbraw/zinc/53/96/17/1158539617.db2.gz NSLVDDMEMUAYIL-UHFFFAOYSA-N 2 1 283.460 1.979 10 30 CDEEMP C=C(C)C[NH+](CC)CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001266418063 1158539621 /nfs/dbraw/zinc/53/96/21/1158539621.db2.gz NSLVDDMEMUAYIL-UHFFFAOYSA-N 2 1 283.460 1.979 10 30 CDEEMP C=CC[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]21 ZINC001699021131 1159206404 /nfs/dbraw/zinc/20/64/04/1159206404.db2.gz RASBNIJXZNEJSP-HUUCEWRRSA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001699021131 1159206407 /nfs/dbraw/zinc/20/64/07/1159206407.db2.gz RASBNIJXZNEJSP-HUUCEWRRSA-N 2 1 279.428 1.435 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C(C)C)CC[C@H]21 ZINC001699021131 1159206414 /nfs/dbraw/zinc/20/64/14/1159206414.db2.gz RASBNIJXZNEJSP-HUUCEWRRSA-N 2 1 279.428 1.435 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001481196569 1159552502 /nfs/dbraw/zinc/55/25/02/1159552502.db2.gz KPWADOLFUQFFLS-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001481196569 1159552504 /nfs/dbraw/zinc/55/25/04/1159552504.db2.gz KPWADOLFUQFFLS-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001481196569 1159552508 /nfs/dbraw/zinc/55/25/08/1159552508.db2.gz KPWADOLFUQFFLS-ZDUSSCGKSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC001670792815 1159819351 /nfs/dbraw/zinc/81/93/51/1159819351.db2.gz AHWSUHGFFLYWKZ-OAHLLOKOSA-N 2 1 291.439 1.818 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC001633647159 1166441181 /nfs/dbraw/zinc/44/11/81/1166441181.db2.gz AFAZLVBGNLRSLZ-HNNXBMFYSA-N 2 1 289.423 1.741 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001671201572 1167150792 /nfs/dbraw/zinc/15/07/92/1167150792.db2.gz BUJJOVJDCVXMEL-GASCZTMLSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCCC[NH+]1CC(N(C)C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001671201572 1167150795 /nfs/dbraw/zinc/15/07/95/1167150795.db2.gz BUJJOVJDCVXMEL-GASCZTMLSA-N 2 1 293.455 1.968 10 30 CDEEMP C=CCC[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001568311987 1169240122 /nfs/dbraw/zinc/24/01/22/1169240122.db2.gz FOAGUIGCIUFCCV-ZIAGYGMSSA-N 2 1 267.417 1.341 10 30 CDEEMP CC#CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001568433591 1169285574 /nfs/dbraw/zinc/28/55/74/1169285574.db2.gz DFSRAUHHNFWTDA-HOTGVXAUSA-N 2 1 293.455 1.567 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001570015714 1170059608 /nfs/dbraw/zinc/05/96/08/1170059608.db2.gz OLUNHYBKMHOZBX-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CC[NH2+][C@@H](C)[C@H](C)NC(=O)CCCn1cc[nH+]c1C ZINC001570639391 1170220306 /nfs/dbraw/zinc/22/03/06/1170220306.db2.gz MYDRSMRYYABFLG-STQMWFEESA-N 2 1 276.384 1.088 10 30 CDEEMP C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]2C1 ZINC001570958239 1170322328 /nfs/dbraw/zinc/32/23/28/1170322328.db2.gz MJSVJRMVLOLHHT-XQLPTFJDSA-N 2 1 279.428 1.053 10 30 CDEEMP C#CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@@H+]23)C1 ZINC001571129445 1170339056 /nfs/dbraw/zinc/33/90/56/1170339056.db2.gz HVSHMLZHSNJNDV-YHUYYLMFSA-N 2 1 289.423 1.121 10 30 CDEEMP CC#CC[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662871931 1172604990 /nfs/dbraw/zinc/60/49/90/1172604990.db2.gz AUCQESUOFKZYLN-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP CC#CC[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001662871931 1172604995 /nfs/dbraw/zinc/60/49/95/1172604995.db2.gz AUCQESUOFKZYLN-OAHLLOKOSA-N 2 1 288.395 1.138 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001664836208 1172918116 /nfs/dbraw/zinc/91/81/16/1172918116.db2.gz QPWMHBHLAPUUST-HOTGVXAUSA-N 2 1 293.455 1.520 10 30 CDEEMP C=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001668117129 1173370836 /nfs/dbraw/zinc/37/08/36/1173370836.db2.gz DCMWALWCKGJQBL-HUUCEWRRSA-N 2 1 281.444 1.777 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC)C1 ZINC001672810285 1173801651 /nfs/dbraw/zinc/80/16/51/1173801651.db2.gz MUIWRSSNCHMWAH-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC)C1 ZINC001672810285 1173801654 /nfs/dbraw/zinc/80/16/54/1173801654.db2.gz MUIWRSSNCHMWAH-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CCCC[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001674609045 1173966904 /nfs/dbraw/zinc/96/69/04/1173966904.db2.gz XZMRYVSDQAELCF-UHFFFAOYSA-N 2 1 290.411 1.642 10 30 CDEEMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001675343328 1174105307 /nfs/dbraw/zinc/10/53/07/1174105307.db2.gz NKBXDFJGBWHJEU-UKRRQHHQSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cc[nH+]c2C)C1 ZINC001676783153 1174271093 /nfs/dbraw/zinc/27/10/93/1174271093.db2.gz KBZQZHHUWKYTLT-JSGCOSHPSA-N 2 1 276.384 1.347 10 30 CDEEMP C=C(C)C[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001690458493 1175476219 /nfs/dbraw/zinc/47/62/19/1175476219.db2.gz DDTBOMXMIRMGDQ-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=C(C)C[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C ZINC001690458493 1175476222 /nfs/dbraw/zinc/47/62/22/1175476222.db2.gz DDTBOMXMIRMGDQ-HNNXBMFYSA-N 2 1 290.411 1.738 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001690757443 1175565010 /nfs/dbraw/zinc/56/50/10/1175565010.db2.gz JAGIVCRJKHBJHW-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001692368102 1175753762 /nfs/dbraw/zinc/75/37/62/1175753762.db2.gz HUKDGFVWFZSTHA-OAGGEKHMSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)[C@H]1C ZINC001692368102 1175753769 /nfs/dbraw/zinc/75/37/69/1175753769.db2.gz HUKDGFVWFZSTHA-OAGGEKHMSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CCC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001692368102 1175753776 /nfs/dbraw/zinc/75/37/76/1175753776.db2.gz HUKDGFVWFZSTHA-OAGGEKHMSA-N 2 1 291.439 1.463 10 30 CDEEMP C=C(C)C[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCC1 ZINC001698635058 1175881451 /nfs/dbraw/zinc/88/14/51/1175881451.db2.gz WFWFHQGNTWEDNE-OAHLLOKOSA-N 2 1 293.455 1.923 10 30 CDEEMP C#CCC[NH2+]C[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001698759926 1175921802 /nfs/dbraw/zinc/92/18/02/1175921802.db2.gz IOUURBQIXGCLCQ-KKUMJFAQSA-N 2 1 279.428 1.082 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001699460902 1176424884 /nfs/dbraw/zinc/42/48/84/1176424884.db2.gz UVUALDXSHVNBAT-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CCCC[NH2+]C[C@@H]1CCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699758364 1176610686 /nfs/dbraw/zinc/61/06/86/1176610686.db2.gz JHEUXLFJYOXMBT-HOTGVXAUSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001700203922 1176797801 /nfs/dbraw/zinc/79/78/01/1176797801.db2.gz WCGAYDGIMRFNRU-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CCC(C)C ZINC001700459530 1176948638 /nfs/dbraw/zinc/94/86/38/1176948638.db2.gz CVJYMXSVIAFZDO-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CCC(C)C ZINC001700459530 1176948645 /nfs/dbraw/zinc/94/86/45/1176948645.db2.gz CVJYMXSVIAFZDO-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(C)C ZINC001700459530 1176948653 /nfs/dbraw/zinc/94/86/53/1176948653.db2.gz CVJYMXSVIAFZDO-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(C)C ZINC001700459530 1176948658 /nfs/dbraw/zinc/94/86/58/1176948658.db2.gz CVJYMXSVIAFZDO-CVEARBPZSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[N@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001700531287 1176999602 /nfs/dbraw/zinc/99/96/02/1176999602.db2.gz LKDNEJVUWYRYRA-INIZCTEOSA-N 2 1 291.439 1.466 10 30 CDEEMP C=CCC[NH+]1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001700549531 1177009522 /nfs/dbraw/zinc/00/95/22/1177009522.db2.gz IZBRTZIESKTNJJ-GFCCVEGCSA-N 2 1 276.384 1.204 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001700780037 1177125961 /nfs/dbraw/zinc/12/59/61/1177125961.db2.gz ICBQGOSGORXEIG-ZDUSSCGKSA-N 2 1 255.406 1.339 10 30 CDEEMP CC#CC[N@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001707056512 1177930614 /nfs/dbraw/zinc/93/06/14/1177930614.db2.gz SWLVJXVWYHQMOS-HOTGVXAUSA-N 2 1 293.455 1.663 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](CC)[NH+](CC)CC ZINC001707056512 1177930621 /nfs/dbraw/zinc/93/06/21/1177930621.db2.gz SWLVJXVWYHQMOS-HOTGVXAUSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CC[NH+]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001713084053 1178355217 /nfs/dbraw/zinc/35/52/17/1178355217.db2.gz ITUBOKWVMILMBO-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001713084053 1178355225 /nfs/dbraw/zinc/35/52/25/1178355225.db2.gz ITUBOKWVMILMBO-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001713084053 1178355232 /nfs/dbraw/zinc/35/52/32/1178355232.db2.gz ITUBOKWVMILMBO-UONOGXRCSA-N 2 1 265.401 1.237 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001713266488 1178459536 /nfs/dbraw/zinc/45/95/36/1178459536.db2.gz YMPMXBXINQTECI-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713408300 1178542741 /nfs/dbraw/zinc/54/27/41/1178542741.db2.gz KXELHPRMGJDVHP-QLFBSQMISA-N 2 1 281.444 1.777 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001714004857 1178923535 /nfs/dbraw/zinc/92/35/35/1178923535.db2.gz XGLABXCGLQNAEO-KGLIPLIRSA-N 2 1 285.407 1.385 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001714373881 1179110553 /nfs/dbraw/zinc/11/05/53/1179110553.db2.gz CTOLKQXWXKVSSM-HNNXBMFYSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001714451636 1179144866 /nfs/dbraw/zinc/14/48/66/1179144866.db2.gz BMRRMKZJYIQBFY-HUUCEWRRSA-N 2 1 297.443 1.015 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001714451636 1179144870 /nfs/dbraw/zinc/14/48/70/1179144870.db2.gz BMRRMKZJYIQBFY-HUUCEWRRSA-N 2 1 297.443 1.015 10 30 CDEEMP C#CC[N@H+](C)CCNC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001714560619 1179216781 /nfs/dbraw/zinc/21/67/81/1179216781.db2.gz RSAHSURCKSGVOG-UHFFFAOYSA-N 2 1 287.407 1.086 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714569662 1179226696 /nfs/dbraw/zinc/22/66/96/1179226696.db2.gz ANDSLDPCNKDTDW-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C#CCC[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001714656354 1179303234 /nfs/dbraw/zinc/30/32/34/1179303234.db2.gz JXJDIJNETADIKC-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH+](CCNC(=O)C[N@H+](C)C(C)C)C1CC1 ZINC001714676444 1179316670 /nfs/dbraw/zinc/31/66/70/1179316670.db2.gz RIAYLVRFRHKHDQ-UHFFFAOYSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001714676444 1179316675 /nfs/dbraw/zinc/31/66/75/1179316675.db2.gz RIAYLVRFRHKHDQ-UHFFFAOYSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CC1 ZINC001714676444 1179316677 /nfs/dbraw/zinc/31/66/77/1179316677.db2.gz RIAYLVRFRHKHDQ-UHFFFAOYSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C(C)C ZINC001715441616 1179668177 /nfs/dbraw/zinc/66/81/77/1179668177.db2.gz ZOULQXXIJCXPBF-HUUCEWRRSA-N 2 1 279.428 1.177 10 30 CDEEMP C=CCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716479120 1180243073 /nfs/dbraw/zinc/24/30/73/1180243073.db2.gz ZCUBTXXURPNHAH-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716479120 1180243077 /nfs/dbraw/zinc/24/30/77/1180243077.db2.gz ZCUBTXXURPNHAH-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001716479120 1180243084 /nfs/dbraw/zinc/24/30/84/1180243084.db2.gz ZCUBTXXURPNHAH-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001716661674 1180345010 /nfs/dbraw/zinc/34/50/10/1180345010.db2.gz RICPOSRWCIVCME-OAHLLOKOSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@@H](C)C1 ZINC001716771213 1180407275 /nfs/dbraw/zinc/40/72/75/1180407275.db2.gz SNSOPRZQKYJBDA-ZFWWWQNUSA-N 2 1 288.395 1.184 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001717472731 1180692657 /nfs/dbraw/zinc/69/26/57/1180692657.db2.gz QNHLLPMUQLAWJK-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP C#CC[NH+](C)CCN(C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001717948637 1180940392 /nfs/dbraw/zinc/94/03/92/1180940392.db2.gz UOWXMGGDFZVRFH-JKSUJKDBSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[N@@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001717948637 1180940394 /nfs/dbraw/zinc/94/03/94/1180940394.db2.gz UOWXMGGDFZVRFH-JKSUJKDBSA-N 2 1 293.455 1.519 10 30 CDEEMP C#CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C(C)C ZINC001717948637 1180940399 /nfs/dbraw/zinc/94/03/99/1180940399.db2.gz UOWXMGGDFZVRFH-JKSUJKDBSA-N 2 1 293.455 1.519 10 30 CDEEMP C=CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)(C)C ZINC001717972241 1180952356 /nfs/dbraw/zinc/95/23/56/1180952356.db2.gz CHEIXXUKSZCMAV-ZIAGYGMSSA-N 2 1 281.444 1.635 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)CC1 ZINC001723551840 1181586546 /nfs/dbraw/zinc/58/65/46/1181586546.db2.gz JZOWOUVEPTVTTF-CYBMUJFWSA-N 2 1 288.395 1.178 10 30 CDEEMP C=CC[N@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001724859191 1181780966 /nfs/dbraw/zinc/78/09/66/1181780966.db2.gz ZHLLHZYKXXRQGN-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001724859191 1181780968 /nfs/dbraw/zinc/78/09/68/1181780968.db2.gz ZHLLHZYKXXRQGN-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=CC[NH+](C)CCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001724859191 1181780974 /nfs/dbraw/zinc/78/09/74/1181780974.db2.gz ZHLLHZYKXXRQGN-INIZCTEOSA-N 2 1 279.428 1.439 10 30 CDEEMP C=C(C)C[N@H+](C)C[C@H]1CCCN1C(=O)Cn1c[nH+]cc1C ZINC001725039663 1181830302 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1.731 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)CCC)CC1(C)C ZINC001725677189 1182094345 /nfs/dbraw/zinc/09/43/45/1182094345.db2.gz NGMGHWIUFJSDSE-HNNXBMFYSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001731515681 1182431886 /nfs/dbraw/zinc/43/18/86/1182431886.db2.gz GQDONOOJGMIXNV-LSDHHAIUSA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001731530724 1182437709 /nfs/dbraw/zinc/43/77/09/1182437709.db2.gz LNKPASNHBJYTIJ-HNNXBMFYSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001731535493 1182438459 /nfs/dbraw/zinc/43/84/59/1182438459.db2.gz GHJAVZFCPHOQHR-OAHLLOKOSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731622096 1182485597 /nfs/dbraw/zinc/48/55/97/1182485597.db2.gz IYLHLOIJIQVPOU-ZDUSSCGKSA-N 2 1 278.400 1.677 10 30 CDEEMP C=C(C)CC[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001731791407 1182583070 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CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001445651947 966261940 /nfs/dbraw/zinc/26/19/40/966261940.db2.gz ARLDCFPCFXNSDF-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C#CC[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496361021 972897368 /nfs/dbraw/zinc/89/73/68/972897368.db2.gz UVWFRXAMSXTODD-HUUCEWRRSA-N 2 1 293.455 1.424 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001497220684 973250012 /nfs/dbraw/zinc/25/00/12/973250012.db2.gz MYDSXHISCZHTOO-LBPRGKRZSA-N 2 1 294.399 1.410 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001498064455 973656365 /nfs/dbraw/zinc/65/63/65/973656365.db2.gz TWDSXSXHDWDODE-LBPRGKRZSA-N 2 1 294.399 1.410 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001498424303 973899982 /nfs/dbraw/zinc/89/99/82/973899982.db2.gz DRKBCZVPBGMFGI-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCCC[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001498424303 973899988 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/nfs/dbraw/zinc/35/95/42/975359542.db2.gz FSAXTOCXEBKNHX-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C#CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC001507435107 975470481 /nfs/dbraw/zinc/47/04/81/975470481.db2.gz KSKHEYIRBVGXRI-HNNXBMFYSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CC[NH2+]C1CC(N(C)C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001508115817 975614806 /nfs/dbraw/zinc/61/48/06/975614806.db2.gz UHIZCEMJWXQOLL-SHARSMKWSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001394366338 978142457 /nfs/dbraw/zinc/14/24/57/978142457.db2.gz HSQMFLIDGIEBHO-AVGNSLFASA-N 2 1 285.819 1.318 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001674926389 1174037873 /nfs/dbraw/zinc/03/78/73/1174037873.db2.gz ZEMZKCPMSLYNMV-DZGCQCFKSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001675458490 1174117367 /nfs/dbraw/zinc/11/73/67/1174117367.db2.gz LTUUXNGHSURXOT-ZDUSSCGKSA-N 2 1 276.384 1.355 10 30 CDEEMP C=CC[N@H+]1C[C@H](NC(=O)CCc2cnc[nH]2)C(C)(C)C1 ZINC001675458490 1174117372 /nfs/dbraw/zinc/11/73/72/1174117372.db2.gz LTUUXNGHSURXOT-ZDUSSCGKSA-N 2 1 276.384 1.355 10 30 CDEEMP C=CCC[N@H+](C)C1CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001676079602 1174179466 /nfs/dbraw/zinc/17/94/66/1174179466.db2.gz TXQAONVFXRGFMO-UHFFFAOYSA-N 2 1 290.411 1.760 10 30 CDEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001677399950 1174358659 /nfs/dbraw/zinc/35/86/59/1174358659.db2.gz YPECCBNZUWAHAD-PRLABOORSA-N 2 1 293.455 1.872 10 30 CDEEMP CC#CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001570538705 1170182680 /nfs/dbraw/zinc/18/26/80/1170182680.db2.gz RTCYHCGIMZXNQK-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001570538705 1170182682 /nfs/dbraw/zinc/18/26/82/1170182682.db2.gz RTCYHCGIMZXNQK-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP CC#CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001570538705 1170182686 /nfs/dbraw/zinc/18/26/86/1170182686.db2.gz RTCYHCGIMZXNQK-HOTGVXAUSA-N 2 1 291.439 1.417 10 30 CDEEMP C=CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545738 1170184715 /nfs/dbraw/zinc/18/47/15/1170184715.db2.gz WZZTWSDYFANCRG-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570545738 1170184717 /nfs/dbraw/zinc/18/47/17/1170184717.db2.gz WZZTWSDYFANCRG-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCCC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570545738 1170184718 /nfs/dbraw/zinc/18/47/18/1170184718.db2.gz WZZTWSDYFANCRG-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C#CCC[NH+](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001571334121 1170369744 /nfs/dbraw/zinc/36/97/44/1170369744.db2.gz MPCCPRBYYQNGBB-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001571334121 1170369753 /nfs/dbraw/zinc/36/97/53/1170369753.db2.gz MPCCPRBYYQNGBB-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CCC[N@H+](C)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001571334121 1170369760 /nfs/dbraw/zinc/36/97/60/1170369760.db2.gz MPCCPRBYYQNGBB-HNNXBMFYSA-N 2 1 291.439 1.274 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001571388045 1170403231 /nfs/dbraw/zinc/40/32/31/1170403231.db2.gz IGTGGRVDOHGWRH-RBSFLKMASA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001571392045 1170407164 /nfs/dbraw/zinc/40/71/64/1170407164.db2.gz ODURDPSCTBYOKI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292096474 198160877 /nfs/dbraw/zinc/16/08/77/198160877.db2.gz HJWHHLRWCTXJDE-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccccc3C#N)C2)C1 ZINC000292096474 198160878 /nfs/dbraw/zinc/16/08/78/198160878.db2.gz HJWHHLRWCTXJDE-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292096474 198160879 /nfs/dbraw/zinc/16/08/79/198160879.db2.gz HJWHHLRWCTXJDE-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccccc3C#N)C2)C1 ZINC000292096474 198160881 /nfs/dbraw/zinc/16/08/81/198160881.db2.gz HJWHHLRWCTXJDE-KRWDZBQOSA-N 2 1 285.391 1.965 10 30 CDEEMP C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000677480882 482683348 /nfs/dbraw/zinc/68/33/48/482683348.db2.gz WRTXBWDPFZLINP-HUUCEWRRSA-N 2 1 252.402 1.731 10 30 CDEEMP C=C(C)[C@@H](CO)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000677480882 482683355 /nfs/dbraw/zinc/68/33/55/482683355.db2.gz WRTXBWDPFZLINP-HUUCEWRRSA-N 2 1 252.402 1.731 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)C[C@](C)(O)C2CC2)CC1 ZINC000634703031 357374433 /nfs/dbraw/zinc/37/44/33/357374433.db2.gz OOEQCPTVUSZHGI-CVEARBPZSA-N 2 1 282.428 1.138 10 30 CDEEMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600720360 358704993 /nfs/dbraw/zinc/70/49/93/358704993.db2.gz OUDOQTIFLPROTQ-GXTWGEPZSA-N 2 1 276.384 1.472 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000639018524 377130410 /nfs/dbraw/zinc/13/04/10/377130410.db2.gz MNKWVCZUWXNTAE-ZBFHGGJFSA-N 2 1 279.428 1.483 10 30 CDEEMP C=CC[C@@]1(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)CCC[NH2+]1 ZINC000639018524 377130418 /nfs/dbraw/zinc/13/04/18/377130418.db2.gz MNKWVCZUWXNTAE-ZBFHGGJFSA-N 2 1 279.428 1.483 10 30 CDEEMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000247556234 377151361 /nfs/dbraw/zinc/15/13/61/377151361.db2.gz ZQUWUDVFMVALHV-HOCLYGCPSA-N 2 1 289.423 1.027 10 30 CDEEMP C=CCc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc(OC)c1O ZINC000415014784 391724192 /nfs/dbraw/zinc/72/41/92/391724192.db2.gz XMBONENUUAYOCY-GHMZBOCLSA-N 2 1 264.369 1.955 10 30 CDEEMP C=C(C)C[N@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663537029 1172718239 /nfs/dbraw/zinc/71/82/39/1172718239.db2.gz JDKZOIXCLHGANG-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001663537029 1172718243 /nfs/dbraw/zinc/71/82/43/1172718243.db2.gz JDKZOIXCLHGANG-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C=C(C)C[NH+]1CCC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001663537029 1172718235 /nfs/dbraw/zinc/71/82/35/1172718235.db2.gz JDKZOIXCLHGANG-HUUCEWRRSA-N 2 1 279.428 1.485 10 30 CDEEMP C[N@H+](Cc1cnc2ccc(C#N)cn12)CC1CC[NH+](C)CC1 ZINC000093088871 147035920 /nfs/dbraw/zinc/03/59/20/147035920.db2.gz DICDHGGUIHGURD-UHFFFAOYSA-N 2 1 297.406 1.980 10 30 CDEEMP C#CCC[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001664009459 1172800691 /nfs/dbraw/zinc/80/06/91/1172800691.db2.gz YLLSQECFHLTBKH-LSDHHAIUSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001664872658 1172922099 /nfs/dbraw/zinc/92/20/99/1172922099.db2.gz HAAUWOROFBWTIE-QWHCGFSZSA-N 2 1 254.374 1.071 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1COC(C)(C)O1 ZINC001664872658 1172922105 /nfs/dbraw/zinc/92/21/05/1172922105.db2.gz HAAUWOROFBWTIE-QWHCGFSZSA-N 2 1 254.374 1.071 10 30 CDEEMP C=CC[C@]1(C(=O)NCC[N@H+](C)C2CCCC2)CCC[NH2+]1 ZINC000662721303 413382528 /nfs/dbraw/zinc/38/25/28/413382528.db2.gz TXRKRIMBXOWBSC-MRXNPFEDSA-N 2 1 279.428 1.675 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001665227384 1172965523 /nfs/dbraw/zinc/96/55/23/1172965523.db2.gz CURZBRVXVUFHRL-CHWSQXEVSA-N 2 1 265.401 1.093 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+]2CCCCC2)C1 ZINC001665686141 1173038774 /nfs/dbraw/zinc/03/87/74/1173038774.db2.gz DKHGDWRDIIGGMN-HNNXBMFYSA-N 2 1 279.428 1.581 10 30 CDEEMP C=CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)COC ZINC000662298814 414623987 /nfs/dbraw/zinc/62/39/87/414623987.db2.gz HGHLBZRZHKHBJE-STQMWFEESA-N 2 1 254.374 1.030 10 30 CDEEMP C[NH+](C)C1CC[NH+](CCC[C@@](C)(C#N)NC2CC2)CC1 ZINC000045311128 175356774 /nfs/dbraw/zinc/35/67/74/175356774.db2.gz WSRPKESCBFHYKV-INIZCTEOSA-N 2 1 278.444 1.827 10 30 CDEEMP C=CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001665964243 1173093389 /nfs/dbraw/zinc/09/33/89/1173093389.db2.gz QWPVPLWRCQUXNH-CYBMUJFWSA-N 2 1 265.401 1.143 10 30 CDEEMP C=CCCC[N@H+]1CCO[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001666708212 1173176601 /nfs/dbraw/zinc/17/66/01/1173176601.db2.gz LVBSSRKNDQSHAL-LSDHHAIUSA-N 2 1 297.443 1.110 10 30 CDEEMP C=C(C)CC[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001667520292 1173279767 /nfs/dbraw/zinc/27/97/67/1173279767.db2.gz YPDCYBSEDRDJGH-OAHLLOKOSA-N 2 1 292.427 1.888 10 30 CDEEMP C#CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)CC(C)(C)C ZINC001667751634 1173319752 /nfs/dbraw/zinc/31/97/52/1173319752.db2.gz LXCWUWRUKIGRQL-GJZGRUSLSA-N 2 1 293.455 1.472 10 30 CDEEMP N#Cc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000563212467 293314066 /nfs/dbraw/zinc/31/40/66/293314066.db2.gz XSIYTMQRNNHAGI-UHFFFAOYSA-N 2 1 298.434 1.864 10 30 CDEEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCC#N)C2)CC1 ZINC000174892906 329164155 /nfs/dbraw/zinc/16/41/55/329164155.db2.gz XOCQKXSPCOGDKZ-OAHLLOKOSA-N 2 1 264.417 1.392 10 30 CDEEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCC#N)C2)CC1 ZINC000174892906 329164157 /nfs/dbraw/zinc/16/41/57/329164157.db2.gz XOCQKXSPCOGDKZ-OAHLLOKOSA-N 2 1 264.417 1.392 10 30 CDEEMP C=CCNC(=O)[C@H](C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000105876021 329535395 /nfs/dbraw/zinc/53/53/95/329535395.db2.gz SQOQXHMNYYMPQD-ZDUSSCGKSA-N 2 1 290.411 1.365 10 30 CDEEMP C[N@@H+]1CC=C(CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000263155718 330046335 /nfs/dbraw/zinc/04/63/35/330046335.db2.gz NDIWSKDQIJXRCW-UHFFFAOYSA-N 2 1 278.425 1.457 10 30 CDEEMP C#CC[NH+](CCNC(=O)C[N@H+](C)CC(C)(C)C)C1CC1 ZINC001481186746 1159550342 /nfs/dbraw/zinc/55/03/42/1159550342.db2.gz WKQBSSZFYOBHJK-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186746 1159550346 /nfs/dbraw/zinc/55/03/46/1159550346.db2.gz WKQBSSZFYOBHJK-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[N@H+](CCNC(=O)C[NH+](C)CC(C)(C)C)C1CC1 ZINC001481186746 1159550352 /nfs/dbraw/zinc/55/03/52/1159550352.db2.gz WKQBSSZFYOBHJK-UHFFFAOYSA-N 2 1 279.428 1.178 10 30 CDEEMP C#CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C(C)C ZINC001482555860 1160390165 /nfs/dbraw/zinc/39/01/65/1160390165.db2.gz CXOAMKOULXLXLN-CVEARBPZSA-N 2 1 293.455 1.613 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001691567306 1160701421 /nfs/dbraw/zinc/70/14/21/1160701421.db2.gz XLDOHNMWJNXDGV-CABCVRRESA-N 2 1 291.439 1.295 10 30 CDEEMP C#CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC001483257601 1160883855 /nfs/dbraw/zinc/88/38/55/1160883855.db2.gz GQFQTMAIAKDYDJ-HOCLYGCPSA-N 2 1 291.439 1.511 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649167 1161316854 /nfs/dbraw/zinc/31/68/54/1161316854.db2.gz HEPOVDMNGDYMRZ-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649167 1161316861 /nfs/dbraw/zinc/31/68/61/1161316861.db2.gz HEPOVDMNGDYMRZ-OAHLLOKOSA-N 2 1 290.411 1.690 10 30 CDEEMP C=C(C)CC[NH+](C)CCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001715522652 1179697942 /nfs/dbraw/zinc/69/79/42/1179697942.db2.gz NYYYDLOOYRXACC-OAHLLOKOSA-N 2 1 281.444 1.827 10 30 CDEEMP CC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[N@H+](C)CCC ZINC001717749837 1180826957 /nfs/dbraw/zinc/82/69/57/1180826957.db2.gz AWEYOVWCPCTDLF-AWEZNQCLSA-N 2 1 267.417 1.178 10 30 CDEEMP CC#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001717954312 1180944648 /nfs/dbraw/zinc/94/46/48/1180944648.db2.gz DHOUDQVIKVATBW-KBPBESRZSA-N 2 1 279.428 1.224 10 30 CDEEMP CC#CC[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001677636848 1174381256 /nfs/dbraw/zinc/38/12/56/1174381256.db2.gz YFFTXUFKTZAJCT-UHFFFAOYSA-N 2 1 277.412 1.098 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001677636848 1174381263 /nfs/dbraw/zinc/38/12/63/1174381263.db2.gz YFFTXUFKTZAJCT-UHFFFAOYSA-N 2 1 277.412 1.098 10 30 CDEEMP CC#CC[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001677636848 1174381270 /nfs/dbraw/zinc/38/12/70/1174381270.db2.gz YFFTXUFKTZAJCT-UHFFFAOYSA-N 2 1 277.412 1.098 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@H+]2CCC[C@H]2CCCO)c1 ZINC000052763104 527156267 /nfs/dbraw/zinc/15/62/67/527156267.db2.gz XRCMCLYPVNWXPQ-AWEZNQCLSA-N 2 1 278.421 1.795 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)[C@H]1C ZINC001689317112 1175144747 /nfs/dbraw/zinc/14/47/47/1175144747.db2.gz WEQGMKHELKFOKT-OWCLPIDISA-N 2 1 293.455 1.709 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621151 613785168 /nfs/dbraw/zinc/78/51/68/613785168.db2.gz PDJOKEAYNBIHQF-KGLIPLIRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(CC[NH+](C)C)C(=O)N1CC[N@H+](CC)C[C@H]1CC ZINC000909207988 628569119 /nfs/dbraw/zinc/56/91/19/628569119.db2.gz HQOXUUVKOWRCLG-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)C(C)C)C1 ZINC001266896390 1158967541 /nfs/dbraw/zinc/96/75/41/1158967541.db2.gz AMHCLFTVWLTXQG-GJZGRUSLSA-N 2 1 281.444 1.729 10 30 CDEEMP 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CDEEMP C=C(C)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001713362270 1178521495 /nfs/dbraw/zinc/52/14/95/1178521495.db2.gz VJQBGIFWBYVIBN-CQSZACIVSA-N 2 1 267.417 1.342 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)Cn1ccnc1C)C(C)C ZINC001713695003 1178712517 /nfs/dbraw/zinc/71/25/17/1178712517.db2.gz CPHZLDZERNQZKO-UHFFFAOYSA-N 2 1 292.427 1.984 10 30 CDEEMP C=C(C)C[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001713695003 1178712520 /nfs/dbraw/zinc/71/25/20/1178712520.db2.gz CPHZLDZERNQZKO-UHFFFAOYSA-N 2 1 292.427 1.984 10 30 CDEEMP C=C(C)C[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001713695003 1178712525 /nfs/dbraw/zinc/71/25/25/1178712525.db2.gz CPHZLDZERNQZKO-UHFFFAOYSA-N 2 1 292.427 1.984 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001713734138 1178728822 /nfs/dbraw/zinc/72/88/22/1178728822.db2.gz CSFMPUGULNDYSA-HZPDHXFCSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713753114 1178737700 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CDEEMP CC#CC[NH+]1CCC(C)(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001733360501 1183409457 /nfs/dbraw/zinc/40/94/57/1183409457.db2.gz VLULJDMGSXHCHI-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001733879590 1183557386 /nfs/dbraw/zinc/55/73/86/1183557386.db2.gz SIZDEGIOOOGYBV-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733879590 1183557390 /nfs/dbraw/zinc/55/73/90/1183557390.db2.gz SIZDEGIOOOGYBV-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733879590 1183557392 /nfs/dbraw/zinc/55/73/92/1183557392.db2.gz SIZDEGIOOOGYBV-CQSZACIVSA-N 2 1 281.444 1.729 10 30 CDEEMP C=C(C)C[NH2+][C@H](C)[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001734001574 1183609750 /nfs/dbraw/zinc/60/97/50/1183609750.db2.gz OFQZRVLQYMMITN-OLZOCXBDSA-N 2 1 255.406 1.387 10 30 CDEEMP C=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001734359308 1183747414 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C=C(C)C[N@H+](CC)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001567347998 1168693474 /nfs/dbraw/zinc/69/34/74/1168693474.db2.gz QMAXSJWGLVYGCF-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C#CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001266473019 895015701 /nfs/dbraw/zinc/01/57/01/895015701.db2.gz UXPZVDMFJCTDCU-MRXNPFEDSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001266880866 896266428 /nfs/dbraw/zinc/26/64/28/896266428.db2.gz QABBCNXOYMYAHH-GJZGRUSLSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001267217419 897180132 /nfs/dbraw/zinc/18/01/32/897180132.db2.gz GOCHEMMPRVJWRN-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001267217419 897180139 /nfs/dbraw/zinc/18/01/39/897180139.db2.gz GOCHEMMPRVJWRN-GJZGRUSLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001267217419 897180143 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ZINC001333042618 958038912 /nfs/dbraw/zinc/03/89/12/958038912.db2.gz ILNFESCDBVJTMV-YMAMQOFZSA-N 2 1 279.428 1.626 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC001319758218 958713877 /nfs/dbraw/zinc/71/38/77/958713877.db2.gz MKUWCXCYZPYGRU-KBPBESRZSA-N 2 1 263.385 1.612 10 30 CDEEMP C=C(C)C[NH2+]CCN(CC)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001320819281 959410663 /nfs/dbraw/zinc/41/06/63/959410663.db2.gz PZOTXYFRELDMNV-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001322243180 960149913 /nfs/dbraw/zinc/14/99/13/960149913.db2.gz CMQVHDATJUCONY-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001322243180 960149917 /nfs/dbraw/zinc/14/99/17/960149917.db2.gz CMQVHDATJUCONY-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001322243180 960149920 /nfs/dbraw/zinc/14/99/20/960149920.db2.gz CMQVHDATJUCONY-HUUCEWRRSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001420014253 962367581 /nfs/dbraw/zinc/36/75/81/962367581.db2.gz MALXCKFNRGRMMA-OLZOCXBDSA-N 2 1 285.819 1.129 10 30 CDEEMP C=CCC[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC001460887468 969559925 /nfs/dbraw/zinc/55/99/25/969559925.db2.gz UVXNHZJVCJUYGR-LSDHHAIUSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCC[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC001460887468 969559928 /nfs/dbraw/zinc/55/99/28/969559928.db2.gz UVXNHZJVCJUYGR-LSDHHAIUSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCC[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC001460887468 969559932 /nfs/dbraw/zinc/55/99/32/969559932.db2.gz UVXNHZJVCJUYGR-LSDHHAIUSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCC[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC001460887468 969559937 /nfs/dbraw/zinc/55/99/37/969559937.db2.gz UVXNHZJVCJUYGR-LSDHHAIUSA-N 2 1 252.402 1.872 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@@H]12 ZINC001515597360 969903710 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ZINC001674480107 1173951470 /nfs/dbraw/zinc/95/14/70/1173951470.db2.gz BZHATIMQRHNRJJ-JYJNAYRXSA-N 2 1 293.455 1.826 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1 ZINC001675756498 1174145395 /nfs/dbraw/zinc/14/53/95/1174145395.db2.gz RTFTUADVLIELFA-JYJNAYRXSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(C)C)C1 ZINC001675756498 1174145400 /nfs/dbraw/zinc/14/54/00/1174145400.db2.gz RTFTUADVLIELFA-JYJNAYRXSA-N 2 1 291.439 1.224 10 30 CDEEMP C#CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[N@H+](C)C(C)C ZINC001569914641 1170038008 /nfs/dbraw/zinc/03/80/08/1170038008.db2.gz IERUXVKCECUSJK-HUUCEWRRSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569914641 1170038012 /nfs/dbraw/zinc/03/80/12/1170038012.db2.gz IERUXVKCECUSJK-HUUCEWRRSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)C(C)C ZINC001569914641 1170038021 /nfs/dbraw/zinc/03/80/21/1170038021.db2.gz IERUXVKCECUSJK-HUUCEWRRSA-N 2 1 277.412 1.025 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)(C)C ZINC001571632973 1170502841 /nfs/dbraw/zinc/50/28/41/1170502841.db2.gz GABIQYJLZWBJHZ-HUUCEWRRSA-N 2 1 293.455 1.472 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001656169822 1171781553 /nfs/dbraw/zinc/78/15/53/1171781553.db2.gz GHCIMWPTHLODSI-OKILXGFUSA-N 2 1 267.417 1.389 10 30 CDEEMP N#Cc1cnccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592494263 342696760 /nfs/dbraw/zinc/69/67/60/342696760.db2.gz OIEKELLMSPEWGH-ZIAGYGMSSA-N 2 1 270.380 1.775 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600720433 342244740 /nfs/dbraw/zinc/24/47/40/342244740.db2.gz HBZXQJXGDNAFBG-CQSZACIVSA-N 2 1 263.385 1.281 10 30 CDEEMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000595935507 343201291 /nfs/dbraw/zinc/20/12/91/343201291.db2.gz DVJIEOGTGQNODT-UONOGXRCSA-N 2 1 294.443 1.634 10 30 CDEEMP C[C@@H](C[C@](C)(N)C#N)[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000084295075 178847310 /nfs/dbraw/zinc/84/73/10/178847310.db2.gz UCQOJALUBNRQLW-JSGCOSHPSA-N 2 1 252.406 1.280 10 30 CDEEMP C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617502565 345674765 /nfs/dbraw/zinc/67/47/65/345674765.db2.gz USMLVLQVSJTBAN-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=C(C)C(C)(C)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617502565 345674766 /nfs/dbraw/zinc/67/47/66/345674766.db2.gz USMLVLQVSJTBAN-AWEZNQCLSA-N 2 1 283.460 1.977 10 30 CDEEMP C=CC[NH+]1CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C2CC2)CC1 ZINC000634703034 357374791 /nfs/dbraw/zinc/37/47/91/357374791.db2.gz OOEQCPTVUSZHGI-JKSUJKDBSA-N 2 1 282.428 1.138 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634721404 357457840 /nfs/dbraw/zinc/45/78/40/357457840.db2.gz YFNQKIKCVBLJCH-IAGOWNOFSA-N 2 1 290.407 1.150 10 30 CDEEMP C=CC[C@H](CO)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634721404 357457846 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10 30 CDEEMP C[C@@H](CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000575062831 335060987 /nfs/dbraw/zinc/06/09/87/335060987.db2.gz AQMZVFPRSISENV-JKSUJKDBSA-N 2 1 278.444 1.781 10 30 CDEEMP C[C@@H](CCC#N)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000575062831 335060988 /nfs/dbraw/zinc/06/09/88/335060988.db2.gz AQMZVFPRSISENV-JKSUJKDBSA-N 2 1 278.444 1.781 10 30 CDEEMP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000071147071 176043232 /nfs/dbraw/zinc/04/32/32/176043232.db2.gz BVCCOJOIVYEHTM-NSHDSACASA-N 2 1 292.408 1.490 10 30 CDEEMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2sccc2C#N)C1 ZINC000071147071 176043235 /nfs/dbraw/zinc/04/32/35/176043235.db2.gz BVCCOJOIVYEHTM-NSHDSACASA-N 2 1 292.408 1.490 10 30 CDEEMP C=CC[C@]1(C(=O)N[C@H]2CC[N@@H+](C)[C@H](C)C2)CCC[NH2+]1 ZINC000662732595 424385328 /nfs/dbraw/zinc/38/53/28/424385328.db2.gz YHZDJTUTPVGZKL-VNHYZAJKSA-N 2 1 265.401 1.284 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](CCC)C2)CCC[NH2+]1 ZINC000662910266 424557308 /nfs/dbraw/zinc/55/73/08/424557308.db2.gz MZERZCVLQOBGIZ-ZFWWWQNUSA-N 2 1 265.401 1.285 10 30 CDEEMP C=CCC[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001667549160 1173287736 /nfs/dbraw/zinc/28/77/36/1173287736.db2.gz LUZDOKXOBYZSNX-GJZGRUSLSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001667549160 1173287745 /nfs/dbraw/zinc/28/77/45/1173287745.db2.gz LUZDOKXOBYZSNX-GJZGRUSLSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001667549160 1173287749 /nfs/dbraw/zinc/28/77/49/1173287749.db2.gz LUZDOKXOBYZSNX-GJZGRUSLSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCC[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001667549160 1173287755 /nfs/dbraw/zinc/28/77/55/1173287755.db2.gz LUZDOKXOBYZSNX-GJZGRUSLSA-N 2 1 297.443 1.062 10 30 CDEEMP C#CC[NH+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001671648370 1173699677 /nfs/dbraw/zinc/69/96/77/1173699677.db2.gz GSCRVLQRLGBNEE-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671648370 1173699682 /nfs/dbraw/zinc/69/96/82/1173699682.db2.gz GSCRVLQRLGBNEE-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[N@@H+]1CC[C@@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001671648370 1173699685 /nfs/dbraw/zinc/69/96/85/1173699685.db2.gz GSCRVLQRLGBNEE-GDBMZVCRSA-N 2 1 277.412 1.075 10 30 CDEEMP C[NH+]=C(NC[C@@H]1C[N@@H+](CC(C)C)CCO1)N[C@@H]1CC1(C)C ZINC000262205842 330004038 /nfs/dbraw/zinc/00/40/38/330004038.db2.gz IBVWVXFBRLXODD-ZIAGYGMSSA-N 2 1 296.459 1.307 10 30 CDEEMP C[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)[N@H+]1CCCC[C@@H]1C ZINC000262427177 330009696 /nfs/dbraw/zinc/00/96/96/330009696.db2.gz CZCACYIHYOONCJ-BFHYXJOUSA-N 2 1 282.432 1.285 10 30 CDEEMP C[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000262491139 330017347 /nfs/dbraw/zinc/01/73/47/330017347.db2.gz VAJFBLLSFQVFGG-MCIONIFRSA-N 2 1 282.432 1.142 10 30 CDEEMP C[NH+]=C(NC1CCC1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000262764320 330029901 /nfs/dbraw/zinc/02/99/01/330029901.db2.gz FIWICNCWUSFOEH-ZDUSSCGKSA-N 2 1 264.417 1.721 10 30 CDEEMP C=C(C)C[NH+](C)CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001267204426 1159175242 /nfs/dbraw/zinc/17/52/42/1159175242.db2.gz BLEUKIGBQRHATD-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001267204426 1159175248 /nfs/dbraw/zinc/17/52/48/1159175248.db2.gz BLEUKIGBQRHATD-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001267204426 1159175252 /nfs/dbraw/zinc/17/52/52/1159175252.db2.gz BLEUKIGBQRHATD-OAHLLOKOSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001691446955 1159304675 /nfs/dbraw/zinc/30/46/75/1159304675.db2.gz LPQGCJKLNDVFBB-ZNMIVQPWSA-N 2 1 279.428 1.531 10 30 CDEEMP CC#CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001267994582 1159639966 /nfs/dbraw/zinc/63/99/66/1159639966.db2.gz SILXYYUQFNVNJR-JKSUJKDBSA-N 2 1 293.455 1.472 10 30 CDEEMP C=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699650998 1176548925 /nfs/dbraw/zinc/54/89/25/1176548925.db2.gz INNHISFSYNCDQM-ZDUSSCGKSA-N 2 1 265.401 1.284 10 30 CDEEMP C=C(C)CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001269138682 1160036242 /nfs/dbraw/zinc/03/62/42/1160036242.db2.gz XDVQOGBAVQMMMF-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001269138682 1160036249 /nfs/dbraw/zinc/03/62/49/1160036249.db2.gz XDVQOGBAVQMMMF-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=C(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001269138682 1160036253 /nfs/dbraw/zinc/03/62/53/1160036253.db2.gz XDVQOGBAVQMMMF-CQSZACIVSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001691649929 1161330242 /nfs/dbraw/zinc/33/02/42/1161330242.db2.gz SWYNPMLSXOIIIL-HNNXBMFYSA-N 2 1 290.411 1.690 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001713666695 1178702445 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CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001689346085 1175148636 /nfs/dbraw/zinc/14/86/36/1175148636.db2.gz WCOXEOVWYDOWGS-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP C=C(C)C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001689346085 1175148643 /nfs/dbraw/zinc/14/86/43/1175148643.db2.gz WCOXEOVWYDOWGS-JKSUJKDBSA-N 2 1 293.455 1.970 10 30 CDEEMP CC#CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001690183506 1175396401 /nfs/dbraw/zinc/39/64/01/1175396401.db2.gz ANVYOBHQNXWYLL-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001690183506 1175396409 /nfs/dbraw/zinc/39/64/09/1175396409.db2.gz ANVYOBHQNXWYLL-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP CC#CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001690183506 1175396414 /nfs/dbraw/zinc/39/64/14/1175396414.db2.gz ANVYOBHQNXWYLL-HZPDHXFCSA-N 2 1 291.439 1.274 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001690197140 1175401336 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C=CCC[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001570218624 1170115311 /nfs/dbraw/zinc/11/53/11/1170115311.db2.gz YAZLNCFOSLXKLM-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001570218624 1170115314 /nfs/dbraw/zinc/11/53/14/1170115314.db2.gz YAZLNCFOSLXKLM-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001570218624 1170115320 /nfs/dbraw/zinc/11/53/20/1170115320.db2.gz YAZLNCFOSLXKLM-HNNXBMFYSA-N 2 1 297.443 1.064 10 30 CDEEMP C=CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001570653245 1170224296 /nfs/dbraw/zinc/22/42/96/1170224296.db2.gz OSZQCALZRWXDIV-QWHCGFSZSA-N 2 1 255.406 1.386 10 30 CDEEMP C#CC[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001656903021 1171896156 /nfs/dbraw/zinc/89/61/56/1171896156.db2.gz BTHXFMUEGRYWDJ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001662010917 1172477896 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291.439 1.132 10 30 CDEEMP C=CCC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001698594083 1175862582 /nfs/dbraw/zinc/86/25/82/1175862582.db2.gz FJZBWBLRBURAIQ-CHWSQXEVSA-N 2 1 253.390 1.141 10 30 CDEEMP CC#CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001698668757 1175891301 /nfs/dbraw/zinc/89/13/01/1175891301.db2.gz UBZCOQCILNHITN-CVEARBPZSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001698703259 1175898927 /nfs/dbraw/zinc/89/89/27/1175898927.db2.gz XEGXLJQBMNSQQQ-MRXNPFEDSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001698861595 1175967121 /nfs/dbraw/zinc/96/71/21/1175967121.db2.gz QQRCOYXHUGQKHF-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP CC#CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001698879733 1175976274 /nfs/dbraw/zinc/97/62/74/1175976274.db2.gz QKAZOOFOHWAMDR-GJZGRUSLSA-N 2 1 279.428 1.082 10 30 CDEEMP C=C(C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001698983774 1176008868 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CDEEMP C=CCCC[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001712969443 1178276007 /nfs/dbraw/zinc/27/60/07/1178276007.db2.gz BDJMWVSJDOIRJH-UHFFFAOYSA-N 2 1 281.444 1.733 10 30 CDEEMP C#CCC[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001713012563 1178304674 /nfs/dbraw/zinc/30/46/74/1178304674.db2.gz PWGKXHFKFYIYGR-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001713012563 1178304681 /nfs/dbraw/zinc/30/46/81/1178304681.db2.gz PWGKXHFKFYIYGR-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001713012563 1178304689 /nfs/dbraw/zinc/30/46/89/1178304689.db2.gz PWGKXHFKFYIYGR-INIZCTEOSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001713208024 1178432487 /nfs/dbraw/zinc/43/24/87/1178432487.db2.gz YQZDDHMDUJIZAO-MCIONIFRSA-N 2 1 265.401 1.141 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001713408301 1178542924 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C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713541869 1178634886 /nfs/dbraw/zinc/63/48/86/1178634886.db2.gz OJVGFLCJBONDPC-HOTGVXAUSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[N@@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001713558394 1178646221 /nfs/dbraw/zinc/64/62/21/1178646221.db2.gz ILGPMZQICZISET-JKSUJKDBSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC1 ZINC001713558394 1178646225 /nfs/dbraw/zinc/64/62/25/1178646225.db2.gz ILGPMZQICZISET-JKSUJKDBSA-N 2 1 291.439 1.770 10 30 CDEEMP C=CC[NH+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12)C1CC1 ZINC001713558394 1178646227 /nfs/dbraw/zinc/64/62/27/1178646227.db2.gz ILGPMZQICZISET-JKSUJKDBSA-N 2 1 291.439 1.770 10 30 CDEEMP C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)CCc2cnc[nH]2)C1 ZINC001713950687 1178881613 /nfs/dbraw/zinc/88/16/13/1178881613.db2.gz BDQDYSJTNTVHJM-JOCQHMNTSA-N 2 1 262.357 1.155 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001714049813 1178945944 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C=C(C)C[NH+](C)CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001714571717 1179225467 /nfs/dbraw/zinc/22/54/67/1179225467.db2.gz GWCHTAKINAHVLJ-OKILXGFUSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001714571717 1179225473 /nfs/dbraw/zinc/22/54/73/1179225473.db2.gz GWCHTAKINAHVLJ-OKILXGFUSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)C[N@H+](C)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001714571717 1179225477 /nfs/dbraw/zinc/22/54/77/1179225477.db2.gz GWCHTAKINAHVLJ-OKILXGFUSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714617406 1179270833 /nfs/dbraw/zinc/27/08/33/1179270833.db2.gz HNSSETZXKSKKKC-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714617406 1179270841 /nfs/dbraw/zinc/27/08/41/1179270841.db2.gz HNSSETZXKSKKKC-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714617406 1179270850 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HAHHUOCPTQSNTR-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C1CCC1 ZINC001716062252 1180026913 /nfs/dbraw/zinc/02/69/13/1180026913.db2.gz DSJGAAKTPNYQQL-GDBMZVCRSA-N 2 1 293.455 1.921 10 30 CDEEMP CC#CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001716144485 1180071065 /nfs/dbraw/zinc/07/10/65/1180071065.db2.gz DUIZDUPAIKADQK-GJZGRUSLSA-N 2 1 279.428 1.369 10 30 CDEEMP C=CCC[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001716296970 1180146474 /nfs/dbraw/zinc/14/64/74/1180146474.db2.gz SRLBBGUYYZVCTH-MHKRFPNSSA-N 2 1 279.428 1.555 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001716653919 1180338977 /nfs/dbraw/zinc/33/89/77/1180338977.db2.gz RLFDEBVAEVFNPK-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH+]1CC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001716653919 1180338982 /nfs/dbraw/zinc/33/89/82/1180338982.db2.gz RLFDEBVAEVFNPK-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653919 1180338988 /nfs/dbraw/zinc/33/89/88/1180338988.db2.gz RLFDEBVAEVFNPK-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001716653919 1180338991 /nfs/dbraw/zinc/33/89/91/1180338991.db2.gz RLFDEBVAEVFNPK-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001716799267 1180419436 /nfs/dbraw/zinc/41/94/36/1180419436.db2.gz BJKFBVILAZZQFA-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]C(C)C)C1 ZINC001717086855 1180527912 /nfs/dbraw/zinc/52/79/12/1180527912.db2.gz NWVFMJNTGGFGNC-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]C(C)C)C1 ZINC001717086855 1180527916 /nfs/dbraw/zinc/52/79/16/1180527916.db2.gz NWVFMJNTGGFGNC-HOTGVXAUSA-N 2 1 291.439 1.321 10 30 CDEEMP C=C(C)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001723595295 1181590806 /nfs/dbraw/zinc/59/08/06/1181590806.db2.gz NUMWKJSEULUIDD-UHFFFAOYSA-N 2 1 253.390 1.141 10 30 CDEEMP C=CC[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)CCC)C1 ZINC001724184817 1181649936 /nfs/dbraw/zinc/64/99/36/1181649936.db2.gz VUYFMQLTQXTEKO-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001724184817 1181649946 /nfs/dbraw/zinc/64/99/46/1181649946.db2.gz VUYFMQLTQXTEKO-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CCC)C1 ZINC001724184817 1181649950 /nfs/dbraw/zinc/64/99/50/1181649950.db2.gz VUYFMQLTQXTEKO-AWEZNQCLSA-N 2 1 253.390 1.095 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001724335441 1181665226 /nfs/dbraw/zinc/66/52/26/1181665226.db2.gz ZROQCSYEDCVBQT-INIZCTEOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001725137828 1181880417 /nfs/dbraw/zinc/88/04/17/1181880417.db2.gz WJVIKUMUXVDNAK-QQFBHYJXSA-N 2 1 291.439 1.321 10 30 CDEEMP C#CC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725189337 1181915722 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CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731271754 1182288424 /nfs/dbraw/zinc/28/84/24/1182288424.db2.gz UFFRFVXTMIQWRV-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731271754 1182288430 /nfs/dbraw/zinc/28/84/30/1182288430.db2.gz UFFRFVXTMIQWRV-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001731271754 1182288437 /nfs/dbraw/zinc/28/84/37/1182288437.db2.gz UFFRFVXTMIQWRV-CVEARBPZSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1 ZINC001732025970 1182728579 /nfs/dbraw/zinc/72/85/79/1182728579.db2.gz FSWFUVGCDZFVGL-JKSUJKDBSA-N 2 1 287.407 1.571 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)CCC)C1 ZINC001732059159 1182745371 /nfs/dbraw/zinc/74/53/71/1182745371.db2.gz MHSNCFCNQYDCCE-OAHLLOKOSA-N 2 1 281.444 1.733 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)CCC)C1 ZINC001732059159 1182745375 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C#CCC[NH2+]C[C@@H](CCCC)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001734094190 1183654917 /nfs/dbraw/zinc/65/49/17/1183654917.db2.gz GMBRBTOPHDUPOS-CABCVRRESA-N 2 1 279.428 1.369 10 30 CDEEMP C=C(C)C[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001734117126 1183665660 /nfs/dbraw/zinc/66/56/60/1183665660.db2.gz MNKKYFYCIYLJAU-CYBMUJFWSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001734404593 1183764438 /nfs/dbraw/zinc/76/44/38/1183764438.db2.gz BCFUFBVAUSIPEI-LSDHHAIUSA-N 2 1 281.444 1.872 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000870572034 711902710 /nfs/dbraw/zinc/90/27/10/711902710.db2.gz BAPSDFPLDKRSHA-HNNXBMFYSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000870572034 711902712 /nfs/dbraw/zinc/90/27/12/711902712.db2.gz BAPSDFPLDKRSHA-HNNXBMFYSA-N 2 1 291.439 1.417 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+][C@@H](C1CC1)C1CCOCC1 ZINC000926488926 712509413 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C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1 ZINC001641720033 1167131631 /nfs/dbraw/zinc/13/16/31/1167131631.db2.gz NYUZTMRZAMQUIF-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001381432457 976823065 /nfs/dbraw/zinc/82/30/65/976823065.db2.gz GKQVOXFWNTUPDZ-VXGBXAGGSA-N 2 1 275.824 1.564 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C1 ZINC001566682056 1168383981 /nfs/dbraw/zinc/38/39/81/1168383981.db2.gz NLTFTQRHRYLRQS-HNNXBMFYSA-N 2 1 277.412 1.076 10 30 CDEEMP C=C(C)CC[NH2+][C@H]1C[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001566811326 1168430038 /nfs/dbraw/zinc/43/00/38/1168430038.db2.gz QMWXDMWWBRPYIA-HDJSIYSDSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+]CC[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001272456960 913143686 /nfs/dbraw/zinc/14/36/86/913143686.db2.gz LSUPFCVNWHWIPW-HNNXBMFYSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001567416467 1168743241 /nfs/dbraw/zinc/74/32/41/1168743241.db2.gz SHCFVMHJOIMASS-INIZCTEOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC001266640496 895662162 /nfs/dbraw/zinc/66/21/62/895662162.db2.gz WJMDKVAWPAWRHJ-BZUAXINKSA-N 2 1 287.407 1.712 10 30 CDEEMP C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001267277049 897445715 /nfs/dbraw/zinc/44/57/15/897445715.db2.gz YDRDIZLSJNFOFH-ZIAGYGMSSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001267301678 897520459 /nfs/dbraw/zinc/52/04/59/897520459.db2.gz DHRVZKSNPAWZBO-CVEARBPZSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CC[NH2+]CCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC001267408590 897875719 /nfs/dbraw/zinc/87/57/19/897875719.db2.gz JGCYZRBJXIRCLN-UHFFFAOYSA-N 2 1 281.444 1.875 10 30 CDEEMP CC#CC[NH+]1CC[C@H](CCNC(=O)CC[N@H+](C)CCC)C1 ZINC001267595013 898643086 /nfs/dbraw/zinc/64/30/86/898643086.db2.gz OQGPLLUCVHEHQL-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001267595013 898643090 /nfs/dbraw/zinc/64/30/90/898643090.db2.gz OQGPLLUCVHEHQL-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)CCC)C1 ZINC001267595013 898643094 /nfs/dbraw/zinc/64/30/94/898643094.db2.gz OQGPLLUCVHEHQL-INIZCTEOSA-N 2 1 293.455 1.570 10 30 CDEEMP C=CCCC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001481194094 899105426 /nfs/dbraw/zinc/10/54/26/899105426.db2.gz CAABNAVGUXEQKV-UHFFFAOYSA-N 2 1 291.439 1.629 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001268075744 901105259 /nfs/dbraw/zinc/10/52/59/901105259.db2.gz TYEFWOQPWPBUIN-ZIAGYGMSSA-N 2 1 292.427 1.983 10 30 CDEEMP CC#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001279328933 902038092 /nfs/dbraw/zinc/03/80/92/902038092.db2.gz MZCRZDFNHFLSLZ-UYSNPLJNSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[NH+]1CCC(CCNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001482043253 902538290 /nfs/dbraw/zinc/53/82/90/902538290.db2.gz QENZXDCHUUSSCZ-UHFFFAOYSA-N 2 1 291.439 1.322 10 30 CDEEMP C#CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001482057447 902569582 /nfs/dbraw/zinc/56/95/82/902569582.db2.gz FYOXGKIBVNYTOD-HUUCEWRRSA-N 2 1 277.412 1.075 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC(=C)C ZINC001268734055 903053843 /nfs/dbraw/zinc/05/38/43/903053843.db2.gz QUDYQAIMXSTKTE-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CC(=C)C ZINC001268734055 903053856 /nfs/dbraw/zinc/05/38/56/903053856.db2.gz QUDYQAIMXSTKTE-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=C)C ZINC001268734055 903053867 /nfs/dbraw/zinc/05/38/67/903053867.db2.gz QUDYQAIMXSTKTE-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC(=C)C ZINC001268734055 903053880 /nfs/dbraw/zinc/05/38/80/903053880.db2.gz QUDYQAIMXSTKTE-CABCVRRESA-N 2 1 277.412 1.097 10 30 CDEEMP C=CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001269454726 903822291 /nfs/dbraw/zinc/82/22/91/903822291.db2.gz QDHPOYBDWICDRX-LSDHHAIUSA-N 2 1 281.444 1.779 10 30 CDEEMP C=CCC[C@H](C)[NH2+]C1(CNC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001269489087 903854448 /nfs/dbraw/zinc/85/44/48/903854448.db2.gz GSSVGAGZLTUPKG-GJZGRUSLSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001269522931 903889371 /nfs/dbraw/zinc/88/93/71/903889371.db2.gz WDLKNTNIEIUCPJ-HUUCEWRRSA-N 2 1 293.455 1.921 10 30 CDEEMP C=C(C)CC[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001269607154 903976463 /nfs/dbraw/zinc/97/64/63/903976463.db2.gz WBYLUQHCQWGBKD-RDJZCZTQSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CCC[NH+]1CC[C@](C)(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001270624347 904833238 /nfs/dbraw/zinc/83/32/38/904833238.db2.gz OZMHEDRFRKNTNR-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@](C)(NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001270624347 904833253 /nfs/dbraw/zinc/83/32/53/904833253.db2.gz OZMHEDRFRKNTNR-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C#CCC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001270632630 904862668 /nfs/dbraw/zinc/86/26/68/904862668.db2.gz LYQIOOZXVNVENK-KRWDZBQOSA-N 2 1 291.439 1.322 10 30 CDEEMP Cc1cc(C#N)cc(C)c1C[NH2+]C[C@](C)(O)C[NH+](C)C ZINC000921930399 921131186 /nfs/dbraw/zinc/13/11/86/921131186.db2.gz LHTYJSLKVVPGQT-INIZCTEOSA-N 2 1 275.396 1.577 10 30 CDEEMP C=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001271577157 906525363 /nfs/dbraw/zinc/52/53/63/906525363.db2.gz RIFNTHOWZNZFOF-HZPDHXFCSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001271676582 906589066 /nfs/dbraw/zinc/58/90/66/906589066.db2.gz JADCJSPRCKKTSC-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925902 1169075767 /nfs/dbraw/zinc/07/57/67/1169075767.db2.gz VRAIBGSPIHVSGN-OAHLLOKOSA-N 2 1 291.439 1.581 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001482928293 908498538 /nfs/dbraw/zinc/49/85/38/908498538.db2.gz QVTIQBVZHOBIHZ-HNNXBMFYSA-N 2 1 279.428 1.322 10 30 CDEEMP CCC[N@@H+](CC)CCNC(=[NH2+])NC1CCCCC1 ZINC000083052971 910019609 /nfs/dbraw/zinc/01/96/09/910019609.db2.gz CGMUOTRPIQJELZ-UHFFFAOYSA-N 2 1 254.422 1.955 10 30 CDEEMP C=C(C)CC[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001483296659 910809145 /nfs/dbraw/zinc/80/91/45/910809145.db2.gz NGFSCJCXNFGQTN-ZDUSSCGKSA-N 2 1 255.406 1.387 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001484727201 916086751 /nfs/dbraw/zinc/08/67/51/916086751.db2.gz PYVJQDRNWQADDV-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C#CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001484941643 916299010 /nfs/dbraw/zinc/29/90/10/916299010.db2.gz JKGHPZMXIRYETF-OAHLLOKOSA-N 2 1 293.455 1.568 10 30 CDEEMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001484941643 916299031 /nfs/dbraw/zinc/29/90/31/916299031.db2.gz 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ADEWEITZAKPDBJ-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001317539889 956842053 /nfs/dbraw/zinc/84/20/53/956842053.db2.gz ADEWEITZAKPDBJ-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001366469093 956854241 /nfs/dbraw/zinc/85/42/41/956854241.db2.gz DEOBFSFKJWVNSP-STQMWFEESA-N 2 1 287.835 1.708 10 30 CDEEMP C#CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[N@H+](C)CC ZINC001316875393 956865763 /nfs/dbraw/zinc/86/57/63/956865763.db2.gz AAOOOWLYCSYHGR-HOTGVXAUSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001331458706 957076464 /nfs/dbraw/zinc/07/64/64/957076464.db2.gz LWOLNPYJVBZTAE-LSDHHAIUSA-N 2 1 281.444 1.873 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316979960 957175846 /nfs/dbraw/zinc/17/58/46/957175846.db2.gz FYBURIQYZUFRIU-HNNXBMFYSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCC[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001316990130 957188467 /nfs/dbraw/zinc/18/84/67/957188467.db2.gz FFIFLMHDHGVGBL-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316990130 957188468 /nfs/dbraw/zinc/18/84/68/957188468.db2.gz FFIFLMHDHGVGBL-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001316990130 957188469 /nfs/dbraw/zinc/18/84/69/957188469.db2.gz FFIFLMHDHGVGBL-CQSZACIVSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CCC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[N@H+](C)CCC ZINC001317052056 957225696 /nfs/dbraw/zinc/22/56/96/957225696.db2.gz SGJCJXCPNSIJPA-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001317052056 957225699 /nfs/dbraw/zinc/22/56/99/957225699.db2.gz SGJCJXCPNSIJPA-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP C=CCC[N@@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001317052056 957225711 /nfs/dbraw/zinc/22/57/11/957225711.db2.gz SGJCJXCPNSIJPA-GASCZTMLSA-N 2 1 279.428 1.580 10 30 CDEEMP CC#CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001317158583 957312159 /nfs/dbraw/zinc/31/21/59/957312159.db2.gz USGPRQYLNMUXEO-HOTGVXAUSA-N 2 1 291.439 1.180 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001317491119 957509094 /nfs/dbraw/zinc/50/90/94/957509094.db2.gz PXMGITHBZAWNSH-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP CC#CC[N@H+](CCCNC(=O)[C@H](CC)[NH+](C)C)C(C)C ZINC001317709484 957644081 /nfs/dbraw/zinc/64/40/81/957644081.db2.gz PFGCMMCKEHPRMJ-HNNXBMFYSA-N 2 1 281.444 1.567 10 30 CDEEMP C=CCC[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001317810838 957674385 /nfs/dbraw/zinc/67/43/85/957674385.db2.gz GHUWBFNTMNMTAJ-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317810838 957674389 /nfs/dbraw/zinc/67/43/89/957674389.db2.gz GHUWBFNTMNMTAJ-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317810838 957674402 /nfs/dbraw/zinc/67/44/02/957674402.db2.gz GHUWBFNTMNMTAJ-HNNXBMFYSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[N@@H+](C)CCC)C1 ZINC001318079798 957905076 /nfs/dbraw/zinc/90/50/76/957905076.db2.gz LKSOLUWEPJXEDG-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001318079798 957905093 /nfs/dbraw/zinc/90/50/93/957905093.db2.gz LKSOLUWEPJXEDG-CYBMUJFWSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[C@H](C)[NH+]1CC(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001318155161 957947478 /nfs/dbraw/zinc/94/74/78/957947478.db2.gz PHHTWXGEVNKLQX-GJZGRUSLSA-N 2 1 293.455 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001318292693 958020644 /nfs/dbraw/zinc/02/06/44/958020644.db2.gz SSJFKKOENGOKHD-STQMWFEESA-N 2 1 253.390 1.093 10 30 CDEEMP C=CCOCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)C(C)C)C1 ZINC001494877694 972328431 /nfs/dbraw/zinc/32/84/31/972328431.db2.gz XBUONYPMWXJPMZ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCOCC[N@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001494877694 972328434 /nfs/dbraw/zinc/32/84/34/972328434.db2.gz XBUONYPMWXJPMZ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CCOCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C1 ZINC001494877694 972328439 /nfs/dbraw/zinc/32/84/39/972328439.db2.gz XBUONYPMWXJPMZ-HNNXBMFYSA-N 2 1 297.443 1.062 10 30 CDEEMP C=CC[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+]2CCCC2)C1 ZINC001494875788 972328537 /nfs/dbraw/zinc/32/85/37/972328537.db2.gz KGQKXQAJTQDAEV-MRXNPFEDSA-N 2 1 293.455 1.971 10 30 CDEEMP C=C(C)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001319594974 958646869 /nfs/dbraw/zinc/64/68/69/958646869.db2.gz XUSGAYFHKACERH-GJZGRUSLSA-N 2 1 281.444 1.873 10 30 CDEEMP C#CC[NH2+]C/C=C\CNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001321067247 959572183 /nfs/dbraw/zinc/57/21/83/959572183.db2.gz SVBVWHQQBYKUHU-LMVHVUTASA-N 2 1 288.395 1.292 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@H+]32)CC1 ZINC001323566916 960826427 /nfs/dbraw/zinc/82/64/27/960826427.db2.gz LRTFXCXZSWTKCI-HUUCEWRRSA-N 2 1 291.439 1.818 10 30 CDEEMP C#CCC[NH2+]C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001324176273 961215365 /nfs/dbraw/zinc/21/53/65/961215365.db2.gz SNPFDCAFDNOASU-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C=C(Cl)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001419207812 961504166 /nfs/dbraw/zinc/50/41/66/961504166.db2.gz GIWYARNTJKAHPB-QWHCGFSZSA-N 2 1 287.835 1.708 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001437313955 962798641 /nfs/dbraw/zinc/79/86/41/962798641.db2.gz LTHBHIPHWJFTCN-KBPBESRZSA-N 2 1 299.846 1.519 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC001544078246 967335135 /nfs/dbraw/zinc/33/51/35/967335135.db2.gz DPVQKLDJQQTRFM-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001498042446 973644059 /nfs/dbraw/zinc/64/40/59/973644059.db2.gz PPFFQYTZYCXEQW-STQMWFEESA-N 2 1 287.835 1.706 10 30 CDEEMP C=CC[N@@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001498414507 973898245 /nfs/dbraw/zinc/89/82/45/973898245.db2.gz HLRUDYAVJSUHBU-CYBMUJFWSA-N 2 1 299.378 1.503 10 30 CDEEMP C=CC[N@H+](C)C[C@@H](C)NC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001498414507 973898253 /nfs/dbraw/zinc/89/82/53/973898253.db2.gz HLRUDYAVJSUHBU-CYBMUJFWSA-N 2 1 299.378 1.503 10 30 CDEEMP C=CC[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001498659541 974015527 /nfs/dbraw/zinc/01/55/27/974015527.db2.gz ZPAXTTUCLJTILR-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=C(C)C[NH2+]CC[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001501579151 974602626 /nfs/dbraw/zinc/60/26/26/974602626.db2.gz YQQJKNZCFNBVTK-OAHLLOKOSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001502393981 974732679 /nfs/dbraw/zinc/73/26/79/974732679.db2.gz KBCOXAINPKQDGC-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001502393981 974732685 /nfs/dbraw/zinc/73/26/85/974732685.db2.gz KBCOXAINPKQDGC-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001502393981 974732689 /nfs/dbraw/zinc/73/26/89/974732689.db2.gz KBCOXAINPKQDGC-KRWDZBQOSA-N 2 1 291.439 1.276 10 30 CDEEMP C#CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001502513681 974746052 /nfs/dbraw/zinc/74/60/52/974746052.db2.gz VMQCBWNENOIKPP-OAHLLOKOSA-N 2 1 291.439 1.322 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001505450004 974883771 /nfs/dbraw/zinc/88/37/71/974883771.db2.gz SXXJIKDOHKAIID-MRXNPFEDSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001505455776 974885150 /nfs/dbraw/zinc/88/51/50/974885150.db2.gz HWPWIUVSKDHZQV-AWEZNQCLSA-N 2 1 277.412 1.191 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001507418734 975462745 /nfs/dbraw/zinc/46/27/45/975462745.db2.gz JCJUQXXXVLZWAE-HOTGVXAUSA-N 2 1 293.455 1.616 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001674157004 1173919713 /nfs/dbraw/zinc/91/97/13/1173919713.db2.gz YQEFRQYHJLXYAF-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001674157004 1173919719 /nfs/dbraw/zinc/91/97/19/1173919719.db2.gz YQEFRQYHJLXYAF-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP CC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C[C@@H]1C ZINC001674157004 1173919724 /nfs/dbraw/zinc/91/97/24/1173919724.db2.gz YQEFRQYHJLXYAF-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C=C(C)C[NH2+]CC[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001569989872 1170055849 /nfs/dbraw/zinc/05/58/49/1170055849.db2.gz MCILTQONMCVODK-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[NH2+]C1(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CCC1 ZINC001570118740 1170085547 /nfs/dbraw/zinc/08/55/47/1170085547.db2.gz HAUMDTYNVLJZLL-CQSZACIVSA-N 2 1 279.428 1.533 10 30 CDEEMP C#CCC[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001570215757 1170113664 /nfs/dbraw/zinc/11/36/64/1170113664.db2.gz MNSJXBMRCLKVIB-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001570215757 1170113666 /nfs/dbraw/zinc/11/36/66/1170113666.db2.gz MNSJXBMRCLKVIB-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CCC[NH+](C)CCCN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001570215757 1170113667 /nfs/dbraw/zinc/11/36/67/1170113667.db2.gz MNSJXBMRCLKVIB-OAHLLOKOSA-N 2 1 279.428 1.132 10 30 CDEEMP C=C(C)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)CCC ZINC001570748366 1170268133 /nfs/dbraw/zinc/26/81/33/1170268133.db2.gz YKKUYFVKKQBTFX-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001570748366 1170268139 /nfs/dbraw/zinc/26/81/39/1170268139.db2.gz YKKUYFVKKQBTFX-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=C(C)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)CCC ZINC001570748366 1170268144 /nfs/dbraw/zinc/26/81/44/1170268144.db2.gz YKKUYFVKKQBTFX-ZDUSSCGKSA-N 2 1 255.406 1.341 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001571488711 1170438010 /nfs/dbraw/zinc/43/80/10/1170438010.db2.gz GZNDVTSYJBYOGY-KGLIPLIRSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCC[N@@H+]1CC[C@H]1CN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001656097932 1171766672 /nfs/dbraw/zinc/76/66/72/1171766672.db2.gz OFRCBFMSBCUCQU-INIZCTEOSA-N 2 1 293.455 1.827 10 30 CDEEMP CN(C)c1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)cc[nH+]1 ZINC000594438600 342906344 /nfs/dbraw/zinc/90/63/44/342906344.db2.gz KMRLOVDKHVAVQY-LBPRGKRZSA-N 2 1 275.356 1.497 10 30 CDEEMP COC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1COC ZINC000671241960 541978870 /nfs/dbraw/zinc/97/88/70/541978870.db2.gz VMKTXMFDSKPEKU-HZPDHXFCSA-N 2 1 280.412 1.211 10 30 CDEEMP CC#CC[N@@H+](CCC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001663683811 1172746368 /nfs/dbraw/zinc/74/63/68/1172746368.db2.gz HDHRJPURKDHULK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001663683811 1172746371 /nfs/dbraw/zinc/74/63/71/1172746371.db2.gz HDHRJPURKDHULK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP CC#CC[NH+](CCC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001663683811 1172746376 /nfs/dbraw/zinc/74/63/76/1172746376.db2.gz HDHRJPURKDHULK-OAHLLOKOSA-N 2 1 279.428 1.180 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C\CC ZINC001663989471 1172798198 /nfs/dbraw/zinc/79/81/98/1172798198.db2.gz SXELDPQMUXOUBA-WLMCBFPDSA-N 2 1 291.439 1.488 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC/C=C\CC ZINC001663989471 1172798202 /nfs/dbraw/zinc/79/82/02/1172798202.db2.gz SXELDPQMUXOUBA-WLMCBFPDSA-N 2 1 291.439 1.488 10 30 CDEEMP C=CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CCC[NH2+]1 ZINC000662701843 413349848 /nfs/dbraw/zinc/34/98/48/413349848.db2.gz VNJPVQYCQBZGPW-RDJZCZTQSA-N 2 1 293.455 1.921 10 30 CDEEMP C=CC[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001665741985 1173050380 /nfs/dbraw/zinc/05/03/80/1173050380.db2.gz IPXGSOPLNAUWHZ-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001665741985 1173050387 /nfs/dbraw/zinc/05/03/87/1173050387.db2.gz IPXGSOPLNAUWHZ-AWEZNQCLSA-N 2 1 276.384 1.300 10 30 CDEEMP CC(C)C[N@@H+](CC(N)=O)Cc1cc(C#CC[NH3+])cs1 ZINC000043689123 175096327 /nfs/dbraw/zinc/09/63/27/175096327.db2.gz MOISMNCRKRXAMQ-UHFFFAOYSA-N 2 1 279.409 1.002 10 30 CDEEMP C[N@H+]1CCC[C@H](CNC(=O)c2cccc(C#CC[NH3+])c2)C1 ZINC000044560316 175204008 /nfs/dbraw/zinc/20/40/08/175204008.db2.gz IIAMSBGXTOQVFP-OAHLLOKOSA-N 2 1 285.391 1.068 10 30 CDEEMP C[NH+](C)C1CC[NH+](CCC[C@](C)(C#N)NC2CC2)CC1 ZINC000045311124 175356625 /nfs/dbraw/zinc/35/66/25/175356625.db2.gz WSRPKESCBFHYKV-MRXNPFEDSA-N 2 1 278.444 1.827 10 30 CDEEMP C[C@H](CNC(=[NH2+])NC[C@@H]1CCCO1)[N@H+]1CCC[C@@H](C)C1 ZINC000249855913 261258874 /nfs/dbraw/zinc/25/88/74/261258874.db2.gz DDBMWWNWCPSALE-MCIONIFRSA-N 2 1 282.432 1.190 10 30 CDEEMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=[NH2+])N1CCSCC1 ZINC000130839100 264369848 /nfs/dbraw/zinc/36/98/48/264369848.db2.gz HWVJLLNAZYRYQC-CYBMUJFWSA-N 2 1 284.473 1.470 10 30 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C=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[N@H+](C)CC ZINC001699482728 1176439851 /nfs/dbraw/zinc/43/98/51/1176439851.db2.gz FINBLSCJNHVAKC-GJZGRUSLSA-N 2 1 281.444 1.779 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[C@@H]1C ZINC001700317823 1176847029 /nfs/dbraw/zinc/84/70/29/1176847029.db2.gz MLJIJHXFZUWIIM-GJZGRUSLSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001700638550 1177050034 /nfs/dbraw/zinc/05/00/34/1177050034.db2.gz FRGQROAVMLWQDZ-JYJNAYRXSA-N 2 1 293.455 1.921 10 30 CDEEMP C#CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001700752693 1177113679 /nfs/dbraw/zinc/11/36/79/1177113679.db2.gz PTAXOOOYIJUCJE-GJZGRUSLSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700890558 1177181706 /nfs/dbraw/zinc/18/17/06/1177181706.db2.gz WTQFUOWHBZZRSM-CABCVRRESA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H]1CN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001707053080 1177929341 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C=CC[NH2+][C@@H](CNC(=O)c1cc(C[NH+](C)C)on1)C1CC1 ZINC001713112139 1178373669 /nfs/dbraw/zinc/37/36/69/1178373669.db2.gz OBZIAPQKOVFWCW-AWEZNQCLSA-N 2 1 292.383 1.020 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001713510501 1178616954 /nfs/dbraw/zinc/61/69/54/1178616954.db2.gz AXGDZTYHKZLGLT-AWEZNQCLSA-N 2 1 279.428 1.627 10 30 CDEEMP C#CC[N@@H+](CCC)CCNC(=O)C12CCC[NH+]1CCC2 ZINC001713547571 1178637728 /nfs/dbraw/zinc/63/77/28/1178637728.db2.gz BNECHULKXVTBGY-UHFFFAOYSA-N 2 1 277.412 1.076 10 30 CDEEMP CC#CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[NH+](C)C)C(C)C ZINC001713689329 1178710674 /nfs/dbraw/zinc/71/06/74/1178710674.db2.gz BVONDSYOTILMTL-INIZCTEOSA-N 2 1 295.471 1.813 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001713737318 1178730684 /nfs/dbraw/zinc/73/06/84/1178730684.db2.gz CSFMPUGULNDYSA-CVEARBPZSA-N 2 1 295.471 1.977 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001714014807 1178928503 /nfs/dbraw/zinc/92/85/03/1178928503.db2.gz ZMNHCGWGKKDRNE-CQSZACIVSA-N 2 1 267.417 1.437 10 30 CDEEMP C#CCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001714053275 1178948104 /nfs/dbraw/zinc/94/81/04/1178948104.db2.gz JLKPYARLVSNHCM-HNNXBMFYSA-N 2 1 277.412 1.028 10 30 CDEEMP C#CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001714489775 1179167945 /nfs/dbraw/zinc/16/79/45/1179167945.db2.gz RJQUBSMNTJTTBG-CJNGLKHVSA-N 2 1 297.418 1.317 10 30 CDEEMP C#CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001714519396 1179179270 /nfs/dbraw/zinc/17/92/70/1179179270.db2.gz CSPBZGVKGPAAJW-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714519396 1179179272 /nfs/dbraw/zinc/17/92/72/1179179272.db2.gz CSPBZGVKGPAAJW-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP C#CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714519396 1179179277 /nfs/dbraw/zinc/17/92/77/1179179277.db2.gz CSPBZGVKGPAAJW-JKSUJKDBSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H]1CCCNC(=O)CCC[NH+](C)C ZINC001714524316 1179180382 /nfs/dbraw/zinc/18/03/82/1179180382.db2.gz HLPDZHWIVIZBGV-MRXNPFEDSA-N 2 1 293.455 1.712 10 30 CDEEMP C=CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001714876920 1179434237 /nfs/dbraw/zinc/43/42/37/1179434237.db2.gz ORAVBOGJLXCTPJ-LSDHHAIUSA-N 2 1 281.444 1.587 10 30 CDEEMP C=CCC[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001714905600 1179446986 /nfs/dbraw/zinc/44/69/86/1179446986.db2.gz PGBUKMXIPGQIHM-HNNXBMFYSA-N 2 1 291.439 1.439 10 30 CDEEMP C#CC[NH2+][C@H](CC)CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001715066790 1179536860 /nfs/dbraw/zinc/53/68/60/1179536860.db2.gz YCOIZTVVZDSPHM-GDBMZVCRSA-N 2 1 291.439 1.511 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCCN1C(=O)CCc1cnc[nH]1 ZINC001715186086 1179571853 /nfs/dbraw/zinc/57/18/53/1179571853.db2.gz JRUGIZBEJBFSGP-OAHLLOKOSA-N 2 1 288.395 1.336 10 30 CDEEMP C=CC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001715422907 1179662987 /nfs/dbraw/zinc/66/29/87/1179662987.db2.gz VOQWNXSIDWYACX-KGLIPLIRSA-N 2 1 267.417 1.339 10 30 CDEEMP CC#CC[NH2+]CCN(CC)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001715761355 1179794029 /nfs/dbraw/zinc/79/40/29/1179794029.db2.gz HHCQPRBZTHGFRP-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=C(C)C[NH2+]C/C=C/CNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001715836755 1179858763 /nfs/dbraw/zinc/85/87/63/1179858763.db2.gz ZNRHGCCUKPPDQS-SWJNODNISA-N 2 1 291.439 1.841 10 30 CDEEMP C#CC[N@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001716025298 1179999939 /nfs/dbraw/zinc/99/99/39/1179999939.db2.gz VWUBRJVGLXYAKG-GFCCVEGCSA-N 2 1 293.436 1.493 10 30 CDEEMP C#CC[NH+]1CCC(C)(NC(=O)CC[N@H+](C)CCC)CC1 ZINC001716799312 1180419510 /nfs/dbraw/zinc/41/95/10/1180419510.db2.gz CWXGYLQFPWSOBM-UHFFFAOYSA-N 2 1 279.428 1.322 10 30 CDEEMP CC#CC[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[N@H+](C)CCC ZINC001717434101 1180670238 /nfs/dbraw/zinc/67/02/38/1180670238.db2.gz BJJLJIOTSBGEAI-UONOGXRCSA-N 2 1 267.417 1.224 10 30 CDEEMP C=C(C)CC[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001717804359 1180865696 /nfs/dbraw/zinc/86/56/96/1180865696.db2.gz DTXAQPGIPNFNLJ-DZGCQCFKSA-N 2 1 290.411 1.737 10 30 CDEEMP C=CCC[C@@H](C)[NH+]1CC(N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001723812753 1181605574 /nfs/dbraw/zinc/60/55/74/1181605574.db2.gz IDDMMKHHPMRDOK-CQSZACIVSA-N 2 1 281.444 1.826 10 30 CDEEMP CC#CC[NH+]1CC([C@H](C)NC(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001725259264 1181943392 /nfs/dbraw/zinc/94/33/92/1181943392.db2.gz ZXKCIEBHRCQZEN-GOEBONIOSA-N 2 1 291.439 1.321 10 30 CDEEMP CC#CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001725470951 1182011687 /nfs/dbraw/zinc/01/16/87/1182011687.db2.gz QHLYYRKEYWDMEC-HOCLYGCPSA-N 2 1 291.439 1.178 10 30 CDEEMP C=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)[C@@H]1C ZINC001725573576 1182055823 /nfs/dbraw/zinc/05/58/23/1182055823.db2.gz GOOBAWDPEWDZQH-ZIAGYGMSSA-N 2 1 267.417 1.483 10 30 CDEEMP C#CCC[N@@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731344927 1182329257 /nfs/dbraw/zinc/32/92/57/1182329257.db2.gz SGMNEFHWNSFWKB-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP C#CCC[N@H+](CCCNC(=O)Cn1cc[nH+]c1C)C1CC1 ZINC001731344927 1182329265 /nfs/dbraw/zinc/32/92/65/1182329265.db2.gz SGMNEFHWNSFWKB-UHFFFAOYSA-N 2 1 288.395 1.186 10 30 CDEEMP C=CCC[N@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001731500634 1182423168 /nfs/dbraw/zinc/42/31/68/1182423168.db2.gz LVBMJAQLSYYOLD-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[N@@H+]1CCC[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001731500634 1182423170 /nfs/dbraw/zinc/42/31/70/1182423170.db2.gz LVBMJAQLSYYOLD-HNNXBMFYSA-N 2 1 290.411 1.596 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001731622095 1182485746 /nfs/dbraw/zinc/48/57/46/1182485746.db2.gz IYLHLOIJIQVPOU-CYBMUJFWSA-N 2 1 278.400 1.677 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001731637490 1182495508 /nfs/dbraw/zinc/49/55/08/1182495508.db2.gz NXTHCUOKQAMBIO-GFCCVEGCSA-N 2 1 264.373 1.252 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731814349 1182602105 /nfs/dbraw/zinc/60/21/05/1182602105.db2.gz WCGLMACKHHRDEU-JKSUJKDBSA-N 2 1 293.455 1.568 10 30 CDEEMP CC#CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001731994941 1182718180 /nfs/dbraw/zinc/71/81/80/1182718180.db2.gz TVGDXPTYZDFBPU-ZBFHGGJFSA-N 2 1 291.439 1.321 10 30 CDEEMP C=CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001732168824 1182827623 /nfs/dbraw/zinc/82/76/23/1182827623.db2.gz OXLKNJIKJMFTPT-CQSZACIVSA-N 2 1 279.428 1.437 10 30 CDEEMP CC#CC[NH2+]C[C@@H](CC(C)C)NC(=O)Cn1c[nH+]cc1C ZINC001732467346 1182980175 /nfs/dbraw/zinc/98/01/75/1182980175.db2.gz UYNCDVXWOLUWID-OAHLLOKOSA-N 2 1 290.411 1.335 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C(C)C ZINC001732562492 1183010876 /nfs/dbraw/zinc/01/08/76/1183010876.db2.gz CNKTYTQFAKFFGW-KFWWJZLASA-N 2 1 281.444 1.633 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001732754313 1183109694 /nfs/dbraw/zinc/10/96/94/1183109694.db2.gz LONXVDLAFVIEMB-GOEBONIOSA-N 2 1 289.423 1.960 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCC ZINC001733082575 1183279767 /nfs/dbraw/zinc/27/97/67/1183279767.db2.gz FEYFQJJTFJGRRT-HZPDHXFCSA-N 2 1 293.455 1.616 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001733083649 1183281759 /nfs/dbraw/zinc/28/17/59/1183281759.db2.gz NLIKLRFHBKQTLX-CVEARBPZSA-N 2 1 293.455 1.615 10 30 CDEEMP C#CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001733289834 1183380466 /nfs/dbraw/zinc/38/04/66/1183380466.db2.gz UXDLPXWYVMKPOY-QGZVFWFLSA-N 2 1 291.439 1.276 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001733605481 1183478257 /nfs/dbraw/zinc/47/82/57/1183478257.db2.gz HQPXNMFEUWYFHE-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001733605481 1183478258 /nfs/dbraw/zinc/47/82/58/1183478258.db2.gz HQPXNMFEUWYFHE-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001733605481 1183478260 /nfs/dbraw/zinc/47/82/60/1183478260.db2.gz HQPXNMFEUWYFHE-JKSUJKDBSA-N 2 1 293.455 1.826 10 30 CDEEMP C=CCCC[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1C ZINC001733843262 1183547378 /nfs/dbraw/zinc/54/73/78/1183547378.db2.gz AFUCYVPZEYKJPG-HOCLYGCPSA-N 2 1 293.455 1.873 10 30 CDEEMP CC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001733878335 1183557332 /nfs/dbraw/zinc/55/73/32/1183557332.db2.gz HRIFBAOVFCTEFI-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C1 ZINC001733878335 1183557334 /nfs/dbraw/zinc/55/73/34/1183557334.db2.gz HRIFBAOVFCTEFI-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP CC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001733878335 1183557338 /nfs/dbraw/zinc/55/73/38/1183557338.db2.gz HRIFBAOVFCTEFI-HNNXBMFYSA-N 2 1 293.455 1.567 10 30 CDEEMP C=CC[NH+]1CCCC2(CN(C(=O)CC[N@H+](C)CCC)C2)C1 ZINC001734196246 1183686872 /nfs/dbraw/zinc/68/68/72/1183686872.db2.gz ABMAYUHKMWHJOU-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001734196246 1183686877 /nfs/dbraw/zinc/68/68/77/1183686877.db2.gz ABMAYUHKMWHJOU-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CC[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)CCC)C2)C1 ZINC001734196246 1183686880 /nfs/dbraw/zinc/68/68/80/1183686880.db2.gz ABMAYUHKMWHJOU-UHFFFAOYSA-N 2 1 293.455 1.829 10 30 CDEEMP C=CCCC[NH2+][C@H](C)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001734345781 1183741603 /nfs/dbraw/zinc/74/16/03/1183741603.db2.gz WQMRZANYSKWZPJ-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001734456965 1183785584 /nfs/dbraw/zinc/78/55/84/1183785584.db2.gz HRKDKUNYAJDQMC-CABCVRRESA-N 2 1 281.444 1.873 10 30 CDEEMP C=CCC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC001734498976 1183800787 /nfs/dbraw/zinc/80/07/87/1183800787.db2.gz AGHHBVKGJTXLOL-HUUCEWRRSA-N 2 1 293.455 1.731 10 30 CDEEMP C=CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001734602883 1183842366 /nfs/dbraw/zinc/84/23/66/1183842366.db2.gz SMEOIYDVUPXHDN-NFOMZHRRSA-N 2 1 279.428 1.483 10 30 CDEEMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000876777291 1165914850 /nfs/dbraw/zinc/91/48/50/1165914850.db2.gz PKVRTUPQUUQQQE-STQMWFEESA-N 2 1 287.835 1.647 10 30 CDEEMP C=C(Cl)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001390718796 976453093 /nfs/dbraw/zinc/45/30/93/976453093.db2.gz KYMAERBFIRRIDX-NEPJUHHUSA-N 2 1 273.808 1.175 10 30 CDEEMP C=C(C)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001569231538 1167556337 /nfs/dbraw/zinc/55/63/37/1167556337.db2.gz RUTPVZGOCZEUBE-AWEZNQCLSA-N 2 1 267.417 1.485 10 30 CDEEMP C=CC[N@H+]1CC[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001567421320 1168055939 /nfs/dbraw/zinc/05/59/39/1168055939.db2.gz QYUZFPRYGMDMOS-MRXNPFEDSA-N 2 1 293.455 1.877 10 30 CDEEMP C=C(Cl)C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566489128 1168305775 /nfs/dbraw/zinc/30/57/75/1168305775.db2.gz QPUSSFHAEHZERU-UHFFFAOYSA-N 2 1 287.835 1.519 10 30 CDEEMP C=C(Cl)C[N@@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001566489128 1168305784 /nfs/dbraw/zinc/30/57/84/1168305784.db2.gz QPUSSFHAEHZERU-UHFFFAOYSA-N 2 1 287.835 1.519 10 30 CDEEMP C#CCC[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001566498227 1168309911 /nfs/dbraw/zinc/30/99/11/1168309911.db2.gz YADPBYQWWWCTNH-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001566498227 1168309917 /nfs/dbraw/zinc/30/99/17/1168309917.db2.gz YADPBYQWWWCTNH-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C#CCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001566498227 1168309924 /nfs/dbraw/zinc/30/99/24/1168309924.db2.gz YADPBYQWWWCTNH-MRXNPFEDSA-N 2 1 293.455 1.711 10 30 CDEEMP C=CCC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001567016189 1168511986 /nfs/dbraw/zinc/51/19/86/1168511986.db2.gz DPFPOGAGFCKKGM-HZSPNIEDSA-N 2 1 267.417 1.387 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H]1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483695191 912876213 /nfs/dbraw/zinc/87/62/13/912876213.db2.gz PSULQTGIWOUJDE-ZIAGYGMSSA-N 2 1 265.401 1.095 10 30 CDEEMP C=CC[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001267269770 897421608 /nfs/dbraw/zinc/42/16/08/897421608.db2.gz PXJXUPHFUNUDKI-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001267269770 897421613 /nfs/dbraw/zinc/42/16/13/897421613.db2.gz PXJXUPHFUNUDKI-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001267269770 897421621 /nfs/dbraw/zinc/42/16/21/897421621.db2.gz PXJXUPHFUNUDKI-AWEZNQCLSA-N 2 1 265.401 1.237 10 30 CDEEMP C=CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001480935783 897754656 /nfs/dbraw/zinc/75/46/56/897754656.db2.gz RUYATGKZSYXEOL-LSDHHAIUSA-N 2 1 281.444 1.731 10 30 CDEEMP C=CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001267639085 899123725 /nfs/dbraw/zinc/12/37/25/899123725.db2.gz XYUBWWHUVMYGFX-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001267639085 899123732 /nfs/dbraw/zinc/12/37/32/899123732.db2.gz XYUBWWHUVMYGFX-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001267639085 899123741 /nfs/dbraw/zinc/12/37/41/899123741.db2.gz XYUBWWHUVMYGFX-CABCVRRESA-N 2 1 279.428 1.437 10 30 CDEEMP C=CCCC[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001267809510 899784318 /nfs/dbraw/zinc/78/43/18/899784318.db2.gz MTHGRAQARUPDPJ-GJZGRUSLSA-N 2 1 281.444 1.921 10 30 CDEEMP C=C(C)C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001267989086 900204811 /nfs/dbraw/zinc/20/48/11/900204811.db2.gz FPMXINSLGQWPRT-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP C=C(Cl)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001481425366 900626070 /nfs/dbraw/zinc/62/60/70/900626070.db2.gz WFLOWDUKBWHSNN-KGLIPLIRSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481425366 900626079 /nfs/dbraw/zinc/62/60/79/900626079.db2.gz WFLOWDUKBWHSNN-KGLIPLIRSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(Cl)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001481425366 900626088 /nfs/dbraw/zinc/62/60/88/900626088.db2.gz WFLOWDUKBWHSNN-KGLIPLIRSA-N 2 1 299.846 1.661 10 30 CDEEMP C=C(C)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481438195 900666216 /nfs/dbraw/zinc/66/62/16/900666216.db2.gz MEUSOLACTPLNRY-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481438195 900666219 /nfs/dbraw/zinc/66/62/19/900666219.db2.gz MEUSOLACTPLNRY-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=C(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481438195 900666221 /nfs/dbraw/zinc/66/62/21/900666221.db2.gz MEUSOLACTPLNRY-CVEARBPZSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CC[NH+]1CC[C@H](CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001481452200 900713359 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10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317147116 957305578 /nfs/dbraw/zinc/30/55/78/957305578.db2.gz NMZSJMUMYFHIDH-CABCVRRESA-N 2 1 279.428 1.485 10 30 CDEEMP CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001317177447 957323002 /nfs/dbraw/zinc/32/30/02/957323002.db2.gz UOAWWVAKQDHHMH-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317177447 957323013 /nfs/dbraw/zinc/32/30/13/957323013.db2.gz UOAWWVAKQDHHMH-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP CC#CC[NH+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001317177447 957323024 /nfs/dbraw/zinc/32/30/24/957323024.db2.gz UOAWWVAKQDHHMH-JKSUJKDBSA-N 2 1 291.439 1.322 10 30 CDEEMP C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001332064727 957421304 /nfs/dbraw/zinc/42/13/04/957421304.db2.gz OUARPGXQRLKTTM-UONOGXRCSA-N 2 1 267.417 1.482 10 30 CDEEMP C=C(C)C[N@@H+](C)CCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317446015 957478695 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C=CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CCC)CC[C@@H]21 ZINC001320110888 958944842 /nfs/dbraw/zinc/94/48/42/958944842.db2.gz IZHDBBBOQXMOMO-HOTGVXAUSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(Cl)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001437306741 962796900 /nfs/dbraw/zinc/79/69/00/962796900.db2.gz HZRJRFXOGUVZQN-UONOGXRCSA-N 2 1 299.846 1.661 10 30 CDEEMP C=CCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+](C)CCC ZINC001480329883 967379329 /nfs/dbraw/zinc/37/93/29/967379329.db2.gz AAOMYJYTUCRGQR-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001480329883 967379338 /nfs/dbraw/zinc/37/93/38/967379338.db2.gz AAOMYJYTUCRGQR-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CCC ZINC001480329883 967379342 /nfs/dbraw/zinc/37/93/42/967379342.db2.gz AAOMYJYTUCRGQR-HNNXBMFYSA-N 2 1 281.444 1.875 10 30 CDEEMP C=CC[NH+]1CCC(NC(=O)c2nc(C[NH3+])sc2C)CC1 ZINC001357397640 969582754 /nfs/dbraw/zinc/58/27/54/969582754.db2.gz TXXMSKIQRJPSHA-UHFFFAOYSA-N 2 1 294.424 1.290 10 30 CDEEMP C=CCCC[C@H]([NH3+])C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC001357981630 969675839 /nfs/dbraw/zinc/67/58/39/969675839.db2.gz QTUONFSULVQPOG-ZDUSSCGKSA-N 2 1 267.417 1.613 10 30 CDEEMP C=CC[NH+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001569642164 1169949296 /nfs/dbraw/zinc/94/92/96/1169949296.db2.gz YGSAPXJWMUWYJX-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001569642164 1169949302 /nfs/dbraw/zinc/94/93/02/1169949302.db2.gz YGSAPXJWMUWYJX-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CC[N@@H+]1CC[C@](C)(NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001569642164 1169949307 /nfs/dbraw/zinc/94/93/07/1169949307.db2.gz YGSAPXJWMUWYJX-ZBFHGGJFSA-N 2 1 279.428 1.627 10 30 CDEEMP C=CCCC[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001569652956 1169954116 /nfs/dbraw/zinc/95/41/16/1169954116.db2.gz CBKZVBZUDILLLD-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652956 1169954119 /nfs/dbraw/zinc/95/41/19/1169954119.db2.gz CBKZVBZUDILLLD-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652956 1169954122 /nfs/dbraw/zinc/95/41/22/1169954122.db2.gz CBKZVBZUDILLLD-HOCLYGCPSA-N 2 1 279.428 1.485 10 30 CDEEMP C=CC[NH2+]CC[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001497207925 973245359 /nfs/dbraw/zinc/24/53/59/973245359.db2.gz MNNISDCAYFKTJI-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C#CCC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001497219426 973250201 /nfs/dbraw/zinc/25/02/01/973250201.db2.gz AKOXTQPLLYIBBN-JKSUJKDBSA-N 2 1 293.455 1.615 10 30 CDEEMP C=C(Cl)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001497654677 973449926 /nfs/dbraw/zinc/44/99/26/973449926.db2.gz LCMPYZRLQZGFSO-ZFDPJTLLSA-N 2 1 285.819 1.485 10 30 CDEEMP CC#CC[NH2+]C[C@H]1CCCCN1C(=O)Cn1cc[nH+]c1C ZINC001501898646 974653589 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C=CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001674976773 1174052911 /nfs/dbraw/zinc/05/29/11/1174052911.db2.gz QOFGQRWJOYWVOZ-ZDUSSCGKSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001676222569 1174194442 /nfs/dbraw/zinc/19/44/42/1174194442.db2.gz UPGPBEIQKBKKKZ-CVEARBPZSA-N 2 1 293.455 1.873 10 30 CDEEMP C=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001676946265 1174299087 /nfs/dbraw/zinc/29/90/87/1174299087.db2.gz WAZVVWWZWGKXLW-ZIAGYGMSSA-N 2 1 276.384 1.252 10 30 CDEEMP C#CCC[N@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001677202226 1174335708 /nfs/dbraw/zinc/33/57/08/1174335708.db2.gz ZMWFBQHYOQUMAO-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)C[N@H+](C)C1CCC1)C(C)C ZINC001677202226 1174335713 /nfs/dbraw/zinc/33/57/13/1174335713.db2.gz ZMWFBQHYOQUMAO-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C#CCC[NH+](C)CCN(C(=O)C[N@@H+](C)C1CCC1)C(C)C ZINC001677202226 1174335717 /nfs/dbraw/zinc/33/57/17/1174335717.db2.gz ZMWFBQHYOQUMAO-UHFFFAOYSA-N 2 1 293.455 1.663 10 30 CDEEMP C=CCC[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570747026 1170266135 /nfs/dbraw/zinc/26/61/35/1170266135.db2.gz AXKBTYLJXPNGKG-HUUCEWRRSA-N 2 1 293.455 1.873 10 30 CDEEMP C#CC[NH+]1CC[C@@]2(NC(=O)C[N@H+](C)C3CCC3)CCC[C@@H]12 ZINC001571501181 1170456638 /nfs/dbraw/zinc/45/66/38/1170456638.db2.gz NOZZXBBZSVCVHV-WBVHZDCISA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001571501181 1170456641 /nfs/dbraw/zinc/45/66/41/1170456641.db2.gz NOZZXBBZSVCVHV-WBVHZDCISA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[N@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001571501181 1170456646 /nfs/dbraw/zinc/45/66/46/1170456646.db2.gz NOZZXBBZSVCVHV-WBVHZDCISA-N 2 1 289.423 1.217 10 30 CDEEMP C#CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001571624918 1170500917 /nfs/dbraw/zinc/50/09/17/1170500917.db2.gz SMSKHDBMNXYKSX-GJZGRUSLSA-N 2 1 293.455 1.613 10 30 CDEEMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CC1(C#N)CC1 ZINC000599300074 343999042 /nfs/dbraw/zinc/99/90/42/343999042.db2.gz MGOSJEXGNRECJE-LSDHHAIUSA-N 2 1 279.428 1.847 10 30 CDEEMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CC1(C#N)CC1 ZINC000599300074 343999045 /nfs/dbraw/zinc/99/90/45/343999045.db2.gz MGOSJEXGNRECJE-LSDHHAIUSA-N 2 1 279.428 1.847 10 30 CDEEMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CC1(C#N)CC1 ZINC000599300074 343999048 /nfs/dbraw/zinc/99/90/48/343999048.db2.gz MGOSJEXGNRECJE-LSDHHAIUSA-N 2 1 279.428 1.847 10 30 CDEEMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437100 342898214 /nfs/dbraw/zinc/89/82/14/342898214.db2.gz IAIREWQEHGMXQE-KBPBESRZSA-N 2 1 280.416 1.340 10 30 CDEEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccnc1C#N ZINC000596361537 343310529 /nfs/dbraw/zinc/31/05/29/343310529.db2.gz VHNARGBGVCXTDN-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccnc1C#N ZINC000596361537 343310531 /nfs/dbraw/zinc/31/05/31/343310531.db2.gz VHNARGBGVCXTDN-ZDUSSCGKSA-N 2 1 275.400 1.637 10 30 CDEEMP C=CCCC[C@H](C)[NH+]1CCN(C(=O)C[NH+](C)C)CC1 ZINC000091538615 342405210 /nfs/dbraw/zinc/40/52/10/342405210.db2.gz PYDJHHAFOKFMIU-AWEZNQCLSA-N 2 1 267.417 1.437 10 30 CDEEMP C=CC[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000629550880 362985330 /nfs/dbraw/zinc/98/53/30/362985330.db2.gz PTYVMXBFOQYRTC-SNVBAGLBSA-N 2 1 250.346 1.661 10 30 CDEEMP C=CC[C@@H]1CC[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000629550880 362985337 /nfs/dbraw/zinc/98/53/37/362985337.db2.gz PTYVMXBFOQYRTC-SNVBAGLBSA-N 2 1 250.346 1.661 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705196 364458245 /nfs/dbraw/zinc/45/82/45/364458245.db2.gz UJONUDPWELZCPE-HNNXBMFYSA-N 2 1 261.369 1.531 10 30 CDEEMP C=CCC[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001663363388 1172680583 /nfs/dbraw/zinc/68/05/83/1172680583.db2.gz IFANUZGFTYMWRF-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001663363388 1172680586 /nfs/dbraw/zinc/68/05/86/1172680586.db2.gz IFANUZGFTYMWRF-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=CCC[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001663363388 1172680590 /nfs/dbraw/zinc/68/05/90/1172680590.db2.gz IFANUZGFTYMWRF-CYBMUJFWSA-N 2 1 253.390 1.095 10 30 CDEEMP C=C(C)[C@H](CO)[N@H+]1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000649336481 392061028 /nfs/dbraw/zinc/06/10/28/392061028.db2.gz ZDWGPZSVTWPRKV-GJZGRUSLSA-N 2 1 270.417 1.356 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655777387 412488116 /nfs/dbraw/zinc/48/81/16/412488116.db2.gz RRRJHRPMWUUFHY-BPUTZDHNSA-N 2 1 280.412 1.420 10 30 CDEEMP C=CC[C@@]1(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)CCC[NH2+]1 ZINC000662855261 413613242 /nfs/dbraw/zinc/61/32/42/413613242.db2.gz WCKAWTUAKUYEIC-BBRMVZONSA-N 2 1 279.428 1.674 10 30 CDEEMP C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662299611 414626310 /nfs/dbraw/zinc/62/63/10/414626310.db2.gz SHZAKRCOTBITGH-KBPBESRZSA-N 2 1 250.386 1.796 10 30 CDEEMP [NH3+]CC#Cc1csc(C[N@@H+](CCO)C2CCCC2)c1 ZINC000043689097 175095826 /nfs/dbraw/zinc/09/58/26/175095826.db2.gz UPDUSIMFTUTHHA-UHFFFAOYSA-N 2 1 278.421 1.795 10 30 CDEEMP CC[NH+]1CCC([N@H+](C)CCC[C@](C)(C#N)NC)CC1 ZINC000045317134 175358316 /nfs/dbraw/zinc/35/83/16/175358316.db2.gz WBUDJBUQXBRUBX-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP CC[NH+]1CCC([N@@H+](C)CCC[C@](C)(C#N)NC)CC1 ZINC000045317134 175358318 /nfs/dbraw/zinc/35/83/18/175358318.db2.gz WBUDJBUQXBRUBX-OAHLLOKOSA-N 2 1 266.433 1.684 10 30 CDEEMP CN(Cc1ccc(C#CC[NH3+])cc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000071190478 176066544 /nfs/dbraw/zinc/06/65/44/176066544.db2.gz DWXFRWAOPGADTB-OAHLLOKOSA-N 2 1 289.398 1.519 10 30 CDEEMP C#CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001666172092 1173114635 /nfs/dbraw/zinc/11/46/35/1173114635.db2.gz BESLHNBZUVDXFC-OAHLLOKOSA-N 2 1 279.428 1.178 10 30 CDEEMP CC#CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CCC)CC1 ZINC001666318572 1173125421 /nfs/dbraw/zinc/12/54/21/1173125421.db2.gz JHHOSSGTZRSUNY-SHTZXODSSA-N 2 1 279.428 1.369 10 30 CDEEMP C#CC[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001669910990 1173629222 /nfs/dbraw/zinc/62/92/22/1173629222.db2.gz SEPLOMQIBJPEPS-AWEZNQCLSA-N 2 1 291.439 1.178 10 30 CDEEMP CC#CCC[N@@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000188316341 329366107 /nfs/dbraw/zinc/36/61/07/329366107.db2.gz NMCHDNOLEXCCGH-GOSISDBHSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188316341 329366112 /nfs/dbraw/zinc/36/61/12/329366112.db2.gz NMCHDNOLEXCCGH-GOSISDBHSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188316341 329366114 /nfs/dbraw/zinc/36/61/14/329366114.db2.gz NMCHDNOLEXCCGH-GOSISDBHSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188316341 329366116 /nfs/dbraw/zinc/36/61/16/329366116.db2.gz NMCHDNOLEXCCGH-GOSISDBHSA-N 2 1 286.419 1.969 10 30 CDEEMP CC#CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188316341 329366117 /nfs/dbraw/zinc/36/61/17/329366117.db2.gz NMCHDNOLEXCCGH-GOSISDBHSA-N 2 1 286.419 1.969 10 30 CDEEMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399517 330255869 /nfs/dbraw/zinc/25/58/69/330255869.db2.gz YZKQZBXGFNYYKO-JKSUJKDBSA-N 2 1 291.439 1.705 10 30 CDEEMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399517 330255871 /nfs/dbraw/zinc/25/58/71/330255871.db2.gz YZKQZBXGFNYYKO-JKSUJKDBSA-N 2 1 291.439 1.705 10 30 CDEEMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528399517 330255873 /nfs/dbraw/zinc/25/58/73/330255873.db2.gz YZKQZBXGFNYYKO-JKSUJKDBSA-N 2 1 291.439 1.705 10 30 CDEEMP C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424167551 330309925 /nfs/dbraw/zinc/30/99/25/330309925.db2.gz CRCFYHXPJPBSCO-XGUBFFRZSA-N 2 1 250.386 1.794 10 30 CDEEMP C=CCCC[NH+]1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001732133128 1159738180 /nfs/dbraw/zinc/73/81/80/1159738180.db2.gz DPLFEOACBAJSDO-AWEZNQCLSA-N 2 1 279.428 1.342 10 30 CDEEMP C#CCC[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001481857313 1159950893 /nfs/dbraw/zinc/95/08/93/1159950893.db2.gz UUZJLAAUWGGONN-CVEARBPZSA-N 2 1 293.455 1.757 10 30 CDEEMP C=CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001700758609 1177117463 /nfs/dbraw/zinc/11/74/63/1177117463.db2.gz CUVZGLIJVTWKLN-QWHCGFSZSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001483320068 1160899562 /nfs/dbraw/zinc/89/95/62/1160899562.db2.gz QUXRAGOVUFTMFI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001483320068 1160899570 /nfs/dbraw/zinc/89/95/70/1160899570.db2.gz QUXRAGOVUFTMFI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=C(C)CC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001483320068 1160899581 /nfs/dbraw/zinc/89/95/81/1160899581.db2.gz QUXRAGOVUFTMFI-KBPBESRZSA-N 2 1 267.417 1.483 10 30 CDEEMP C=CCCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001714798876 1179402661 /nfs/dbraw/zinc/40/26/61/1179402661.db2.gz YQZYBHIDIWZNSD-OAHLLOKOSA-N 2 1 281.444 1.875 10 30 CDEEMP CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609795 520474183 /nfs/dbraw/zinc/47/41/83/520474183.db2.gz VNHDUSHVKMBQAT-UHFFFAOYSA-N 2 1 287.407 1.297 10 30 CDEEMP CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1C#CC[NH3+] ZINC000049609795 520474191 /nfs/dbraw/zinc/47/41/91/520474191.db2.gz VNHDUSHVKMBQAT-UHFFFAOYSA-N 2 1 287.407 1.297 10 30 CDEEMP C[N@H+](Cc1cccc(C#CC[NH3+])c1)C[C@H]1CCCO1 ZINC000049609686 523290241 /nfs/dbraw/zinc/29/02/41/523290241.db2.gz SSDGZNWCAANXJW-MRXNPFEDSA-N 2 1 258.365 1.608 10 30 CDEEMP COc1ccc(C[N@@H+](C)C2CCOCC2)cc1C#CC[NH3+] ZINC000049609339 524002746 /nfs/dbraw/zinc/00/27/46/524002746.db2.gz ISGMVSYOPVFMJQ-UHFFFAOYSA-N 2 1 288.391 1.616 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741707437 576568807 /nfs/dbraw/zinc/56/88/07/576568807.db2.gz FROJVBJKOJSUFB-KKUMJFAQSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000741707437 576568810 /nfs/dbraw/zinc/56/88/10/576568810.db2.gz FROJVBJKOJSUFB-KKUMJFAQSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741707437 576568811 /nfs/dbraw/zinc/56/88/11/576568811.db2.gz FROJVBJKOJSUFB-KKUMJFAQSA-N 2 1 277.412 1.025 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000741707437 576568813 /nfs/dbraw/zinc/56/88/13/576568813.db2.gz FROJVBJKOJSUFB-KKUMJFAQSA-N 2 1 277.412 1.025 10 30 CDEEMP C=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC001690165478 1175392375 /nfs/dbraw/zinc/39/23/75/1175392375.db2.gz ZVINGVUBNGKXDC-QEJZJMRPSA-N 2 1 279.428 1.387 10 30 CDEEMP C=CC[N@H+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001690198006 1175402771 /nfs/dbraw/zinc/40/27/71/1175402771.db2.gz ZIUWAXOUFVLDGV-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001690198006 1175402777 /nfs/dbraw/zinc/40/27/77/1175402777.db2.gz ZIUWAXOUFVLDGV-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CC[NH+](C)C[C@H]1CCCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001690198006 1175402783 /nfs/dbraw/zinc/40/27/83/1175402783.db2.gz ZIUWAXOUFVLDGV-HZPDHXFCSA-N 2 1 293.455 1.685 10 30 CDEEMP C=CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@H+]32)C1 ZINC001690291785 1175427993 /nfs/dbraw/zinc/42/79/93/1175427993.db2.gz AFEAAVZDUHFEQY-VGWMRTNUSA-N 2 1 291.439 1.816 10 30 CDEEMP C=CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221176 613781597 /nfs/dbraw/zinc/78/15/97/613781597.db2.gz MJTYFPUHQQDIOC-AWEZNQCLSA-N 2 1 279.428 1.485 10 30 CDEEMP C#C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000934512243 617614171 /nfs/dbraw/zinc/61/41/71/617614171.db2.gz HVACIGRAYZTBKL-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000934512243 617614178 /nfs/dbraw/zinc/61/41/78/617614178.db2.gz HVACIGRAYZTBKL-MRXNPFEDSA-N 2 1 291.439 1.463 10 30 CDEEMP C#CC[N@H+](C)CCCNCc1cn2ccnc2s1 ZINC000894638461 618999957 /nfs/dbraw/zinc/99/99/57/618999957.db2.gz BLIUGMSVTWYUQI-UHFFFAOYSA-N 2 1 262.382 1.441 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000894638461 618999962 /nfs/dbraw/zinc/99/99/62/618999962.db2.gz BLIUGMSVTWYUQI-UHFFFAOYSA-N 2 1 262.382 1.441 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]Cc1cn2ccnc2s1 ZINC000894638461 618999963 /nfs/dbraw/zinc/99/99/63/618999963.db2.gz BLIUGMSVTWYUQI-UHFFFAOYSA-N 2 1 262.382 1.441 10 30 CDEEMP C#CC[N@H+](C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000894863872 619107585 /nfs/dbraw/zinc/10/75/85/619107585.db2.gz ZCGIMTSPOWXTDC-UHFFFAOYSA-N 2 1 291.355 1.040 10 30 CDEEMP C#CC[N@@H+](C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000894863872 619107586 /nfs/dbraw/zinc/10/75/86/619107586.db2.gz ZCGIMTSPOWXTDC-UHFFFAOYSA-N 2 1 291.355 1.040 10 30 CDEEMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=C)Cl ZINC001772517170 1158552360 /nfs/dbraw/zinc/55/23/60/1158552360.db2.gz PHHNICMGDAVOGD-KGLIPLIRSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=C)Cl ZINC001772517170 1158552365 /nfs/dbraw/zinc/55/23/65/1158552365.db2.gz PHHNICMGDAVOGD-KGLIPLIRSA-N 2 1 297.830 1.273 10 30 CDEEMP C#CCC[NH2+]CCC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001283203563 1158908693 /nfs/dbraw/zinc/90/86/93/1158908693.db2.gz DZHBUXYPFMLTMB-ZDUSSCGKSA-N 2 1 276.384 1.089 10 30 CDEEMP C=CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266860034 1158913000 /nfs/dbraw/zinc/91/30/00/1158913000.db2.gz VQKCBTSGCOMJOT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266860034 1158913003 /nfs/dbraw/zinc/91/30/03/1158913003.db2.gz VQKCBTSGCOMJOT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C=CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266860034 1158913005 /nfs/dbraw/zinc/91/30/05/1158913005.db2.gz VQKCBTSGCOMJOT-JKSUJKDBSA-N 2 1 293.455 1.875 10 30 CDEEMP C#CC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001691990121 1158676301 /nfs/dbraw/zinc/67/63/01/1158676301.db2.gz VMPABQIBRVYLFU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001691990121 1158676304 /nfs/dbraw/zinc/67/63/04/1158676304.db2.gz VMPABQIBRVYLFU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C#CC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)CCC)C1 ZINC001691990121 1158676307 /nfs/dbraw/zinc/67/63/07/1158676307.db2.gz VMPABQIBRVYLFU-HNNXBMFYSA-N 2 1 279.428 1.132 10 30 CDEEMP C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC001622172116 1165717762 /nfs/dbraw/zinc/71/77/62/1165717762.db2.gz PXXWBKOLKHIYQP-UONOGXRCSA-N 2 1 265.401 1.047 10 30 CDEEMP CC#CC[N@@H+](CC)CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001567346848 1168693885 /nfs/dbraw/zinc/69/38/85/1168693885.db2.gz GZGIXOSRKCUALJ-INIZCTEOSA-N 2 1 293.455 1.712 10 30 CDEEMP C#CCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)C(C)C ZINC001568451887 1169295159 /nfs/dbraw/zinc/29/51/59/1169295159.db2.gz YSZKRGNECNJDEX-ARFHVFGLSA-N 2 1 293.455 1.470 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001570464358 1170166106 /nfs/dbraw/zinc/16/61/06/1170166106.db2.gz YNAAWPJPWXZVKU-UONOGXRCSA-N 2 1 267.417 1.531 10 30 CDEEMP C=CC[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001570907803 1170305804 /nfs/dbraw/zinc/30/58/04/1170305804.db2.gz OMWOTXMNTGJCRR-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001570907803 1170305810 /nfs/dbraw/zinc/30/58/10/1170305810.db2.gz OMWOTXMNTGJCRR-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001570907803 1170305817 /nfs/dbraw/zinc/30/58/17/1170305817.db2.gz OMWOTXMNTGJCRR-ZDUSSCGKSA-N 2 1 267.417 1.341 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001690584304 1175511858 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C=CCCC[NH+]1CC[C@H](N(C)C(=O)C[N@H+](C)CCC)C1 ZINC001714022577 1178932527 /nfs/dbraw/zinc/93/25/27/1178932527.db2.gz URJSGRWJDYTHST-HNNXBMFYSA-N 2 1 281.444 1.827 10 30 CDEEMP C=C(C)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001714250305 1179045987 /nfs/dbraw/zinc/04/59/87/1179045987.db2.gz CNTZSCYSAUOXQY-GJZGRUSLSA-N 2 1 281.444 1.777 10 30 CDEEMP C=C(C)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001714334886 1179090091 /nfs/dbraw/zinc/09/00/91/1179090091.db2.gz FFBOBWKISXIDEJ-ZDUSSCGKSA-N 2 1 253.390 1.093 10 30 CDEEMP C=C(C)CC[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001714444022 1179142362 /nfs/dbraw/zinc/14/23/62/1179142362.db2.gz KHFKQHFAQBGNPH-CABCVRRESA-N 2 1 281.444 1.636 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001714816867 1179410009 /nfs/dbraw/zinc/41/00/09/1179410009.db2.gz RUCZFGJPQZXYJK-DZGCQCFKSA-N 2 1 279.428 1.341 10 30 CDEEMP C=CCC[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001715648266 1179752668 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C#CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCC ZINC001716519923 1180263821 /nfs/dbraw/zinc/26/38/21/1180263821.db2.gz IEFJSIUIWKWHJB-CVEARBPZSA-N 2 1 293.455 1.616 10 30 CDEEMP C=CCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001716852362 1180440589 /nfs/dbraw/zinc/44/05/89/1180440589.db2.gz DHQWSAFVJRAHQC-MRXNPFEDSA-N 2 1 279.428 1.629 10 30 CDEEMP C#CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2 ZINC001717000341 1180497337 /nfs/dbraw/zinc/49/73/37/1180497337.db2.gz MJUIHVIGUJZICW-MUJYYYPQSA-N 2 1 291.439 1.319 10 30 CDEEMP C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001717000341 1180497346 /nfs/dbraw/zinc/49/73/46/1180497346.db2.gz MJUIHVIGUJZICW-MUJYYYPQSA-N 2 1 291.439 1.319 10 30 CDEEMP C#CC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)C2 ZINC001717000341 1180497348 /nfs/dbraw/zinc/49/73/48/1180497348.db2.gz MJUIHVIGUJZICW-MUJYYYPQSA-N 2 1 291.439 1.319 10 30 CDEEMP C=CCCC[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@@H]1C ZINC001717796658 1180860042 /nfs/dbraw/zinc/86/00/42/1180860042.db2.gz SYZKEUCKGYEYEN-CABCVRRESA-N 2 1 290.411 1.737 10 30 CDEEMP C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2C)C1 ZINC001717823074 1180880687 /nfs/dbraw/zinc/88/06/87/1180880687.db2.gz AOYRFIQSJGBKAR-HIFRSBDPSA-N 2 1 288.395 1.184 10 30 CDEEMP CC#CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C(C)C)C1CC1 ZINC001723297260 1181533114 /nfs/dbraw/zinc/53/31/14/1181533114.db2.gz FMPUBMRAZYPZSM-HZPDHXFCSA-N 2 1 291.439 1.367 10 30 CDEEMP C#CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC001723875042 1181613790 /nfs/dbraw/zinc/61/37/90/1181613790.db2.gz KNNHSLNFKRIEPY-LSDHHAIUSA-N 2 1 279.428 1.319 10 30 CDEEMP C=C(C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724307111 1181661843 /nfs/dbraw/zinc/66/18/43/1181661843.db2.gz RVJMCLMXAHLAEN-OAHLLOKOSA-N 2 1 293.455 1.733 10 30 CDEEMP C=CCC[NH+]1C[C@@H]2CCCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001724659301 1181716063 /nfs/dbraw/zinc/71/60/63/1181716063.db2.gz NCKNNWHOHNSPTE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001724659301 1181716069 /nfs/dbraw/zinc/71/60/69/1181716069.db2.gz NCKNNWHOHNSPTE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001724659301 1181716077 /nfs/dbraw/zinc/71/60/77/1181716077.db2.gz NCKNNWHOHNSPTE-JKSUJKDBSA-N 2 1 293.455 1.827 10 30 CDEEMP C=C(C)C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001725406917 1181991650 /nfs/dbraw/zinc/99/16/50/1181991650.db2.gz FHEFFIYARNGMNC-HUUCEWRRSA-N 2 1 281.444 1.779 10 30 CDEEMP CC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CCC)C1 ZINC001725600513 1182068362 /nfs/dbraw/zinc/06/83/62/1182068362.db2.gz WRCVDCNSCCYNME-LSDHHAIUSA-N 2 1 279.428 1.321 10 30 CDEEMP C#CCC[N@H+](C)CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731791871 1182582074 /nfs/dbraw/zinc/58/20/74/1182582074.db2.gz MOSBNKUBBWFITK-GJZGRUSLSA-N 2 1 279.428 1.178 10 30 CDEEMP C=C(C)C[N@H+](CC)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001731806067 1182596623 /nfs/dbraw/zinc/59/66/23/1182596623.db2.gz TYOFNVPFPVBKSN-UHFFFAOYSA-N 2 1 294.399 1.364 10 30 CDEEMP C=C(C)C[N@@H+](CC)CCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001731806067 1182596628 /nfs/dbraw/zinc/59/66/28/1182596628.db2.gz TYOFNVPFPVBKSN-UHFFFAOYSA-N 2 1 294.399 1.364 10 30 CDEEMP C=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001732004699 1182721714 /nfs/dbraw/zinc/72/17/14/1182721714.db2.gz VLPAOURBIHFEAN-AWEZNQCLSA-N 2 1 281.444 1.729 10 30 CDEEMP C#CCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC[NH+](C)C)C1 ZINC001732076402 1182753626 /nfs/dbraw/zinc/75/36/26/1182753626.db2.gz NQZHXXNLNAVYNJ-OAHLLOKOSA-N 2 1 279.428 1.274 10 30 CDEEMP C#CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001732318069 1182904259 /nfs/dbraw/zinc/90/42/59/1182904259.db2.gz CLCNSJFPJIAHEN-OAHLLOKOSA-N 2 1 299.418 1.367 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C(C)C ZINC001732554161 1183005757 /nfs/dbraw/zinc/00/57/57/1183005757.db2.gz RGSWDJYIMVSLKX-GJZGRUSLSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C(C)C ZINC001732554161 1183005761 /nfs/dbraw/zinc/00/57/61/1183005761.db2.gz RGSWDJYIMVSLKX-GJZGRUSLSA-N 2 1 297.443 1.014 10 30 CDEEMP C=C(C)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001732571266 1183015382 /nfs/dbraw/zinc/01/53/82/1183015382.db2.gz ARANMASVYNTVRV-LSDHHAIUSA-N 2 1 281.444 1.635 10 30 CDEEMP CC#CC[N@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)CC1 ZINC001733758796 1183521141 /nfs/dbraw/zinc/52/11/41/1183521141.db2.gz BSJIHZXUNLYUII-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001733758796 1183521166 /nfs/dbraw/zinc/52/11/66/1183521166.db2.gz BSJIHZXUNLYUII-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP CC#CC[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001733758796 1183521197 /nfs/dbraw/zinc/52/11/97/1183521197.db2.gz BSJIHZXUNLYUII-HNNXBMFYSA-N 2 1 291.439 1.465 10 30 CDEEMP C=CC[NH+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[N@H+](C(C)(C)C)C1 ZINC001734054172 1183639225 /nfs/dbraw/zinc/63/92/25/1183639225.db2.gz RDCVAEWNDYIOLH-XJKSGUPXSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[N@@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001734054172 1183639226 /nfs/dbraw/zinc/63/92/26/1183639226.db2.gz RDCVAEWNDYIOLH-XJKSGUPXSA-N 2 1 299.434 1.821 10 30 CDEEMP C=CC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001734054172 1183639228 /nfs/dbraw/zinc/63/92/28/1183639228.db2.gz RDCVAEWNDYIOLH-XJKSGUPXSA-N 2 1 299.434 1.821 10 30 CDEEMP C=C(C)C[NH+]1C[C@H](NC(=O)C[N@H+](C)CCC)C(C)(C)C1 ZINC001734153666 1183676563 /nfs/dbraw/zinc/67/65/63/1183676563.db2.gz JMYLKAMJUJGMPR-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001734153666 1183676566 /nfs/dbraw/zinc/67/65/66/1183676566.db2.gz JMYLKAMJUJGMPR-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CCC)C(C)(C)C1 ZINC001734153666 1183676572 /nfs/dbraw/zinc/67/65/72/1183676572.db2.gz JMYLKAMJUJGMPR-AWEZNQCLSA-N 2 1 281.444 1.731 10 30 CDEEMP C=C(C)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001734221957 1183696329 /nfs/dbraw/zinc/69/63/29/1183696329.db2.gz MKMMDWLTCWSHIF-HDJSIYSDSA-N 2 1 276.384 1.252 10 30 CDEEMP